smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C[NH2+]C1CCN(CC2CCCC2)CC1)c1ccc(F)cc1 ZINC000525864306 335032050 /nfs/dbraw/zinc/03/20/50/335032050.db2.gz COHOEIMEZKAYHQ-INIZCTEOSA-N 1 3 318.480 4.173 20 0 DIADHO C[C@@H](CNC1CC[NH+](CC2CCCC2)CC1)c1ccc(F)cc1 ZINC000525864306 335032052 /nfs/dbraw/zinc/03/20/52/335032052.db2.gz COHOEIMEZKAYHQ-INIZCTEOSA-N 1 3 318.480 4.173 20 0 DIADHO CC[C@H](N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000274927690 130275090 /nfs/dbraw/zinc/27/50/90/130275090.db2.gz QDXRQFYLVCTKKQ-QMMLZNLJSA-N 1 3 323.484 4.033 20 0 DIADHO CC[C@H](N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000274927690 130275092 /nfs/dbraw/zinc/27/50/92/130275092.db2.gz QDXRQFYLVCTKKQ-QMMLZNLJSA-N 1 3 323.484 4.033 20 0 DIADHO C[NH+](C)Cc1ccc(CN[C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000171132473 332859973 /nfs/dbraw/zinc/85/99/73/332859973.db2.gz AUCRNNPZMNUSOD-IBGZPJMESA-N 1 3 314.860 4.179 20 0 DIADHO Cc1nc(C(C)C)ccc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000559145581 331981561 /nfs/dbraw/zinc/98/15/61/331981561.db2.gz KXQGVVGNANAPMU-UHFFFAOYSA-N 1 3 317.521 4.067 20 0 DIADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNCc3ccccc3)cc2)C1 ZINC000518266906 332003168 /nfs/dbraw/zinc/00/31/68/332003168.db2.gz LSAPPAJGVJVOIQ-RTBURBONSA-N 1 3 322.496 4.454 20 0 DIADHO C[N@@H+]1CC[C@H](NC/C=C/c2ccccc2)C[C@@H]1c1ccccc1 ZINC000518407647 332027341 /nfs/dbraw/zinc/02/73/41/332027341.db2.gz HONSJOIAGSPZEK-FFLQPZBESA-N 1 3 306.453 4.125 20 0 DIADHO C[N@H+]1CC[C@H](NC/C=C/c2ccccc2)C[C@@H]1c1ccccc1 ZINC000518407647 332027342 /nfs/dbraw/zinc/02/73/42/332027342.db2.gz HONSJOIAGSPZEK-FFLQPZBESA-N 1 3 306.453 4.125 20 0 DIADHO FC1(F)CCCC[C@@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000449378010 332095047 /nfs/dbraw/zinc/09/50/47/332095047.db2.gz QBGZPZDWCMFGFY-OAHLLOKOSA-N 1 3 314.464 4.199 20 0 DIADHO FC1(F)CCCC[C@@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449378010 332095048 /nfs/dbraw/zinc/09/50/48/332095048.db2.gz QBGZPZDWCMFGFY-OAHLLOKOSA-N 1 3 314.464 4.199 20 0 DIADHO C1CCC2(C1)CCC[C@H]2[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000559774580 332280950 /nfs/dbraw/zinc/28/09/50/332280950.db2.gz SFNPLOPYIRXNOD-LJQANCHMSA-N 1 3 304.522 4.486 20 0 DIADHO CC(C)(C)N1CCC([NH2+]Cc2csc3ccccc23)CC1 ZINC000048327215 332303214 /nfs/dbraw/zinc/30/32/14/332303214.db2.gz OGAGVCLJSYLKCX-UHFFFAOYSA-N 1 3 302.487 4.254 20 0 DIADHO CC(C)[N@H+](C)CC1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000560336464 332331764 /nfs/dbraw/zinc/33/17/64/332331764.db2.gz FWAWLDCPCXQWLM-OAHLLOKOSA-N 1 3 308.897 4.453 20 0 DIADHO CC(C)[N@@H+](C)CC1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000560336464 332331765 /nfs/dbraw/zinc/33/17/65/332331765.db2.gz FWAWLDCPCXQWLM-OAHLLOKOSA-N 1 3 308.897 4.453 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1ccsc1 ZINC000050338873 332351154 /nfs/dbraw/zinc/35/11/54/332351154.db2.gz OIJUJMVSQOUWMR-OAHLLOKOSA-N 1 3 302.487 4.441 20 0 DIADHO CC(C)[C@H](Cc1ccccc1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000427692167 332488916 /nfs/dbraw/zinc/48/89/16/332488916.db2.gz ZPUXXQPDCZVVAK-NRFANRHFSA-N 1 3 314.517 4.250 20 0 DIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)c2cccs2)c1 ZINC000177977278 333133702 /nfs/dbraw/zinc/13/37/02/333133702.db2.gz HCURGTQTJVSQNL-OAHLLOKOSA-N 1 3 302.487 4.439 20 0 DIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2cccs2)c1 ZINC000177977278 333133704 /nfs/dbraw/zinc/13/37/04/333133704.db2.gz HCURGTQTJVSQNL-OAHLLOKOSA-N 1 3 302.487 4.439 20 0 DIADHO CCC[NH+]1CCC(CNCc2cccc(Cl)c2Cl)CC1 ZINC000518778158 333163679 /nfs/dbraw/zinc/16/36/79/333163679.db2.gz BEWVZHUIEXTGQL-UHFFFAOYSA-N 1 3 315.288 4.205 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-c3ccccc3)cc2)C1 ZINC000320684162 335123624 /nfs/dbraw/zinc/12/36/24/335123624.db2.gz PHGUAZHIAKMYSN-ROUUACIJSA-N 1 3 308.469 4.346 20 0 DIADHO Cc1ccc([C@@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000390756997 333324351 /nfs/dbraw/zinc/32/43/51/333324351.db2.gz WXEQOQRNQNMWFQ-UYAOXDASSA-N 1 3 308.469 4.168 20 0 DIADHO Cc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000390756997 333324352 /nfs/dbraw/zinc/32/43/52/333324352.db2.gz WXEQOQRNQNMWFQ-UYAOXDASSA-N 1 3 308.469 4.168 20 0 DIADHO CCCC[N@H+](C)CC1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC000521428791 333382093 /nfs/dbraw/zinc/38/20/93/333382093.db2.gz UWHWBRAHENQWER-INIZCTEOSA-N 1 3 306.469 4.331 20 0 DIADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC000521428791 333382094 /nfs/dbraw/zinc/38/20/94/333382094.db2.gz UWHWBRAHENQWER-INIZCTEOSA-N 1 3 306.469 4.331 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(C)s1 ZINC000021816393 333390691 /nfs/dbraw/zinc/39/06/91/333390691.db2.gz GMLBGTBOYTWKKQ-UHFFFAOYSA-N 1 3 302.487 4.188 20 0 DIADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1cccc(C(F)(F)F)c1 ZINC000563153923 333398468 /nfs/dbraw/zinc/39/84/68/333398468.db2.gz KIVNKJKQGPAWQP-LBPRGKRZSA-N 1 3 308.347 4.015 20 0 DIADHO CC[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)CC(F)(F)F ZINC000414274248 333931905 /nfs/dbraw/zinc/93/19/05/333931905.db2.gz RLMBCHFZOHOCMO-AWEZNQCLSA-N 1 3 320.443 4.352 20 0 DIADHO C[C@H](C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)CC(F)(F)F ZINC000414284097 333933413 /nfs/dbraw/zinc/93/34/13/333933413.db2.gz QBZBDTZZUHRCLO-YCPHGPKFSA-N 1 3 320.443 4.208 20 0 DIADHO CC(C)COc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414815418 334106441 /nfs/dbraw/zinc/10/64/41/334106441.db2.gz XMXXTBPILDHTTL-MRXNPFEDSA-N 1 3 312.457 4.031 20 0 DIADHO Cc1ccnc([C@@H](C)NC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000286204347 334151807 /nfs/dbraw/zinc/15/18/07/334151807.db2.gz RMBQVMUQNGXRSI-LMDPOFIKSA-N 1 3 315.505 4.084 20 0 DIADHO Cc1cc(CNCc2ccccc2C[N@@H+](C)C(C)C)cs1 ZINC000294956621 334214772 /nfs/dbraw/zinc/21/47/72/334214772.db2.gz DOHYHDIAORCHBP-UHFFFAOYSA-N 1 3 302.487 4.187 20 0 DIADHO Cc1cc(CNCc2ccccc2C[N@H+](C)C(C)C)cs1 ZINC000294956621 334214774 /nfs/dbraw/zinc/21/47/74/334214774.db2.gz DOHYHDIAORCHBP-UHFFFAOYSA-N 1 3 302.487 4.187 20 0 DIADHO CCCCc1oc2ccccc2c1C[NH2+]C[C@H]1CCN(CC)C1 ZINC000320382367 334248789 /nfs/dbraw/zinc/24/87/89/334248789.db2.gz VUZUBWZRLUDDQD-MRXNPFEDSA-N 1 3 314.473 4.207 20 0 DIADHO [NH3+]CCC[C@H](NCc1csc2ccccc12)c1ccccc1 ZINC000415062166 334262350 /nfs/dbraw/zinc/26/23/50/334262350.db2.gz ZXEHTHFTHCYWOW-SFHVURJKSA-N 1 3 310.466 4.471 20 0 DIADHO C[C@@H](N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000415117071 334284013 /nfs/dbraw/zinc/28/40/13/334284013.db2.gz FWALRRLGILVVJB-ZMYBRWDISA-N 1 3 314.860 4.484 20 0 DIADHO C[NH+](C)Cc1ccc(CN[C@@H]2CCc3c2cccc3Cl)cc1 ZINC000531944356 334300187 /nfs/dbraw/zinc/30/01/87/334300187.db2.gz INICFVYQNLEHAW-LJQANCHMSA-N 1 3 314.860 4.179 20 0 DIADHO CC(C)c1ccc2c(c1)[C@@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000534908387 334345655 /nfs/dbraw/zinc/34/56/55/334345655.db2.gz JIMXKEDKEJMDNU-IERDGZPVSA-N 1 3 312.501 4.261 20 0 DIADHO CC(C)c1ccc2c(c1)[C@@H](NC[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000534908387 334345656 /nfs/dbraw/zinc/34/56/56/334345656.db2.gz JIMXKEDKEJMDNU-IERDGZPVSA-N 1 3 312.501 4.261 20 0 DIADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)c2ccccc21 ZINC000343658944 335185842 /nfs/dbraw/zinc/18/58/42/335185842.db2.gz RVLSMOURQRZKGP-IERDGZPVSA-N 1 3 321.468 4.136 20 0 DIADHO CC[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc2cc(OC)ccc2c1 ZINC000344302002 335238474 /nfs/dbraw/zinc/23/84/74/335238474.db2.gz SFHZNWYAXGJGIW-NRFANRHFSA-N 1 3 324.468 4.151 20 0 DIADHO Clc1ccc([C@@H](CC2CC2)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000345682959 335341460 /nfs/dbraw/zinc/34/14/60/335341460.db2.gz NYAGBTZIDFBSLZ-HNAYVOBHSA-N 1 3 318.892 4.255 20 0 DIADHO Clc1ccc([C@@H](CC2CC2)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000345682959 335341462 /nfs/dbraw/zinc/34/14/62/335341462.db2.gz NYAGBTZIDFBSLZ-HNAYVOBHSA-N 1 3 318.892 4.255 20 0 DIADHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000532511525 336252972 /nfs/dbraw/zinc/25/29/72/336252972.db2.gz HSSHMGHZUNOOJS-OAHLLOKOSA-N 1 3 310.432 4.272 20 0 DIADHO c1sc(C[NH2+]CCCN2CCCCC2)cc1-c1ccccc1 ZINC000314743598 336382856 /nfs/dbraw/zinc/38/28/56/336382856.db2.gz SDADUFYPNCMERJ-UHFFFAOYSA-N 1 3 314.498 4.381 20 0 DIADHO CC1CC[NH+](CCCCN[C@@H]2CCCOc3ccccc32)CC1 ZINC000359946180 336694705 /nfs/dbraw/zinc/69/47/05/336694705.db2.gz YWKHCZMQFFZDDM-LJQANCHMSA-N 1 3 316.489 4.002 20 0 DIADHO CC(C)(C)[NH+]1CCC(NC2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000377627614 337056783 /nfs/dbraw/zinc/05/67/83/337056783.db2.gz PZAYPEZAZNZJNX-UHFFFAOYSA-N 1 3 322.443 4.063 20 0 DIADHO CC(C)CN1CCC[C@H](C[NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000582466424 337093466 /nfs/dbraw/zinc/09/34/66/337093466.db2.gz QGAUOKCNBWFLLJ-RTBURBONSA-N 1 3 302.506 4.138 20 0 DIADHO CC(C)C[N@@H+]1CCC[C@H](CNCC[C@@H](C)c2ccccc2)C1 ZINC000582466424 337093467 /nfs/dbraw/zinc/09/34/67/337093467.db2.gz QGAUOKCNBWFLLJ-RTBURBONSA-N 1 3 302.506 4.138 20 0 DIADHO CC(C)C[N@H+]1CCC[C@H](CNCC[C@@H](C)c2ccccc2)C1 ZINC000582466424 337093468 /nfs/dbraw/zinc/09/34/68/337093468.db2.gz QGAUOKCNBWFLLJ-RTBURBONSA-N 1 3 302.506 4.138 20 0 DIADHO C[C@@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccncc1 ZINC000173896917 337138876 /nfs/dbraw/zinc/13/88/76/337138876.db2.gz JQZJVBWUUHBUQK-GOSISDBHSA-N 1 3 323.484 4.164 20 0 DIADHO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCCN1CCCCC1 ZINC000178409542 337164542 /nfs/dbraw/zinc/16/45/42/337164542.db2.gz DAJFTDZYAFTCNA-CQSZACIVSA-N 1 3 309.523 4.102 20 0 DIADHO CC(C)N1CC[C@@H](C[NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000392193143 337179224 /nfs/dbraw/zinc/17/92/24/337179224.db2.gz IJSJHZGTOZPAKY-IBGZPJMESA-N 1 3 322.496 4.138 20 0 DIADHO Cc1ccc(C)c([C@H](NCC2=CC[N@H+](C)CC2)c2ccccc2)c1 ZINC000392283755 337199975 /nfs/dbraw/zinc/19/99/75/337199975.db2.gz TYUVTIMKIKGSKC-JOCHJYFZSA-N 1 3 320.480 4.244 20 0 DIADHO Cc1ccc(C)c([C@H](NCC2=CC[N@@H+](C)CC2)c2ccccc2)c1 ZINC000392283755 337199976 /nfs/dbraw/zinc/19/99/76/337199976.db2.gz TYUVTIMKIKGSKC-JOCHJYFZSA-N 1 3 320.480 4.244 20 0 DIADHO CC(C)(C)c1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)s1 ZINC000149738035 337275497 /nfs/dbraw/zinc/27/54/97/337275497.db2.gz KURKJFFHFOMBGN-UHFFFAOYSA-N 1 3 308.535 4.398 20 0 DIADHO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000536819785 337603612 /nfs/dbraw/zinc/60/36/12/337603612.db2.gz GCTKSIMDMQCSDT-HQRMLTQVSA-N 1 3 315.505 4.102 20 0 DIADHO Cc1ccc([C@@H](C)[NH2+]CC2CCN(c3ccncc3)CC2)c(C)c1 ZINC000536826666 337604310 /nfs/dbraw/zinc/60/43/10/337604310.db2.gz LFYYDZYNZXREFI-GOSISDBHSA-N 1 3 323.484 4.266 20 0 DIADHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000422726565 337684354 /nfs/dbraw/zinc/68/43/54/337684354.db2.gz FIMULDSHAWGMPN-UWVGGRQHSA-N 1 3 307.240 4.301 20 0 DIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)N[C@H](C)C[C@H](C)[NH3+] ZINC000422739264 337684747 /nfs/dbraw/zinc/68/47/47/337684747.db2.gz KXBWGZVHDQYAMO-TUAOUCFPSA-N 1 3 321.465 4.034 20 0 DIADHO C[C@@H](CCC[NH3+])N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000422931239 337692040 /nfs/dbraw/zinc/69/20/40/337692040.db2.gz BFKCKACMISLMFP-KSSFIOAISA-N 1 3 302.849 4.146 20 0 DIADHO CCC1(CC)CCC([NH2+][C@@H](C)c2ccc(CN)nc2C)CC1 ZINC000423073735 337698248 /nfs/dbraw/zinc/69/82/48/337698248.db2.gz SCOIDVIMGBKNSG-AWEZNQCLSA-N 1 3 303.494 4.248 20 0 DIADHO Cc1ccccc1[C@H](CC(F)(F)F)N[C@@H](C)CCCC[NH3+] ZINC000423086336 337698846 /nfs/dbraw/zinc/69/88/46/337698846.db2.gz LRJJLYAJRKLVAP-ZFWWWQNUSA-N 1 3 302.384 4.096 20 0 DIADHO Clc1cccc([C@H]2C[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423093236 337698943 /nfs/dbraw/zinc/69/89/43/337698943.db2.gz GQULQEKEAQEFAR-XFUTXVRSSA-N 1 3 318.892 4.096 20 0 DIADHO Clc1cccc([C@H]2CCC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000423167291 337702234 /nfs/dbraw/zinc/70/22/34/337702234.db2.gz RYGWLMZGOWNGNR-OTLGHNOOSA-N 1 3 318.892 4.239 20 0 DIADHO Clc1ccc([C@H]2CCCCC[C@H]2[NH2+]C2CCNCC2)cc1 ZINC000423189762 337702993 /nfs/dbraw/zinc/70/29/93/337702993.db2.gz RMUKZJJBYWCFIV-QZTJIDSGSA-N 1 3 306.881 4.098 20 0 DIADHO Clc1ccc([C@H]2CCCCC[C@@H]2[NH2+]C2CCNCC2)cc1 ZINC000423189761 337703105 /nfs/dbraw/zinc/70/31/05/337703105.db2.gz RMUKZJJBYWCFIV-MSOLQXFVSA-N 1 3 306.881 4.098 20 0 DIADHO C[C@H](NCC[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1Cl ZINC000423239182 337706704 /nfs/dbraw/zinc/70/67/04/337706704.db2.gz AXVTWYSWPUTLFF-UWVGGRQHSA-N 1 3 321.679 4.297 20 0 DIADHO CC[C@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cc(C)ccc1OC ZINC000423293973 337710462 /nfs/dbraw/zinc/71/04/62/337710462.db2.gz SRZIXMZKMBBJKO-KXBFYZLASA-N 1 3 312.457 4.264 20 0 DIADHO Cc1ccc([C@H](NCc2ccc3c(c2)C[NH2+]C3)C2CCCC2)o1 ZINC000423364403 337714708 /nfs/dbraw/zinc/71/47/08/337714708.db2.gz AOJJTFPGZUHXIR-HXUWFJFHSA-N 1 3 310.441 4.212 20 0 DIADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc2cc(Cl)ccc2o1 ZINC000423424748 337717015 /nfs/dbraw/zinc/71/70/15/337717015.db2.gz CTSRSINZXQSJLL-KNXALSJPSA-N 1 3 318.848 4.125 20 0 DIADHO CC(C)Oc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000423378919 337717435 /nfs/dbraw/zinc/71/74/35/337717435.db2.gz XACYFQVHSKWSOW-NWANDNLSSA-N 1 3 310.869 4.048 20 0 DIADHO CC(C)Oc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000423378914 337717478 /nfs/dbraw/zinc/71/74/78/337717478.db2.gz XACYFQVHSKWSOW-AEGPPILISA-N 1 3 310.869 4.048 20 0 DIADHO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000423377623 337717525 /nfs/dbraw/zinc/71/75/25/337717525.db2.gz VUARJUBOLGNCNB-BZUAXINKSA-N 1 3 313.489 4.084 20 0 DIADHO CC[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000423497718 337723207 /nfs/dbraw/zinc/72/32/07/337723207.db2.gz HIJVTTXKTKJRJN-RTBURBONSA-N 1 3 300.421 4.347 20 0 DIADHO [NH3+]CCC[C@@H](N[C@@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000423499894 337723315 /nfs/dbraw/zinc/72/33/15/337723315.db2.gz BOJBUEFMMFTQCE-WOJBJXKFSA-N 1 3 312.432 4.273 20 0 DIADHO C[C@@H](NCCC[C@H]1CCC[NH2+]1)c1cc(Cl)sc1Cl ZINC000423481314 337725036 /nfs/dbraw/zinc/72/50/36/337725036.db2.gz NZSGCJPWEOVYRP-ZJUUUORDSA-N 1 3 307.290 4.238 20 0 DIADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc(Cl)sc1Cl ZINC000423538210 337725075 /nfs/dbraw/zinc/72/50/75/337725075.db2.gz FUCQUBUCAQDAGR-UKKRHICBSA-N 1 3 319.301 4.094 20 0 DIADHO c1cc2ccc(CNCc3ccc(C[NH+]4CCCC4)cc3)cc2[nH]1 ZINC000527630971 337752926 /nfs/dbraw/zinc/75/29/26/337752926.db2.gz CZQWYRYDJDXMTD-UHFFFAOYSA-N 1 3 319.452 4.054 20 0 DIADHO CCOc1ccc(Cl)cc1[C@@H](C)NCC1CC[NH+](CC)CC1 ZINC000515007663 337977591 /nfs/dbraw/zinc/97/75/91/337977591.db2.gz RSTXZGGSFLXYDJ-CQSZACIVSA-N 1 3 324.896 4.121 20 0 DIADHO CN(C)[C@@H]1CCC[N@H+](CCCc2cccc3ccccc32)CC1 ZINC000429534474 338083317 /nfs/dbraw/zinc/08/33/17/338083317.db2.gz DUTLNKOPQZGLSE-HXUWFJFHSA-N 1 3 310.485 4.189 20 0 DIADHO CN(C)[C@@H]1CCC[N@@H+](CCCc2cccc3ccccc32)CC1 ZINC000429534474 338083318 /nfs/dbraw/zinc/08/33/18/338083318.db2.gz DUTLNKOPQZGLSE-HXUWFJFHSA-N 1 3 310.485 4.189 20 0 DIADHO C[NH+](C)[C@@H]1CCCN(CCCc2cccc3ccccc32)CC1 ZINC000429534474 338083319 /nfs/dbraw/zinc/08/33/19/338083319.db2.gz DUTLNKOPQZGLSE-HXUWFJFHSA-N 1 3 310.485 4.189 20 0 DIADHO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000430714765 338112073 /nfs/dbraw/zinc/11/20/73/338112073.db2.gz PMGJROYGWGFXNT-POAQFYNOSA-N 1 3 315.505 4.102 20 0 DIADHO CN(C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000436267684 338264517 /nfs/dbraw/zinc/26/45/17/338264517.db2.gz QXEWQTDTSLMQDS-NHCUHLMSSA-N 1 3 308.469 4.174 20 0 DIADHO CC1(C)CC([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC(C)(C)N1 ZINC000436269101 338264579 /nfs/dbraw/zinc/26/45/79/338264579.db2.gz WZFRDQQVCPHECV-SJORKVTESA-N 1 3 300.490 4.222 20 0 DIADHO CC1(C)CC([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC(C)(C)N1 ZINC000436269098 338264635 /nfs/dbraw/zinc/26/46/35/338264635.db2.gz WZFRDQQVCPHECV-DLBZAZTESA-N 1 3 300.490 4.222 20 0 DIADHO CC(C)(C)[NH+]1CCC(N[C@H]2C[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000436294693 338266990 /nfs/dbraw/zinc/26/69/90/338266990.db2.gz GJXHBFXGZVYYKX-RZDIXWSQSA-N 1 3 320.908 4.439 20 0 DIADHO CC1(C)CCc2ccccc2[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000436307936 338268321 /nfs/dbraw/zinc/26/83/21/338268321.db2.gz OTVQBBKUBNIBOY-QWFCFKBJSA-N 1 3 312.501 4.307 20 0 DIADHO CC1(C)CCc2ccccc2[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000436307936 338268322 /nfs/dbraw/zinc/26/83/22/338268322.db2.gz OTVQBBKUBNIBOY-QWFCFKBJSA-N 1 3 312.501 4.307 20 0 DIADHO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000437778908 338321004 /nfs/dbraw/zinc/32/10/04/338321004.db2.gz BGCHNJXCMDCXOK-JFIYKMOQSA-N 1 3 318.480 4.172 20 0 DIADHO C[C@H]1CCC[N@H+](CCCCNCc2ccc(Cl)cc2F)C1 ZINC000438089361 338330812 /nfs/dbraw/zinc/33/08/12/338330812.db2.gz UYJAZWNJDHSVLY-AWEZNQCLSA-N 1 3 312.860 4.081 20 0 DIADHO C[C@H]1CCC[N@@H+](CCCCNCc2ccc(Cl)cc2F)C1 ZINC000438089361 338330813 /nfs/dbraw/zinc/33/08/13/338330813.db2.gz UYJAZWNJDHSVLY-AWEZNQCLSA-N 1 3 312.860 4.081 20 0 DIADHO CCN(CC)C[C@@H]1CC[N@@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000438112807 338332723 /nfs/dbraw/zinc/33/27/23/338332723.db2.gz IGMZTACHNBWPAG-SESVDKBCSA-N 1 3 314.517 4.161 20 0 DIADHO CCN(CC)C[C@@H]1CC[N@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000438112807 338332724 /nfs/dbraw/zinc/33/27/24/338332724.db2.gz IGMZTACHNBWPAG-SESVDKBCSA-N 1 3 314.517 4.161 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000156152060 338341185 /nfs/dbraw/zinc/34/11/85/338341185.db2.gz UZBDYUZFKCPASS-QGZVFWFLSA-N 1 3 306.881 4.180 20 0 DIADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1ccc(-c2ccccc2)o1 ZINC000447575302 338558335 /nfs/dbraw/zinc/55/83/35/338558335.db2.gz YATKTAXLCZLGDU-MRXNPFEDSA-N 1 3 324.468 4.472 20 0 DIADHO Clc1cc(CNCC2CC[NH+](C3CC3)CC2)c(Cl)s1 ZINC000449288857 338609818 /nfs/dbraw/zinc/60/98/18/338609818.db2.gz OTKGAWCDRWFDSI-UHFFFAOYSA-N 1 3 319.301 4.019 20 0 DIADHO CSC1(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449291412 338610075 /nfs/dbraw/zinc/61/00/75/338610075.db2.gz LEEGSAMUCGGKHI-UHFFFAOYSA-N 1 3 312.567 4.151 20 0 DIADHO CC[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccncc1 ZINC000453087265 338792242 /nfs/dbraw/zinc/79/22/42/338792242.db2.gz NLOOGFUAYUAYIG-OAQYLSRUSA-N 1 3 323.484 4.308 20 0 DIADHO CC(C)[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000459399283 339026967 /nfs/dbraw/zinc/02/69/67/339026967.db2.gz ZPTLKECZMJXUCS-NRFANRHFSA-N 1 3 323.484 4.080 20 0 DIADHO C[C@@H]([NH2+]CC1CCC(F)(F)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000459411172 339027742 /nfs/dbraw/zinc/02/77/42/339027742.db2.gz UATHUNZHCGGUMY-GDBMZVCRSA-N 1 3 314.464 4.055 20 0 DIADHO CC(C)[C@@H]1CCc2ccccc2[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000462842930 339093875 /nfs/dbraw/zinc/09/38/75/339093875.db2.gz SXNITHCLPISKIW-WERVVEIQSA-N 1 3 312.501 4.163 20 0 DIADHO CC(C)[C@@H]1CCc2ccccc2[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000462842930 339093876 /nfs/dbraw/zinc/09/38/76/339093876.db2.gz SXNITHCLPISKIW-WERVVEIQSA-N 1 3 312.501 4.163 20 0 DIADHO C[C@@H](CC[NH2+]CC1CCC(C(F)(F)F)CC1)N1CCCCC1 ZINC000466358029 339200468 /nfs/dbraw/zinc/20/04/68/339200468.db2.gz SPFUYXHAZFOSCV-FHERZECASA-N 1 3 320.443 4.209 20 0 DIADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000467833450 339247122 /nfs/dbraw/zinc/24/71/22/339247122.db2.gz ZQRIVYFSZINLSE-GJZGRUSLSA-N 1 3 310.432 4.128 20 0 DIADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000467833450 339247123 /nfs/dbraw/zinc/24/71/23/339247123.db2.gz ZQRIVYFSZINLSE-GJZGRUSLSA-N 1 3 310.432 4.128 20 0 DIADHO c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+][C@H]2CCN3CCC[C@@H]3C2)cc1 ZINC000468357028 339260458 /nfs/dbraw/zinc/26/04/58/339260458.db2.gz ODVPOGKOOWAOIX-BURNTYAHSA-N 1 3 312.501 4.004 20 0 DIADHO c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCN3CCC[C@@H]3C2)cc1 ZINC000468357027 339260494 /nfs/dbraw/zinc/26/04/94/339260494.db2.gz ODVPOGKOOWAOIX-BQJUDKOJSA-N 1 3 312.501 4.004 20 0 DIADHO C[C@@H](CCc1ccc(F)cc1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000468511741 339265086 /nfs/dbraw/zinc/26/50/86/339265086.db2.gz OOCPKTHPJGFXEA-AWEZNQCLSA-N 1 3 306.469 4.046 20 0 DIADHO C[C@@H](CCc1ccc(F)cc1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000468511741 339265087 /nfs/dbraw/zinc/26/50/87/339265087.db2.gz OOCPKTHPJGFXEA-AWEZNQCLSA-N 1 3 306.469 4.046 20 0 DIADHO Cc1ccc(C)c2c1CCC[C@@H]2NC1CC[NH+](CC2CC2)CC1 ZINC000472143871 339364175 /nfs/dbraw/zinc/36/41/75/339364175.db2.gz IWAYDCHSJAFSRO-FQEVSTJZSA-N 1 3 312.501 4.145 20 0 DIADHO COc1ccsc1[C@@H](C)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000472157905 339364491 /nfs/dbraw/zinc/36/44/91/339364491.db2.gz NHVVGNDJBTUYFD-LSDHHAIUSA-N 1 3 310.507 4.062 20 0 DIADHO COc1ccsc1[C@@H](C)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000472157905 339364492 /nfs/dbraw/zinc/36/44/92/339364492.db2.gz NHVVGNDJBTUYFD-LSDHHAIUSA-N 1 3 310.507 4.062 20 0 DIADHO C[C@@H]([NH2+]CCCN1CCCC[C@H]1C)C1CCC(F)(F)CC1 ZINC000474029959 339397724 /nfs/dbraw/zinc/39/77/24/339397724.db2.gz GRDJHMIQEXYLDF-HUUCEWRRSA-N 1 3 302.453 4.055 20 0 DIADHO Cc1cc2[nH]c(CNCc3cccc(C[NH+](C)C)c3)cc2c(C)c1 ZINC000479552735 339540758 /nfs/dbraw/zinc/54/07/58/339540758.db2.gz HXEWTEDLNYUXNQ-UHFFFAOYSA-N 1 3 321.468 4.136 20 0 DIADHO C[N@H+]1CC=C(CN[C@@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000498721394 340022122 /nfs/dbraw/zinc/02/21/22/340022122.db2.gz KYDPIJLMULVMPB-IBGZPJMESA-N 1 3 312.457 4.372 20 0 DIADHO C[N@@H+]1CC=C(CN[C@@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000498721394 340022123 /nfs/dbraw/zinc/02/21/23/340022123.db2.gz KYDPIJLMULVMPB-IBGZPJMESA-N 1 3 312.457 4.372 20 0 DIADHO C[N@H+]1CC=C(CN[C@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000498721395 340022169 /nfs/dbraw/zinc/02/21/69/340022169.db2.gz KYDPIJLMULVMPB-LJQANCHMSA-N 1 3 312.457 4.372 20 0 DIADHO C[N@@H+]1CC=C(CN[C@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000498721395 340022170 /nfs/dbraw/zinc/02/21/70/340022170.db2.gz KYDPIJLMULVMPB-LJQANCHMSA-N 1 3 312.457 4.372 20 0 DIADHO CC(C)[C@H](NCCCCC[NH+]1CCCCC1)c1ccc(F)cn1 ZINC000498930692 340026273 /nfs/dbraw/zinc/02/62/73/340026273.db2.gz PJTSCLXMHNPSBK-IBGZPJMESA-N 1 3 321.484 4.164 20 0 DIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000498932061 340026403 /nfs/dbraw/zinc/02/64/03/340026403.db2.gz UEVQEKKLFFVUFA-XUVXKRRUSA-N 1 3 316.464 4.224 20 0 DIADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000504929014 340156623 /nfs/dbraw/zinc/15/66/23/340156623.db2.gz FUUVDRSQMJXNTI-LMMKCTJWSA-N 1 3 300.490 4.253 20 0 DIADHO CC[C@@H](C[NH+]1CCC(N2CCCCC2)CC1)c1ccccc1 ZINC000506368690 340193443 /nfs/dbraw/zinc/19/34/43/340193443.db2.gz JIRVRARWPBYANW-SFHVURJKSA-N 1 3 300.490 4.131 20 0 DIADHO c1cc2cc(CNC3CC[NH+](Cc4ccccc4)CC3)ccc2o1 ZINC000510209434 340292503 /nfs/dbraw/zinc/29/25/03/340292503.db2.gz PSKJEUPZXFUHMJ-UHFFFAOYSA-N 1 3 320.436 4.187 20 0 DIADHO c1csc(CN2CCC(C[NH2+][C@@H]3CC[C@H]3C3CCC3)CC2)c1 ZINC000510717600 340307855 /nfs/dbraw/zinc/30/78/55/340307855.db2.gz IEPZCNDEPFOQDL-RBUKOAKNSA-N 1 3 318.530 4.128 20 0 DIADHO C[C@@H](CCc1c(F)cccc1F)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000510733992 340308677 /nfs/dbraw/zinc/30/86/77/340308677.db2.gz LICTYLTUPXFHEZ-ZDUSSCGKSA-N 1 3 324.459 4.185 20 0 DIADHO C[C@@H](CCc1c(F)cccc1F)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000510733992 340308678 /nfs/dbraw/zinc/30/86/78/340308678.db2.gz LICTYLTUPXFHEZ-ZDUSSCGKSA-N 1 3 324.459 4.185 20 0 DIADHO Cc1cccc([C@H](NCCCC[NH+](C)C)c2cccc(F)c2)c1 ZINC000510753189 340309725 /nfs/dbraw/zinc/30/97/25/340309725.db2.gz QCBIKMGSRHILPC-FQEVSTJZSA-N 1 3 314.448 4.155 20 0 DIADHO COCC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1)C(C)(C)C ZINC000510979674 340316981 /nfs/dbraw/zinc/31/69/81/340316981.db2.gz PGKJKLOMFYTNNW-UHOSZYNNSA-N 1 3 324.553 4.070 20 0 DIADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000511454561 340327581 /nfs/dbraw/zinc/32/75/81/340327581.db2.gz OEOAIHXDUFFIPP-BHDPWAOGSA-N 1 3 306.881 4.048 20 0 DIADHO C[NH+](C)[C@@H]1CCC[C@H](NC2CC(c3ccccc3Cl)C2)C1 ZINC000511454561 340327582 /nfs/dbraw/zinc/32/75/82/340327582.db2.gz OEOAIHXDUFFIPP-BHDPWAOGSA-N 1 3 306.881 4.048 20 0 DIADHO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C1CCN(CC2CC2)CC1 ZINC000513031232 340389611 /nfs/dbraw/zinc/38/96/11/340389611.db2.gz KITRMCQZAOKIRU-QINSGFPZSA-N 1 3 318.892 4.207 20 0 DIADHO CC[NH+]1CCC(CN[C@H](C)c2cc(Cl)sc2Cl)CC1 ZINC000223196383 340544070 /nfs/dbraw/zinc/54/40/70/340544070.db2.gz FFNOPXHOROYKSE-SNVBAGLBSA-N 1 3 321.317 4.437 20 0 DIADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000539495286 340887314 /nfs/dbraw/zinc/88/73/14/340887314.db2.gz KSYQPLIEXQCZCX-CYBMUJFWSA-N 1 3 320.864 4.469 20 0 DIADHO Cc1cccc(C)c1C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000542534198 341012534 /nfs/dbraw/zinc/01/25/34/341012534.db2.gz YOMUSFQZDJDBTA-QZTJIDSGSA-N 1 3 300.490 4.046 20 0 DIADHO CC(C)[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(Cl)cc1F ZINC000542843899 341023144 /nfs/dbraw/zinc/02/31/44/341023144.db2.gz KCWVCHXDBCELLS-SCLBCKFNSA-N 1 3 324.871 4.250 20 0 DIADHO C[C@@H](CCc1cccc(F)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000543080900 341031073 /nfs/dbraw/zinc/03/10/73/341031073.db2.gz JUXQARNHGNKHDI-FXAWDEMLSA-N 1 3 318.480 4.097 20 0 DIADHO CCOc1ccc([C@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)cc1 ZINC000543416369 341043344 /nfs/dbraw/zinc/04/33/44/341043344.db2.gz JBOMSECOYGZNMC-SJORKVTESA-N 1 3 304.478 4.000 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(-c3ccccc3)s2)C1 ZINC000543600111 341050524 /nfs/dbraw/zinc/05/05/24/341050524.db2.gz BKPQJXRMJQJSMD-CVEARBPZSA-N 1 3 314.498 4.408 20 0 DIADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(-c3ccccc3)s2)C1 ZINC000543600111 341050525 /nfs/dbraw/zinc/05/05/25/341050525.db2.gz BKPQJXRMJQJSMD-CVEARBPZSA-N 1 3 314.498 4.408 20 0 DIADHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(-c3ccccc3)s2)C1 ZINC000543600111 341050526 /nfs/dbraw/zinc/05/05/26/341050526.db2.gz BKPQJXRMJQJSMD-CVEARBPZSA-N 1 3 314.498 4.408 20 0 DIADHO CC(C)[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc(F)c(F)c1 ZINC000543775007 341058095 /nfs/dbraw/zinc/05/80/95/341058095.db2.gz HDKVZBVIEDTXNL-BEFAXECRSA-N 1 3 324.459 4.372 20 0 DIADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(-c2ccccc2)s1 ZINC000544578317 341086969 /nfs/dbraw/zinc/08/69/69/341086969.db2.gz ZNYLXUROAACWQL-HZPDHXFCSA-N 1 3 314.498 4.408 20 0 DIADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2)s1 ZINC000544578317 341086970 /nfs/dbraw/zinc/08/69/70/341086970.db2.gz ZNYLXUROAACWQL-HZPDHXFCSA-N 1 3 314.498 4.408 20 0 DIADHO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC1(CN(C)C)CCCC1 ZINC000545521253 341128529 /nfs/dbraw/zinc/12/85/29/341128529.db2.gz QCEGHFLRSVWWNK-CQSZACIVSA-N 1 3 323.550 4.348 20 0 DIADHO C[C@H]1C[C@H]1c1ccc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000237463872 341214510 /nfs/dbraw/zinc/21/45/10/341214510.db2.gz MRVHGOXZMIPISM-SOLBZPMBSA-N 1 3 304.478 4.005 20 0 DIADHO C[C@H]1C[C@H]1c1ccc(CNCCCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC000237463872 341214511 /nfs/dbraw/zinc/21/45/11/341214511.db2.gz MRVHGOXZMIPISM-SOLBZPMBSA-N 1 3 304.478 4.005 20 0 DIADHO Cc1c2cccc(Cl)c2sc1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000549764282 341302524 /nfs/dbraw/zinc/30/25/24/341302524.db2.gz PCXLHONQNBIYAR-AAEUAGOBSA-N 1 3 322.905 4.435 20 0 DIADHO Cc1c2cccc(Cl)c2sc1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000549764282 341302525 /nfs/dbraw/zinc/30/25/25/341302525.db2.gz PCXLHONQNBIYAR-AAEUAGOBSA-N 1 3 322.905 4.435 20 0 DIADHO Cc1c2cccc(Cl)c2sc1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000550144786 341311167 /nfs/dbraw/zinc/31/11/67/341311167.db2.gz WVCSZMRJJGMJNY-ZDUSSCGKSA-N 1 3 322.905 4.295 20 0 DIADHO Cc1c2cccc(Cl)c2sc1CNC[C@@H]1CCC[N@H+](C)C1 ZINC000550144786 341311168 /nfs/dbraw/zinc/31/11/68/341311168.db2.gz WVCSZMRJJGMJNY-ZDUSSCGKSA-N 1 3 322.905 4.295 20 0 DIADHO CN1CCC([C@H]2CC[N@H+](Cc3cccc4ccccc43)C2)CC1 ZINC000550644954 341320255 /nfs/dbraw/zinc/32/02/55/341320255.db2.gz ORVJPPOOJRDTRX-IBGZPJMESA-N 1 3 308.469 4.004 20 0 DIADHO CN1CCC([C@H]2CC[N@@H+](Cc3cccc4ccccc43)C2)CC1 ZINC000550644954 341320256 /nfs/dbraw/zinc/32/02/56/341320256.db2.gz ORVJPPOOJRDTRX-IBGZPJMESA-N 1 3 308.469 4.004 20 0 DIADHO Fc1ccc([C@H]2C[C@H]([NH2+]C3CCN(C4CCCC4)CC3)C2)cc1 ZINC000550829978 341323978 /nfs/dbraw/zinc/32/39/78/341323978.db2.gz RTFYGSVJHOCTRI-RUCARUNLSA-N 1 3 316.464 4.068 20 0 DIADHO Fc1ccc([C@H]2C[C@H](NC3CC[NH+](C4CCCC4)CC3)C2)cc1 ZINC000550829978 341323979 /nfs/dbraw/zinc/32/39/79/341323979.db2.gz RTFYGSVJHOCTRI-RUCARUNLSA-N 1 3 316.464 4.068 20 0 DIADHO CCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551010299 341329080 /nfs/dbraw/zinc/32/90/80/341329080.db2.gz ZRXOXWKIQNTPGD-CTNGQTDRSA-N 1 3 324.468 4.010 20 0 DIADHO CCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551010299 341329081 /nfs/dbraw/zinc/32/90/81/341329081.db2.gz ZRXOXWKIQNTPGD-CTNGQTDRSA-N 1 3 324.468 4.010 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(C3CC3)c2)C1 ZINC000551030147 341329637 /nfs/dbraw/zinc/32/96/37/341329637.db2.gz YHTYDGUWUKKAFE-IRXDYDNUSA-N 1 3 300.490 4.335 20 0 DIADHO C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246747616 341356677 /nfs/dbraw/zinc/35/66/77/341356677.db2.gz FRQWAPDAIXZARS-KGLIPLIRSA-N 1 3 314.395 4.040 20 0 DIADHO C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246747616 341356678 /nfs/dbraw/zinc/35/66/78/341356678.db2.gz FRQWAPDAIXZARS-KGLIPLIRSA-N 1 3 314.395 4.040 20 0 DIADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000246906643 341358594 /nfs/dbraw/zinc/35/85/94/341358594.db2.gz GCEOAVXMKOPBOR-QZTJIDSGSA-N 1 3 323.484 4.131 20 0 DIADHO CCC[N@H+]1CC[C@H](CN[C@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000246906643 341358595 /nfs/dbraw/zinc/35/85/95/341358595.db2.gz GCEOAVXMKOPBOR-QZTJIDSGSA-N 1 3 323.484 4.131 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000246906643 341358596 /nfs/dbraw/zinc/35/85/96/341358596.db2.gz GCEOAVXMKOPBOR-QZTJIDSGSA-N 1 3 323.484 4.131 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2c3ccccc3C[C@H]2C)c1 ZINC000247000976 341359797 /nfs/dbraw/zinc/35/97/97/341359797.db2.gz LPLUBLXATRLMDA-IIBYNOLFSA-N 1 3 308.469 4.161 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2c3ccccc3C[C@H]2C)c1 ZINC000247000976 341359798 /nfs/dbraw/zinc/35/97/98/341359798.db2.gz LPLUBLXATRLMDA-IIBYNOLFSA-N 1 3 308.469 4.161 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cc3cc(C)c(C)cc3o2)C1 ZINC000247175479 341361820 /nfs/dbraw/zinc/36/18/20/341361820.db2.gz UWVOPQVYSRBOKP-CVEARBPZSA-N 1 3 300.446 4.042 20 0 DIADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000247222243 341362334 /nfs/dbraw/zinc/36/23/34/341362334.db2.gz WJVSLZVWGIKLLS-ZUJOMPCJSA-N 1 3 316.464 4.054 20 0 DIADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000247222243 341362335 /nfs/dbraw/zinc/36/23/35/341362335.db2.gz WJVSLZVWGIKLLS-ZUJOMPCJSA-N 1 3 316.464 4.054 20 0 DIADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000247222234 341362377 /nfs/dbraw/zinc/36/23/77/341362377.db2.gz WJVSLZVWGIKLLS-OUSUWRMNSA-N 1 3 316.464 4.054 20 0 DIADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000247222234 341362378 /nfs/dbraw/zinc/36/23/78/341362378.db2.gz WJVSLZVWGIKLLS-OUSUWRMNSA-N 1 3 316.464 4.054 20 0 DIADHO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000248542540 341379579 /nfs/dbraw/zinc/37/95/79/341379579.db2.gz BZZDHYGIZVKXJY-LMMKCTJWSA-N 1 3 300.490 4.033 20 0 DIADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000249257191 341395571 /nfs/dbraw/zinc/39/55/71/341395571.db2.gz GRVGSBULLYFPTH-PMPSAXMXSA-N 1 3 320.443 4.065 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@H](C)C(c2ccccc2)c2ccccc2)C1 ZINC000249371185 341396790 /nfs/dbraw/zinc/39/67/90/341396790.db2.gz BPGPHKLBTWVOKX-MOPGFXCFSA-N 1 3 322.496 4.138 20 0 DIADHO COCC(C)(C)CCC[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000554374773 341452275 /nfs/dbraw/zinc/45/22/75/341452275.db2.gz ZMQHXPYXFWEFSY-HKUYNNGSSA-N 1 3 324.553 4.072 20 0 DIADHO CC(C)[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(Cl)cc1F ZINC000573001879 341712996 /nfs/dbraw/zinc/71/29/96/341712996.db2.gz JVNVGFPBAGLHRE-SFHVURJKSA-N 1 3 320.839 4.425 20 0 DIADHO C[C@H](N)C[C@H](C)[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC000580564281 341879524 /nfs/dbraw/zinc/87/95/24/341879524.db2.gz QQFMZDWCXGQFOB-RYUDHWBXSA-N 1 3 303.277 4.032 20 0 DIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2cccc3[nH]ccc32)c1 ZINC000236668189 519629055 /nfs/dbraw/zinc/62/90/55/519629055.db2.gz RINGIZTUTOLRDS-UHFFFAOYSA-N 1 3 321.468 4.298 20 0 DIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cccc3[nH]ccc32)c1 ZINC000236668189 519629059 /nfs/dbraw/zinc/62/90/59/519629059.db2.gz RINGIZTUTOLRDS-UHFFFAOYSA-N 1 3 321.468 4.298 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)C1 ZINC000163280802 521717729 /nfs/dbraw/zinc/71/77/29/521717729.db2.gz NLQNRWYWVXJVHQ-CZUORRHYSA-N 1 3 324.921 4.198 20 0 DIADHO CCc1nc(C)c([C@@H](C)NCCCC[N@@H+]2CCC[C@H](C)C2)s1 ZINC000157908918 522219853 /nfs/dbraw/zinc/21/98/53/522219853.db2.gz CGJINFXFHJNPDR-LSDHHAIUSA-N 1 3 323.550 4.177 20 0 DIADHO CCc1nc(C)c([C@@H](C)NCCCC[N@H+]2CCC[C@H](C)C2)s1 ZINC000157908918 522219862 /nfs/dbraw/zinc/21/98/62/522219862.db2.gz CGJINFXFHJNPDR-LSDHHAIUSA-N 1 3 323.550 4.177 20 0 DIADHO C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000643548113 1035602423 /nfs/dbraw/zinc/60/24/23/1035602423.db2.gz MQJCMPUHOMQPPW-KEYYUXOJSA-N 1 3 306.881 4.096 20 0 DIADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548114 1035603857 /nfs/dbraw/zinc/60/38/57/1035603857.db2.gz MQJCMPUHOMQPPW-ZQIUZPCESA-N 1 3 306.881 4.096 20 0 DIADHO CN(C)CC(C)(C)C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000037197194 1035961084 /nfs/dbraw/zinc/96/10/84/1035961084.db2.gz LEYHHEICWMCMAG-CQSZACIVSA-N 1 3 312.910 4.054 20 0 DIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)c1cccs1 ZINC000154856578 1036039738 /nfs/dbraw/zinc/03/97/38/1036039738.db2.gz MNDMKRJYOWRXCB-HNNXBMFYSA-N 1 3 302.487 4.439 20 0 DIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)c1cccs1 ZINC000154856578 1036039759 /nfs/dbraw/zinc/03/97/59/1036039759.db2.gz MNDMKRJYOWRXCB-HNNXBMFYSA-N 1 3 302.487 4.439 20 0 DIADHO C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(Cl)sc1Cl ZINC000655806419 1036555103 /nfs/dbraw/zinc/55/51/03/1036555103.db2.gz UZJWCKHCDLZLBM-LPEHRKFASA-N 1 3 307.290 4.046 20 0 DIADHO C[NH+](C)CCCC(C)(C)NCc1cc(Cl)sc1Cl ZINC000312690052 1036935505 /nfs/dbraw/zinc/93/55/05/1036935505.db2.gz YHWGIWSUGMAMQF-UHFFFAOYSA-N 1 3 309.306 4.265 20 0 DIADHO Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000398045947 1037142591 /nfs/dbraw/zinc/14/25/91/1037142591.db2.gz VRWZEGPTPNQCPF-DENIHFKCSA-N 1 3 322.496 4.304 20 0 DIADHO Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000398045947 1037142600 /nfs/dbraw/zinc/14/26/00/1037142600.db2.gz VRWZEGPTPNQCPF-DENIHFKCSA-N 1 3 322.496 4.304 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc(Cl)c(F)c2)cc1 ZINC000581005773 1037402858 /nfs/dbraw/zinc/40/28/58/1037402858.db2.gz JANKXNXIGHYVCU-VXGBXAGGSA-N 1 3 306.812 4.350 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCc3ccc(F)cc32)c1 ZINC000123949711 1037592979 /nfs/dbraw/zinc/59/29/79/1037592979.db2.gz DIYLPVREPQBGAU-HXUWFJFHSA-N 1 3 312.432 4.055 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCc3ccc(F)cc32)c1 ZINC000123949711 1037592994 /nfs/dbraw/zinc/59/29/94/1037592994.db2.gz DIYLPVREPQBGAU-HXUWFJFHSA-N 1 3 312.432 4.055 20 0 DIADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000656683220 1037786559 /nfs/dbraw/zinc/78/65/59/1037786559.db2.gz KAFKZCOSITYHAF-OAQYLSRUSA-N 1 3 323.484 4.035 20 0 DIADHO C[NH+](C)CC[C@@H](NCc1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC000604770698 1038446335 /nfs/dbraw/zinc/44/63/35/1038446335.db2.gz BDUDJVLWIYIVRG-OAHLLOKOSA-N 1 3 316.411 4.161 20 0 DIADHO C[C@@H](Cc1ccccc1F)NC1CC[NH+](C2CCCCC2)CC1 ZINC000132353389 1038472675 /nfs/dbraw/zinc/47/26/75/1038472675.db2.gz ZYOPMCDXLCUOBQ-INIZCTEOSA-N 1 3 318.480 4.143 20 0 DIADHO C[C@@H](Cc1ccccc1F)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000132353389 1038472679 /nfs/dbraw/zinc/47/26/79/1038472679.db2.gz ZYOPMCDXLCUOBQ-INIZCTEOSA-N 1 3 318.480 4.143 20 0 DIADHO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCCN2CCCCC2)C1 ZINC001167504781 1038485192 /nfs/dbraw/zinc/48/51/92/1038485192.db2.gz OOYKVNDFDRFJEJ-LPHOPBHVSA-N 1 3 304.453 4.085 20 0 DIADHO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCCN2CCCCC2)C1 ZINC001167504781 1038485200 /nfs/dbraw/zinc/48/52/00/1038485200.db2.gz OOYKVNDFDRFJEJ-LPHOPBHVSA-N 1 3 304.453 4.085 20 0 DIADHO C[C@H](Cc1cccs1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000684773100 1038596617 /nfs/dbraw/zinc/59/66/17/1038596617.db2.gz CDMOWBWMBIWLAA-NVXWUHKLSA-N 1 3 306.519 4.066 20 0 DIADHO C[C@H](Cc1cccs1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000684773100 1038596622 /nfs/dbraw/zinc/59/66/22/1038596622.db2.gz CDMOWBWMBIWLAA-NVXWUHKLSA-N 1 3 306.519 4.066 20 0 DIADHO CCCC[N@H+](C)CC1CCN(Cc2oc(C(C)C)nc2C)CC1 ZINC000428474378 1039220231 /nfs/dbraw/zinc/22/02/31/1039220231.db2.gz RSIBAZNWLGIKGQ-UHFFFAOYSA-N 1 3 321.509 4.050 20 0 DIADHO CCCC[N@@H+](C)CC1CCN(Cc2oc(C(C)C)nc2C)CC1 ZINC000428474378 1039220245 /nfs/dbraw/zinc/22/02/45/1039220245.db2.gz RSIBAZNWLGIKGQ-UHFFFAOYSA-N 1 3 321.509 4.050 20 0 DIADHO C[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccsc1 ZINC000669850863 1039393464 /nfs/dbraw/zinc/39/34/64/1039393464.db2.gz MRWKFPFIAYHJQS-LSDHHAIUSA-N 1 3 318.486 4.100 20 0 DIADHO C[C@@H](N[C@@H](C)c1ccsc1)c1cccc(OCC[NH+](C)C)c1 ZINC000669850860 1039395358 /nfs/dbraw/zinc/39/53/58/1039395358.db2.gz MRWKFPFIAYHJQS-CABCVRRESA-N 1 3 318.486 4.100 20 0 DIADHO CCSc1ccc([C@@H](C)NCc2ccccc2C[NH2+]C)cc1 ZINC000650757555 1039466955 /nfs/dbraw/zinc/46/69/55/1039466955.db2.gz ZPZWVKBWQXWLFB-OAHLLOKOSA-N 1 3 314.498 4.369 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000650758104 1039468445 /nfs/dbraw/zinc/46/84/45/1039468445.db2.gz JFOWRWIGAGDZNH-GFCCVEGCSA-N 1 3 306.812 4.049 20 0 DIADHO Cc1cc([C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C2CC2)ccc1F ZINC000540299878 1039469962 /nfs/dbraw/zinc/46/99/62/1039469962.db2.gz UIRGMTMCAUOJOE-JXFKEZNVSA-N 1 3 318.480 4.295 20 0 DIADHO COc1ccc([C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C(C)C)cc1 ZINC000540299532 1039470152 /nfs/dbraw/zinc/47/01/52/1039470152.db2.gz KQFLZTCSEBYQRX-XLIONFOSSA-N 1 3 318.505 4.102 20 0 DIADHO COc1ccc([C@@H](NC[C@H]2CCC[N@@H+](C(C)C)C2)C(C)C)cc1 ZINC000540299532 1039470161 /nfs/dbraw/zinc/47/01/61/1039470161.db2.gz KQFLZTCSEBYQRX-XLIONFOSSA-N 1 3 318.505 4.102 20 0 DIADHO COc1ccc([C@@H](NC[C@H]2CCC[N@H+](C(C)C)C2)C(C)C)cc1 ZINC000540299532 1039470172 /nfs/dbraw/zinc/47/01/72/1039470172.db2.gz KQFLZTCSEBYQRX-XLIONFOSSA-N 1 3 318.505 4.102 20 0 DIADHO COc1ccc([C@H]([NH2+]CC[C@H](C)N2CCCCC2)C2CC2)cc1 ZINC000541559180 1039706800 /nfs/dbraw/zinc/70/68/00/1039706800.db2.gz XJJKNFVCGMVNHI-OXJNMPFZSA-N 1 3 316.489 4.000 20 0 DIADHO Cc1ccccc1CCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000541601904 1039716609 /nfs/dbraw/zinc/71/66/09/1039716609.db2.gz VWESNWHALOUMTI-QUCCMNQESA-N 1 3 314.517 4.170 20 0 DIADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)C(c1ccccc1)c1ccccc1 ZINC000541628173 1039719883 /nfs/dbraw/zinc/71/98/83/1039719883.db2.gz DYZJQNOXCTULMZ-RXVVDRJESA-N 1 3 322.496 4.281 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC000685455721 1040059310 /nfs/dbraw/zinc/05/93/10/1040059310.db2.gz TYHIXEICWRMURK-OBXNSHGQSA-N 1 3 314.517 4.280 20 0 DIADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cc(-c2ccccc2)cs1 ZINC000685470309 1040067452 /nfs/dbraw/zinc/06/74/52/1040067452.db2.gz FHTZFTRFZVEQIU-DNVCBOLYSA-N 1 3 314.498 4.187 20 0 DIADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cc(-c2ccccc2)cs1 ZINC000685470309 1040067466 /nfs/dbraw/zinc/06/74/66/1040067466.db2.gz FHTZFTRFZVEQIU-DNVCBOLYSA-N 1 3 314.498 4.187 20 0 DIADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000309885438 1040100091 /nfs/dbraw/zinc/10/00/91/1040100091.db2.gz YVJCVHWPTQXCSY-RLLQIKCJSA-N 1 3 300.490 4.067 20 0 DIADHO CC[C@@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C1CC1 ZINC000309991089 1040103133 /nfs/dbraw/zinc/10/31/33/1040103133.db2.gz ZYAZUOOEKFOPGZ-UYAOXDASSA-N 1 3 300.490 4.067 20 0 DIADHO C[C@@H](CC[NH2+][C@@H](C)c1cc2ccncc2s1)N1CCCCC1 ZINC000657974208 1040237243 /nfs/dbraw/zinc/23/72/43/1040237243.db2.gz ZDAZEZFJHDRKSQ-GJZGRUSLSA-N 1 3 317.502 4.211 20 0 DIADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)c1cc2ccncc2s1 ZINC000657989946 1040258206 /nfs/dbraw/zinc/25/82/06/1040258206.db2.gz NHZLIOSHNSBBCU-CQSZACIVSA-N 1 3 317.502 4.069 20 0 DIADHO CN(Cc1sc2ccccc2c1Cl)CC1CC[NH+](C)CC1 ZINC001207398619 1040424703 /nfs/dbraw/zinc/42/47/03/1040424703.db2.gz CVECFSQEFKNIDS-UHFFFAOYSA-N 1 3 322.905 4.328 20 0 DIADHO C[C@@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000309753455 1040722858 /nfs/dbraw/zinc/72/28/58/1040722858.db2.gz WMRNPDMSBCLVKI-SJLPKXTDSA-N 1 3 314.498 4.311 20 0 DIADHO C[C@@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000309753455 1040722872 /nfs/dbraw/zinc/72/28/72/1040722872.db2.gz WMRNPDMSBCLVKI-SJLPKXTDSA-N 1 3 314.498 4.311 20 0 DIADHO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000309753450 1040723648 /nfs/dbraw/zinc/72/36/48/1040723648.db2.gz WMRNPDMSBCLVKI-AEFFLSMTSA-N 1 3 314.498 4.311 20 0 DIADHO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000309753450 1040723661 /nfs/dbraw/zinc/72/36/61/1040723661.db2.gz WMRNPDMSBCLVKI-AEFFLSMTSA-N 1 3 314.498 4.311 20 0 DIADHO CCCC[N@H+](C)CC1CCN(Cc2ccccc2Cl)CC1 ZINC000613492367 1041006489 /nfs/dbraw/zinc/00/64/89/1041006489.db2.gz KBCBUHFDQBFBQC-UHFFFAOYSA-N 1 3 308.897 4.284 20 0 DIADHO CCCC[N@@H+](C)CC1CCN(Cc2ccccc2Cl)CC1 ZINC000613492367 1041006504 /nfs/dbraw/zinc/00/65/04/1041006504.db2.gz KBCBUHFDQBFBQC-UHFFFAOYSA-N 1 3 308.897 4.284 20 0 DIADHO COC1([C@H](C)NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCC1 ZINC000414306574 1041101352 /nfs/dbraw/zinc/10/13/52/1041101352.db2.gz OKHROWVGVMKIKU-INIZCTEOSA-N 1 3 324.553 4.213 20 0 DIADHO CCSc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624121708 1041352329 /nfs/dbraw/zinc/35/23/29/1041352329.db2.gz BKNSAFLIYJCMSE-HZPDHXFCSA-N 1 3 306.519 4.181 20 0 DIADHO C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417347259 1041662432 /nfs/dbraw/zinc/66/24/32/1041662432.db2.gz VPUXZSNBYCVVTP-VVLHAWIVSA-N 1 3 306.519 4.094 20 0 DIADHO Cc1cc(F)ccc1[C@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000815586938 1041968453 /nfs/dbraw/zinc/96/84/53/1041968453.db2.gz VUONKGQJCMJNTP-HNNXBMFYSA-N 1 3 304.453 4.192 20 0 DIADHO c1ccc([C@@H]2CC[C@@H](CN3CCC([NH2+]CC4CC4)CC3)C2)cc1 ZINC000662244946 1042097766 /nfs/dbraw/zinc/09/77/66/1042097766.db2.gz JRZSUYAJOBQAIX-UYAOXDASSA-N 1 3 312.501 4.034 20 0 DIADHO CC[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc(Cl)c1F ZINC000161560800 1042110765 /nfs/dbraw/zinc/11/07/65/1042110765.db2.gz ONIQZCYTWKHSDR-BLLLJJGKSA-N 1 3 310.844 4.004 20 0 DIADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccc(Cl)c(Cl)c1 ZINC000817946638 1042130550 /nfs/dbraw/zinc/13/05/50/1042130550.db2.gz CAKGYWVHOKUDKE-GFCCVEGCSA-N 1 3 323.267 4.345 20 0 DIADHO Cc1cc2cc([C@H](C)NCc3ccc(CC[NH3+])cc3)oc2cc1C ZINC000817949883 1042130577 /nfs/dbraw/zinc/13/05/77/1042130577.db2.gz SXDQVBYQUWQZDW-INIZCTEOSA-N 1 3 322.452 4.402 20 0 DIADHO CC(C)[C@H](NCc1ccc(CC[NH3+])cc1)c1cc2ccccc2o1 ZINC000817949170 1042130689 /nfs/dbraw/zinc/13/06/89/1042130689.db2.gz NDRZWHXWKKISJR-NRFANRHFSA-N 1 3 322.452 4.421 20 0 DIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2cccc(Cl)c2)c1 ZINC000065976610 1042139020 /nfs/dbraw/zinc/13/90/20/1042139020.db2.gz IRWMGPXNKWWABF-UHFFFAOYSA-N 1 3 316.876 4.470 20 0 DIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cccc(Cl)c2)c1 ZINC000065976610 1042139023 /nfs/dbraw/zinc/13/90/23/1042139023.db2.gz IRWMGPXNKWWABF-UHFFFAOYSA-N 1 3 316.876 4.470 20 0 DIADHO CCC[C@H]1CC[C@H](c2ccc(N[C@@H](N)CCC[NH3+])cc2)CC1 ZINC001170899747 1042147311 /nfs/dbraw/zinc/14/73/11/1042147311.db2.gz MCRQBGWPFVIAFL-GPMSIDNRSA-N 1 3 303.494 4.196 20 0 DIADHO c1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCCN(CC3CC3)C2)cc1 ZINC000663467862 1042179016 /nfs/dbraw/zinc/17/90/16/1042179016.db2.gz IIWHWGPSNWGEEJ-GIVPXCGWSA-N 1 3 312.501 4.034 20 0 DIADHO C[C@@H](N[C@@H]1CCc2c1cccc2F)c1cccc(C[NH+](C)C)c1 ZINC000820808955 1042229404 /nfs/dbraw/zinc/22/94/04/1042229404.db2.gz QLBYXNUWVKUYMM-JLTOFOAXSA-N 1 3 312.432 4.225 20 0 DIADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000391482863 1042374862 /nfs/dbraw/zinc/37/48/62/1042374862.db2.gz RGOHZNOUUMCSGV-WWMYMODYSA-N 1 3 308.469 4.487 20 0 DIADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000391482863 1042374870 /nfs/dbraw/zinc/37/48/70/1042374870.db2.gz RGOHZNOUUMCSGV-WWMYMODYSA-N 1 3 308.469 4.487 20 0 DIADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000391482862 1042375240 /nfs/dbraw/zinc/37/52/40/1042375240.db2.gz RGOHZNOUUMCSGV-LLGFUMIMSA-N 1 3 308.469 4.487 20 0 DIADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000391482862 1042375242 /nfs/dbraw/zinc/37/52/42/1042375242.db2.gz RGOHZNOUUMCSGV-LLGFUMIMSA-N 1 3 308.469 4.487 20 0 DIADHO C[C@@H](c1cc(Cl)ccc1Cl)N1CCC2(C1)CC[NH2+]CC2 ZINC000420306988 1042599312 /nfs/dbraw/zinc/59/93/12/1042599312.db2.gz LMWMZTPUQYXKIK-LBPRGKRZSA-N 1 3 313.272 4.130 20 0 DIADHO C[C@H](c1cc(Cl)ccc1Cl)N1CCC2(C1)CC[NH2+]CC2 ZINC000420306984 1042599394 /nfs/dbraw/zinc/59/93/94/1042599394.db2.gz LMWMZTPUQYXKIK-GFCCVEGCSA-N 1 3 313.272 4.130 20 0 DIADHO Cc1cc(C)cc(-c2ccc(CNC3CC[NH+](C)CC3)cc2)c1 ZINC000237168837 1042626305 /nfs/dbraw/zinc/62/63/05/1042626305.db2.gz ULNNCIKKNWZDGY-UHFFFAOYSA-N 1 3 308.469 4.154 20 0 DIADHO CC(C)CC[NH+]1CCC(CN[C@H](C)c2ccncc2Cl)CC1 ZINC000421839036 1042659042 /nfs/dbraw/zinc/65/90/42/1042659042.db2.gz WFLLGKITYJLIFN-OAHLLOKOSA-N 1 3 323.912 4.144 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000422709456 1042688418 /nfs/dbraw/zinc/68/84/18/1042688418.db2.gz DKFCQUNAAFRKOD-QRWLVFNGSA-N 1 3 309.457 4.041 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000422816563 1042690819 /nfs/dbraw/zinc/69/08/19/1042690819.db2.gz ATLBIBKZBIEHKM-ZNMIVQPWSA-N 1 3 303.494 4.104 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000422801448 1042690903 /nfs/dbraw/zinc/69/09/03/1042690903.db2.gz BYCFHOILGQWLGG-VNCLNFNDSA-N 1 3 323.484 4.226 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(CC(C)C)CCCC1 ZINC000422863461 1042691682 /nfs/dbraw/zinc/69/16/82/1042691682.db2.gz LMYVCWVWAVNPBM-OAHLLOKOSA-N 1 3 303.494 4.106 20 0 DIADHO [NH3+][C@@H]1C[C@H](NC[C@H]2CCC[C@H](C(F)(F)F)C2)c2ccccc21 ZINC000422844884 1042691800 /nfs/dbraw/zinc/69/18/00/1042691800.db2.gz ANDZAKSAHAOYNI-RKLWJJNISA-N 1 3 312.379 4.090 20 0 DIADHO c1ccc(CC[C@@H](N[C@H]2CCC[NH2+]CC2)c2ccccc2)cc1 ZINC000422948206 1042694710 /nfs/dbraw/zinc/69/47/10/1042694710.db2.gz QXVHBZUJMKWXHJ-LEWJYISDSA-N 1 3 308.469 4.092 20 0 DIADHO C[C@H](CCC[NH3+])NC1(c2c(Cl)cccc2Cl)CCC1 ZINC000423089079 1042697055 /nfs/dbraw/zinc/69/70/55/1042697055.db2.gz RONWGOLZODQQHR-LLVKDONJSA-N 1 3 301.261 4.090 20 0 DIADHO C[C@@H]([NH2+]CC1(N)CCCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000423178107 1042699572 /nfs/dbraw/zinc/69/95/72/1042699572.db2.gz KCQXEFOVXMQMLH-UONOGXRCSA-N 1 3 317.502 4.040 20 0 DIADHO CC(C)Oc1ccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423289822 1042704440 /nfs/dbraw/zinc/70/44/40/1042704440.db2.gz BQIXIDATELHMMU-CVEARBPZSA-N 1 3 312.457 4.344 20 0 DIADHO CC(C)(N)C[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000423287255 1042704509 /nfs/dbraw/zinc/70/45/09/1042704509.db2.gz LCZKRZFSLPQCSC-AWEZNQCLSA-N 1 3 308.878 4.012 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2nccc3ccccc32)cc1 ZINC000423291331 1042704530 /nfs/dbraw/zinc/70/45/30/1042704530.db2.gz HWQNDRQDAYHZAO-CABCVRRESA-N 1 3 305.425 4.105 20 0 DIADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(F)c(Cl)c2)cc1 ZINC000423293016 1042704845 /nfs/dbraw/zinc/70/48/45/1042704845.db2.gz PIULJCAXZDQLGD-RYUDHWBXSA-N 1 3 306.812 4.350 20 0 DIADHO CSc1ccc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423292943 1042705100 /nfs/dbraw/zinc/70/51/00/1042705100.db2.gz PAMCVXRCAVEGJP-ZIAGYGMSSA-N 1 3 300.471 4.279 20 0 DIADHO COc1cccc2cc([C@@H](C)NCc3ccc([C@@H](C)[NH3+])cc3)oc21 ZINC000423292126 1042705430 /nfs/dbraw/zinc/70/54/30/1042705430.db2.gz LMMGURPUAQCYIH-ZIAGYGMSSA-N 1 3 324.424 4.312 20 0 DIADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000423450299 1042712074 /nfs/dbraw/zinc/71/20/74/1042712074.db2.gz XDMYSYNQGUVDPX-VZJVUDMVSA-N 1 3 313.272 4.032 20 0 DIADHO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+][C@@H](C)[C@H](C)N ZINC000423451014 1042712304 /nfs/dbraw/zinc/71/23/04/1042712304.db2.gz UIGLCWZQNYGACI-DCAQKATOSA-N 1 3 323.893 4.158 20 0 DIADHO C[C@H](N)[C@H](C)[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000423465037 1042714214 /nfs/dbraw/zinc/71/42/14/1042714214.db2.gz MJJRTCMVGKFEKT-SLEUVZQESA-N 1 3 308.878 4.011 20 0 DIADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc2ccccc2n1 ZINC000423497832 1042716401 /nfs/dbraw/zinc/71/64/01/1042716401.db2.gz HKAILUINJPTXAU-UZLBHIALSA-N 1 3 319.452 4.366 20 0 DIADHO CC[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1F ZINC000423497408 1042716779 /nfs/dbraw/zinc/71/67/79/1042716779.db2.gz GWEUQFZGGYJMPP-OALUTQOASA-N 1 3 318.411 4.486 20 0 DIADHO C[C@@H](C[NH2+][C@H]1CCCSc2ccc(Cl)cc21)CN(C)C ZINC000425926365 1042875513 /nfs/dbraw/zinc/87/55/13/1042875513.db2.gz RYMAFPWZDSUWQT-WFASDCNBSA-N 1 3 312.910 4.054 20 0 DIADHO C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC(C)(C)C1 ZINC001167967602 1042953948 /nfs/dbraw/zinc/95/39/48/1042953948.db2.gz IKLVASCBNYFUAU-VAYAGCRFSA-N 1 3 304.522 4.196 20 0 DIADHO c1ccc([C@@H]2CCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)cc1 ZINC001167977517 1042973296 /nfs/dbraw/zinc/97/32/96/1042973296.db2.gz DADZVRWQSHVSON-GLHNNUHNSA-N 1 3 324.512 4.318 20 0 DIADHO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1)C1CCCCC1 ZINC001167981790 1042974830 /nfs/dbraw/zinc/97/48/30/1042974830.db2.gz KFEUGBMRVIYNSO-NXEWRWPSSA-N 1 3 304.522 4.340 20 0 DIADHO C[NH+](C)CCCCCCCNCc1c(F)ccc(F)c1Cl ZINC001648956585 1043014362 /nfs/dbraw/zinc/01/43/62/1043014362.db2.gz PQAHWUCEGCTLDR-UHFFFAOYSA-N 1 3 318.839 4.220 20 0 DIADHO CCCN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167993948 1043064847 /nfs/dbraw/zinc/06/48/47/1043064847.db2.gz UFLGYXUUZZLUJY-WCRBZPEASA-N 1 3 312.501 4.304 20 0 DIADHO CCCN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167993948 1043064859 /nfs/dbraw/zinc/06/48/59/1043064859.db2.gz UFLGYXUUZZLUJY-WCRBZPEASA-N 1 3 312.501 4.304 20 0 DIADHO CCC[N@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167993948 1043064868 /nfs/dbraw/zinc/06/48/68/1043064868.db2.gz UFLGYXUUZZLUJY-WCRBZPEASA-N 1 3 312.501 4.304 20 0 DIADHO CCC[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167993948 1043064877 /nfs/dbraw/zinc/06/48/77/1043064877.db2.gz UFLGYXUUZZLUJY-WCRBZPEASA-N 1 3 312.501 4.304 20 0 DIADHO CC[C@H](c1ccccc1)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995083 1043066660 /nfs/dbraw/zinc/06/66/60/1043066660.db2.gz VLUGDJONAHGMDO-JGUMPVPUSA-N 1 3 312.501 4.475 20 0 DIADHO CC[C@H](c1ccccc1)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995083 1043066669 /nfs/dbraw/zinc/06/66/69/1043066669.db2.gz VLUGDJONAHGMDO-JGUMPVPUSA-N 1 3 312.501 4.475 20 0 DIADHO CC[C@H](c1ccccc1)[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995083 1043066677 /nfs/dbraw/zinc/06/66/77/1043066677.db2.gz VLUGDJONAHGMDO-JGUMPVPUSA-N 1 3 312.501 4.475 20 0 DIADHO CC[C@H](c1ccccc1)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995083 1043066684 /nfs/dbraw/zinc/06/66/84/1043066684.db2.gz VLUGDJONAHGMDO-JGUMPVPUSA-N 1 3 312.501 4.475 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](c2ccccn2)C(C)C)c1 ZINC000866260615 1043167176 /nfs/dbraw/zinc/16/71/76/1043167176.db2.gz VVYAEXCCZBVJNT-HXUWFJFHSA-N 1 3 311.473 4.020 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](c2ccccn2)C(C)C)c1 ZINC000866260615 1043167180 /nfs/dbraw/zinc/16/71/80/1043167180.db2.gz VVYAEXCCZBVJNT-HXUWFJFHSA-N 1 3 311.473 4.020 20 0 DIADHO Cc1ccc([C@H](NC2CC[NH+](CC3CC3)CC2)C2CCC2)cc1 ZINC000427602208 1043235794 /nfs/dbraw/zinc/23/57/94/1043235794.db2.gz FCEJFTLFGHUZLH-OAQYLSRUSA-N 1 3 312.501 4.300 20 0 DIADHO CC[C@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(F)c1 ZINC000187729046 1043248992 /nfs/dbraw/zinc/24/89/92/1043248992.db2.gz MLTLNCRDIABDIE-IBGZPJMESA-N 1 3 300.421 4.128 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCCNc3ccccc32)c1 ZINC000192827906 1043275252 /nfs/dbraw/zinc/27/52/52/1043275252.db2.gz BDCBRBSRWIESAA-OAQYLSRUSA-N 1 3 323.484 4.175 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCCNc3ccccc32)c1 ZINC000192827906 1043275255 /nfs/dbraw/zinc/27/52/55/1043275255.db2.gz BDCBRBSRWIESAA-OAQYLSRUSA-N 1 3 323.484 4.175 20 0 DIADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2cccc(O)c2)c1 ZINC000194856135 1043295272 /nfs/dbraw/zinc/29/52/72/1043295272.db2.gz QHMXQOZQTXALSQ-INIZCTEOSA-N 1 3 312.457 4.085 20 0 DIADHO C[C@H]([NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1)c1ccccn1 ZINC001168012141 1043337348 /nfs/dbraw/zinc/33/73/48/1043337348.db2.gz WVBVYRMJTXFICE-BZSNNMDCSA-N 1 3 323.484 4.174 20 0 DIADHO C[C@H]([NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1)c1ccccn1 ZINC001168012143 1043337496 /nfs/dbraw/zinc/33/74/96/1043337496.db2.gz WVBVYRMJTXFICE-KURKYZTESA-N 1 3 323.484 4.174 20 0 DIADHO C[C@H](NCc1coc2ccccc12)c1cccc(C[NH+](C)C)c1 ZINC000925417951 1043416010 /nfs/dbraw/zinc/41/60/10/1043416010.db2.gz RDFOCOZZYWZDSY-HNNXBMFYSA-N 1 3 308.425 4.345 20 0 DIADHO Cc1c2ccccc2oc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925497312 1043423609 /nfs/dbraw/zinc/42/36/09/1043423609.db2.gz GWEZEJMCNIICRO-SFHVURJKSA-N 1 3 308.425 4.311 20 0 DIADHO C[C@@H]1C[C@@H](N[C@H]2CC(C)(C)Sc3ccccc32)CC[N@@H+]1C ZINC000872040701 1043431450 /nfs/dbraw/zinc/43/14/50/1043431450.db2.gz ZSWYNCLTJVBRQC-YCPHGPKFSA-N 1 3 304.503 4.074 20 0 DIADHO C[C@@H]1C[C@@H](N[C@H]2CC(C)(C)Sc3ccccc32)CC[N@H+]1C ZINC000872040701 1043431461 /nfs/dbraw/zinc/43/14/61/1043431461.db2.gz ZSWYNCLTJVBRQC-YCPHGPKFSA-N 1 3 304.503 4.074 20 0 DIADHO CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000872052200 1043435815 /nfs/dbraw/zinc/43/58/15/1043435815.db2.gz MGCWXPWOHZFVHA-GJZGRUSLSA-N 1 3 308.432 4.065 20 0 DIADHO CC[C@H](CCC(F)(F)F)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000872060445 1043443504 /nfs/dbraw/zinc/44/35/04/1043443504.db2.gz QBAUAASKJUTJEU-SOUVJXGZSA-N 1 3 320.443 4.350 20 0 DIADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)NCCC(C)(C)[NH3+] ZINC000925742646 1043460678 /nfs/dbraw/zinc/46/06/78/1043460678.db2.gz WEGUKMANJXKJKM-NSHDSACASA-N 1 3 321.465 4.036 20 0 DIADHO COc1cccc(C2(N[C@@H](C)c3cccc(C[NH+](C)C)c3)CC2)c1 ZINC000925897398 1043489613 /nfs/dbraw/zinc/48/96/13/1043489613.db2.gz MLDPBSCCLVPZGA-INIZCTEOSA-N 1 3 324.468 4.097 20 0 DIADHO CC(C)C[C@H](C[NH2+]C[C@@H]1CCN(C(C)C)C1)c1ccccc1 ZINC000558419430 1043505860 /nfs/dbraw/zinc/50/58/60/1043505860.db2.gz WNGFWBSGQKOWMW-AZUAARDMSA-N 1 3 302.506 4.136 20 0 DIADHO CC(C)(NCc1cc2c(s1)CC[NH2+]C2)c1cccc(Cl)c1 ZINC000873206888 1043528953 /nfs/dbraw/zinc/52/89/53/1043528953.db2.gz MVHVMWAVKZNCMW-UHFFFAOYSA-N 1 3 320.889 4.072 20 0 DIADHO C[C@@H]([NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1)c1ccccn1 ZINC001168017075 1043554487 /nfs/dbraw/zinc/55/44/87/1043554487.db2.gz WVBVYRMJTXFICE-KZNAEPCWSA-N 1 3 323.484 4.174 20 0 DIADHO CCCCc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000314643674 1043558856 /nfs/dbraw/zinc/55/88/56/1043558856.db2.gz FNVCZVAXXRLBLW-FUHWJXTLSA-N 1 3 300.490 4.164 20 0 DIADHO CCCCc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000314643674 1043558864 /nfs/dbraw/zinc/55/88/64/1043558864.db2.gz FNVCZVAXXRLBLW-FUHWJXTLSA-N 1 3 300.490 4.164 20 0 DIADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1csc(C(F)(F)F)c1 ZINC000926541130 1043596616 /nfs/dbraw/zinc/59/66/16/1043596616.db2.gz KYKCLBFSQYGJKV-NSNUZPRRSA-N 1 3 318.408 4.043 20 0 DIADHO CC[C@H](C[NH2+]C1CCN(CCC(C)C)CC1)CC(F)(F)F ZINC000926586940 1043604731 /nfs/dbraw/zinc/60/47/31/1043604731.db2.gz IICZFIDEMUTDKC-AWEZNQCLSA-N 1 3 308.432 4.065 20 0 DIADHO C[C@H]1C[C@@H](CF)N([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039246 1043853123 /nfs/dbraw/zinc/85/31/23/1043853123.db2.gz CMUPLSWZGFPHCP-GCLMUHHRSA-N 1 3 318.480 4.108 20 0 DIADHO C[C@H]1C[C@@H](CF)N([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039246 1043853137 /nfs/dbraw/zinc/85/31/37/1043853137.db2.gz CMUPLSWZGFPHCP-GCLMUHHRSA-N 1 3 318.480 4.108 20 0 DIADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000443855002 1044040929 /nfs/dbraw/zinc/04/09/29/1044040929.db2.gz OZUCROAYMGLHML-PNYFIKQUSA-N 1 3 304.522 4.221 20 0 DIADHO CCC[C@H](NC1CC[NH+](C2CCC2)CC1)c1ccc(OC)cc1 ZINC000360508813 1044277977 /nfs/dbraw/zinc/27/79/77/1044277977.db2.gz AIQJYCDSEAWXFB-FQEVSTJZSA-N 1 3 316.489 4.143 20 0 DIADHO Clc1cccc(C2CC(NC3CC([NH+]4CCCCC4)C3)C2)c1 ZINC000475569571 1044508589 /nfs/dbraw/zinc/50/85/89/1044508589.db2.gz JNWLFISPEWLTAN-UHFFFAOYSA-N 1 3 318.892 4.193 20 0 DIADHO CCc1ccccc1CC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000444669583 1044599179 /nfs/dbraw/zinc/59/91/79/1044599179.db2.gz GTJABBAYXQOIDA-FXAWDEMLSA-N 1 3 314.517 4.034 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2CCc2ccccc2)C1 ZINC000568140566 1044606003 /nfs/dbraw/zinc/60/60/03/1044606003.db2.gz PLUMYDNNCZCHLX-NJYVYQBISA-N 1 3 314.517 4.108 20 0 DIADHO C[NH+](C)CCOc1cccc(Nc2ccnc(C(C)(C)C)c2)c1 ZINC001212805127 1044611477 /nfs/dbraw/zinc/61/14/77/1044611477.db2.gz NZALHNFHIHVVND-UHFFFAOYSA-N 1 3 313.445 4.063 20 0 DIADHO Cc1cnccc1CNCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000296529660 1044624722 /nfs/dbraw/zinc/62/47/22/1044624722.db2.gz SMGVIWSACONLPZ-GOSISDBHSA-N 1 3 323.484 4.054 20 0 DIADHO Cc1cnccc1CNCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000296529660 1044624728 /nfs/dbraw/zinc/62/47/28/1044624728.db2.gz SMGVIWSACONLPZ-GOSISDBHSA-N 1 3 323.484 4.054 20 0 DIADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)c2ccccc21 ZINC000296530994 1044625831 /nfs/dbraw/zinc/62/58/31/1044625831.db2.gz QLAANUJPYBVRQG-WZYMTQMTSA-N 1 3 312.432 4.255 20 0 DIADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)c2ccccc21 ZINC000296530994 1044625837 /nfs/dbraw/zinc/62/58/37/1044625837.db2.gz QLAANUJPYBVRQG-WZYMTQMTSA-N 1 3 312.432 4.255 20 0 DIADHO Cc1ccc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000568524051 1044632700 /nfs/dbraw/zinc/63/27/00/1044632700.db2.gz PTEOVRIGOPEVHR-SIKLNZKXSA-N 1 3 322.496 4.480 20 0 DIADHO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000568524051 1044632706 /nfs/dbraw/zinc/63/27/06/1044632706.db2.gz PTEOVRIGOPEVHR-SIKLNZKXSA-N 1 3 322.496 4.480 20 0 DIADHO C[C@H](c1ccc(Oc2ccccc2)cc1)[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000445315723 1044701821 /nfs/dbraw/zinc/70/18/21/1044701821.db2.gz IVJAKSDGQLWYPE-QZTJIDSGSA-N 1 3 324.468 4.423 20 0 DIADHO C[C@H](c1ccc(Oc2ccccc2)cc1)[N@H+]1CC[C@H](CN(C)C)C1 ZINC000445315723 1044701827 /nfs/dbraw/zinc/70/18/27/1044701827.db2.gz IVJAKSDGQLWYPE-QZTJIDSGSA-N 1 3 324.468 4.423 20 0 DIADHO C[NH+](C)Cc1cccc(CN[C@H]2CCSc3ccccc32)c1 ZINC000123620142 1044787032 /nfs/dbraw/zinc/78/70/32/1044787032.db2.gz UAURLRWCBKWPJC-SFHVURJKSA-N 1 3 312.482 4.075 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(F)cc2)c1 ZINC000123981427 1044791664 /nfs/dbraw/zinc/79/16/64/1044791664.db2.gz VLGRIQNZJVJRNT-OAHLLOKOSA-N 1 3 300.421 4.128 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(F)cc2)c1 ZINC000123981427 1044791675 /nfs/dbraw/zinc/79/16/75/1044791675.db2.gz VLGRIQNZJVJRNT-OAHLLOKOSA-N 1 3 300.421 4.128 20 0 DIADHO CC(C)[C@@H](NCc1ccc(C[NH3+])cc1)c1cc2ccccc2o1 ZINC000575401974 1044997799 /nfs/dbraw/zinc/99/77/99/1044997799.db2.gz XDNZSIZESMXNGD-HXUWFJFHSA-N 1 3 308.425 4.378 20 0 DIADHO C[N@H+](C/C=C/c1ccccc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000525268839 1045024609 /nfs/dbraw/zinc/02/46/09/1045024609.db2.gz BOHVTFCHTUCRAC-MKGTUJQCSA-N 1 3 320.480 4.154 20 0 DIADHO C[N@@H+](C/C=C/c1ccccc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000525268839 1045024620 /nfs/dbraw/zinc/02/46/20/1045024620.db2.gz BOHVTFCHTUCRAC-MKGTUJQCSA-N 1 3 320.480 4.154 20 0 DIADHO Cc1nc(-c2ccc([C@H](C)N[C@@H]3CCC[C@@H]([NH3+])C3)cc2)cs1 ZINC000576530660 1045063575 /nfs/dbraw/zinc/06/35/75/1045063575.db2.gz YHTIUGMCAYMOGX-JCURWCKSSA-N 1 3 315.486 4.039 20 0 DIADHO C[N@@H+]1CC[C@H](NC2(c3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000576772424 1045077528 /nfs/dbraw/zinc/07/75/28/1045077528.db2.gz URBNDBDPMYQKBW-PMACEKPBSA-N 1 3 306.453 4.101 20 0 DIADHO C[N@H+]1CC[C@H](NC2(c3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000576772424 1045077540 /nfs/dbraw/zinc/07/75/40/1045077540.db2.gz URBNDBDPMYQKBW-PMACEKPBSA-N 1 3 306.453 4.101 20 0 DIADHO C[N@@H+]1CC[C@H](NC2(c3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000576772426 1045078717 /nfs/dbraw/zinc/07/87/17/1045078717.db2.gz URBNDBDPMYQKBW-VQTJNVASSA-N 1 3 306.453 4.101 20 0 DIADHO C[N@H+]1CC[C@H](NC2(c3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000576772426 1045078728 /nfs/dbraw/zinc/07/87/28/1045078728.db2.gz URBNDBDPMYQKBW-VQTJNVASSA-N 1 3 306.453 4.101 20 0 DIADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1coc2ccccc21 ZINC000924609685 1045181928 /nfs/dbraw/zinc/18/19/28/1045181928.db2.gz VIXHJUYSZYZJBK-HNNXBMFYSA-N 1 3 308.425 4.345 20 0 DIADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1csc2ccccc12 ZINC000924648574 1045186982 /nfs/dbraw/zinc/18/69/82/1045186982.db2.gz LTJVKZRUEFFTGF-ZIAGYGMSSA-N 1 3 300.471 4.036 20 0 DIADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1csc2ccccc12 ZINC000924648574 1045186986 /nfs/dbraw/zinc/18/69/86/1045186986.db2.gz LTJVKZRUEFFTGF-ZIAGYGMSSA-N 1 3 300.471 4.036 20 0 DIADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1csc2ccccc12 ZINC000924648572 1045187657 /nfs/dbraw/zinc/18/76/57/1045187657.db2.gz LTJVKZRUEFFTGF-KGLIPLIRSA-N 1 3 300.471 4.036 20 0 DIADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1csc2ccccc12 ZINC000924648572 1045187659 /nfs/dbraw/zinc/18/76/59/1045187659.db2.gz LTJVKZRUEFFTGF-KGLIPLIRSA-N 1 3 300.471 4.036 20 0 DIADHO CC[NH+](CC)CC1CCN(C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000579646568 1045328003 /nfs/dbraw/zinc/32/80/03/1045328003.db2.gz YHPGYWVIHHCIBO-AATRIKPKSA-N 1 3 322.443 4.032 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)Cc2coc3ccccc23)C1 ZINC000449129630 1045350146 /nfs/dbraw/zinc/35/01/46/1045350146.db2.gz DABVCRFRUPCUBS-DLBZAZTESA-N 1 3 314.473 4.074 20 0 DIADHO CSC[C@@H](C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449163784 1045357236 /nfs/dbraw/zinc/35/72/36/1045357236.db2.gz WZHQOXOHRMRUDC-CQSZACIVSA-N 1 3 300.556 4.007 20 0 DIADHO CSCC1CCC([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 ZINC000449231300 1045365405 /nfs/dbraw/zinc/36/54/05/1045365405.db2.gz DCUZWTHDMBVVOX-RZZCCWGQSA-N 1 3 324.578 4.151 20 0 DIADHO C[C@H](CC[NH2+]C1CCC(OC2CCCC2)CC1)N1CCCCC1 ZINC000449238536 1045367027 /nfs/dbraw/zinc/36/70/27/1045367027.db2.gz GMQRVTYCKWVBDQ-PGYGNJIDSA-N 1 3 322.537 4.111 20 0 DIADHO C[C@H]1CSC[C@@H]1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449323066 1045374661 /nfs/dbraw/zinc/37/46/61/1045374661.db2.gz RLZFHMBRKDWZMJ-HOCLYGCPSA-N 1 3 312.567 4.007 20 0 DIADHO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000450724603 1045556060 /nfs/dbraw/zinc/55/60/60/1045556060.db2.gz GRIFLYDUGZMGKV-WBVHZDCISA-N 1 3 320.908 4.125 20 0 DIADHO Cc1ccsc1CNC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000380914262 1045556093 /nfs/dbraw/zinc/55/60/93/1045556093.db2.gz PSIDMCRBQZQBTO-IBGZPJMESA-N 1 3 314.498 4.058 20 0 DIADHO Cc1ccsc1CNC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000380914262 1045556104 /nfs/dbraw/zinc/55/61/04/1045556104.db2.gz PSIDMCRBQZQBTO-IBGZPJMESA-N 1 3 314.498 4.058 20 0 DIADHO CNc1ccccc1CNCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000902042779 1045895659 /nfs/dbraw/zinc/89/56/59/1045895659.db2.gz VNWWBFMZPMPWJB-UHFFFAOYSA-N 1 3 323.484 4.004 20 0 DIADHO CCCCCOc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000531716355 1045905183 /nfs/dbraw/zinc/90/51/83/1045905183.db2.gz RVSAQPOHPJNEMZ-ROUUACIJSA-N 1 3 318.505 4.248 20 0 DIADHO CCCCCOc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000531716355 1045905199 /nfs/dbraw/zinc/90/51/99/1045905199.db2.gz RVSAQPOHPJNEMZ-ROUUACIJSA-N 1 3 318.505 4.248 20 0 DIADHO Cc1ccccc1CN[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902326740 1045974572 /nfs/dbraw/zinc/97/45/72/1045974572.db2.gz DORPVJJRMDQDDC-IBGZPJMESA-N 1 3 318.411 4.233 20 0 DIADHO C[C@@H]1C[C@@H](N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)CC[N@@H+]1C ZINC000453308365 1046027173 /nfs/dbraw/zinc/02/71/73/1046027173.db2.gz DLRURMMQQLYQHB-HYSWKAIVSA-N 1 3 310.844 4.003 20 0 DIADHO C[C@@H]1C[C@@H](N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)CC[N@H+]1C ZINC000453308365 1046027187 /nfs/dbraw/zinc/02/71/87/1046027187.db2.gz DLRURMMQQLYQHB-HYSWKAIVSA-N 1 3 310.844 4.003 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000532214871 1046117645 /nfs/dbraw/zinc/11/76/45/1046117645.db2.gz YWEQIAUONJLJHY-KBXCAEBGSA-N 1 3 306.881 4.037 20 0 DIADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1cc2cccc(F)c2o1 ZINC000475706328 1046165687 /nfs/dbraw/zinc/16/56/87/1046165687.db2.gz NYHBNTIKUROLTH-CQSZACIVSA-N 1 3 304.409 4.099 20 0 DIADHO C[C@H](Cc1ccc(Cl)cc1)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001168152300 1046168783 /nfs/dbraw/zinc/16/87/83/1046168783.db2.gz ONSMRIKDSGKYAD-CYBMUJFWSA-N 1 3 308.897 4.251 20 0 DIADHO Cc1ccc2cc([C@@H](C)NCc3cccc4c3CC[NH2+]C4)oc2c1 ZINC000635006529 1046170834 /nfs/dbraw/zinc/17/08/34/1046170834.db2.gz CBNYLBGZYTXMHI-OAHLLOKOSA-N 1 3 320.436 4.238 20 0 DIADHO C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(-c2ccncc2)c1 ZINC000635011631 1046173083 /nfs/dbraw/zinc/17/30/83/1046173083.db2.gz OKPIBDQTMNOKPI-OXQOHEQNSA-N 1 3 323.484 4.177 20 0 DIADHO CSC1CCC(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000903155815 1046178157 /nfs/dbraw/zinc/17/81/57/1046178157.db2.gz INHXRPAABBYSMR-UHFFFAOYSA-N 1 3 324.578 4.295 20 0 DIADHO C[C@H](NC1CCC(C)([NH+]2CCCC2)CC1)c1cccnc1Cl ZINC000903252805 1046208941 /nfs/dbraw/zinc/20/89/41/1046208941.db2.gz HLFORSKAEJDDDI-SYJJWHGVSA-N 1 3 321.896 4.183 20 0 DIADHO Cc1cc(CN2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c(C)s1 ZINC001138571435 1046231798 /nfs/dbraw/zinc/23/17/98/1046231798.db2.gz XSVYLCUMGCSPFJ-ZWKOTPCHSA-N 1 3 306.519 4.204 20 0 DIADHO Cc1cc(CN2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c(C)s1 ZINC001138571435 1046231809 /nfs/dbraw/zinc/23/18/09/1046231809.db2.gz XSVYLCUMGCSPFJ-ZWKOTPCHSA-N 1 3 306.519 4.204 20 0 DIADHO Cc1cc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)c(C)s1 ZINC001138571435 1046231812 /nfs/dbraw/zinc/23/18/12/1046231812.db2.gz XSVYLCUMGCSPFJ-ZWKOTPCHSA-N 1 3 306.519 4.204 20 0 DIADHO Cc1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)c(C)s1 ZINC001138571435 1046231825 /nfs/dbraw/zinc/23/18/25/1046231825.db2.gz XSVYLCUMGCSPFJ-ZWKOTPCHSA-N 1 3 306.519 4.204 20 0 DIADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(-c4cccs4)s3)C2)C1 ZINC001139023619 1046362702 /nfs/dbraw/zinc/36/27/02/1046362702.db2.gz VDGMKPYLWGODFL-QGZVFWFLSA-N 1 3 318.511 4.004 20 0 DIADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4cccs4)s3)C2)C1 ZINC001139023619 1046362711 /nfs/dbraw/zinc/36/27/11/1046362711.db2.gz VDGMKPYLWGODFL-QGZVFWFLSA-N 1 3 318.511 4.004 20 0 DIADHO c1ccc(-c2cccc(CCN[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)cc1 ZINC000677239872 1046476165 /nfs/dbraw/zinc/47/61/65/1046476165.db2.gz NKUAGEGYBRNWMX-VXKWHMMOSA-N 1 3 320.480 4.113 20 0 DIADHO c1ccc(-c2cccc(CCN[C@H]3CC[N@H+]4CCC[C@H]4C3)c2)cc1 ZINC000677239872 1046476173 /nfs/dbraw/zinc/47/61/73/1046476173.db2.gz NKUAGEGYBRNWMX-VXKWHMMOSA-N 1 3 320.480 4.113 20 0 DIADHO CCC(CC)[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000677237880 1046477436 /nfs/dbraw/zinc/47/74/36/1046477436.db2.gz PDSXHBJFSHMUHL-NUJGCVRESA-N 1 3 306.519 4.442 20 0 DIADHO CCC(CC)[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000677237880 1046477440 /nfs/dbraw/zinc/47/74/40/1046477440.db2.gz PDSXHBJFSHMUHL-NUJGCVRESA-N 1 3 306.519 4.442 20 0 DIADHO Fc1ccccc1-c1ccc(C[NH2+]CCCN2CCCC2)s1 ZINC000641973063 1046534603 /nfs/dbraw/zinc/53/46/03/1046534603.db2.gz UUXUUWVZGLANTK-UHFFFAOYSA-N 1 3 318.461 4.130 20 0 DIADHO c1cc2cnccc2c(CN2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001140145041 1046600610 /nfs/dbraw/zinc/60/06/10/1046600610.db2.gz XYXQOWREDAJBAW-FQEVSTJZSA-N 1 3 323.484 4.075 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(C)nc2C)c1 ZINC000678424612 1046634657 /nfs/dbraw/zinc/63/46/57/1046634657.db2.gz QEELYGYBCQSIHO-INIZCTEOSA-N 1 3 311.473 4.001 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(C)nc2C)c1 ZINC000678424612 1046634662 /nfs/dbraw/zinc/63/46/62/1046634662.db2.gz QEELYGYBCQSIHO-INIZCTEOSA-N 1 3 311.473 4.001 20 0 DIADHO C[C@@H]1C[C@H]1[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000248825281 1046636728 /nfs/dbraw/zinc/63/67/28/1046636728.db2.gz FYMVSILIKKXRRI-FNEVGXLHSA-N 1 3 318.892 4.252 20 0 DIADHO C[C@@H]1C[C@H]1[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000248825281 1046636734 /nfs/dbraw/zinc/63/67/34/1046636734.db2.gz FYMVSILIKKXRRI-FNEVGXLHSA-N 1 3 318.892 4.252 20 0 DIADHO COc1cc(C)ccc1[C@@H](C)N[C@H](CCC[NH3+])c1ccccc1 ZINC000643543751 1046670970 /nfs/dbraw/zinc/67/09/70/1046670970.db2.gz KINRAWTWAHIOBH-VQIMIIECSA-N 1 3 312.457 4.134 20 0 DIADHO Clc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCNC4(CCC4)C3)C2)c1 ZINC000643548350 1046673411 /nfs/dbraw/zinc/67/34/11/1046673411.db2.gz ODUCMDUNWAMSLZ-BPQIPLTHSA-N 1 3 318.892 4.240 20 0 DIADHO CCCCN1CCC([NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000678923977 1046732369 /nfs/dbraw/zinc/73/23/69/1046732369.db2.gz FWNQHKQUACPXQJ-LJQANCHMSA-N 1 3 304.453 4.057 20 0 DIADHO CC(C)[N@H+](CCCc1cccc(Cl)c1)[C@@H]1CCCNCC1 ZINC001206580547 1046867424 /nfs/dbraw/zinc/86/74/24/1046867424.db2.gz DQCACNAUOGRADJ-GOSISDBHSA-N 1 3 308.897 4.125 20 0 DIADHO CC(C)[N@@H+](CCCc1cccc(Cl)c1)[C@@H]1CCCNCC1 ZINC001206580547 1046867446 /nfs/dbraw/zinc/86/74/46/1046867446.db2.gz DQCACNAUOGRADJ-GOSISDBHSA-N 1 3 308.897 4.125 20 0 DIADHO CCC[C@@H](NC1CC[NH+](CCC)CC1)c1ccc(OC)cc1 ZINC000161594395 1046908472 /nfs/dbraw/zinc/90/84/72/1046908472.db2.gz HWMKRDPJTLOIQA-LJQANCHMSA-N 1 3 304.478 4.000 20 0 DIADHO C[N@H+](CCCN1CCCC1)Cc1ccccc1-c1cccs1 ZINC001141095716 1047009964 /nfs/dbraw/zinc/00/99/64/1047009964.db2.gz UKRAZYAPSHXYES-UHFFFAOYSA-N 1 3 314.498 4.333 20 0 DIADHO C[N@@H+](CCCN1CCCC1)Cc1ccccc1-c1cccs1 ZINC001141095716 1047009976 /nfs/dbraw/zinc/00/99/76/1047009976.db2.gz UKRAZYAPSHXYES-UHFFFAOYSA-N 1 3 314.498 4.333 20 0 DIADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000321664382 1047012560 /nfs/dbraw/zinc/01/25/60/1047012560.db2.gz ZFRNUHDEJXTZPT-ZWKOTPCHSA-N 1 3 308.469 4.346 20 0 DIADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000321664382 1047012572 /nfs/dbraw/zinc/01/25/72/1047012572.db2.gz ZFRNUHDEJXTZPT-ZWKOTPCHSA-N 1 3 308.469 4.346 20 0 DIADHO Cc1ccccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379641913 1047093441 /nfs/dbraw/zinc/09/34/41/1047093441.db2.gz DMKVQPBWGBCQIY-WIYYLYMNSA-N 1 3 308.469 4.138 20 0 DIADHO Cc1ccccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379641913 1047093457 /nfs/dbraw/zinc/09/34/57/1047093457.db2.gz DMKVQPBWGBCQIY-WIYYLYMNSA-N 1 3 308.469 4.138 20 0 DIADHO CCCCCOc1ccc(C[NH2+]C[C@H]2CCCN(CC)C2)cc1 ZINC001116018434 1047100677 /nfs/dbraw/zinc/10/06/77/1047100677.db2.gz CJXLIEXYJJXKIJ-LJQANCHMSA-N 1 3 318.505 4.077 20 0 DIADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2oc3ccccc3c2C)C1 ZINC001116293261 1047127413 /nfs/dbraw/zinc/12/74/13/1047127413.db2.gz LFIZHXXSMBVTHQ-CVEARBPZSA-N 1 3 300.446 4.124 20 0 DIADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(F)c1F ZINC000537352243 1047174476 /nfs/dbraw/zinc/17/44/76/1047174476.db2.gz RRPBXNVWXAQHFM-LSDHHAIUSA-N 1 3 310.432 4.270 20 0 DIADHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cccc(F)c1F ZINC000537352243 1047174481 /nfs/dbraw/zinc/17/44/81/1047174481.db2.gz RRPBXNVWXAQHFM-LSDHHAIUSA-N 1 3 310.432 4.270 20 0 DIADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cccc(F)c1F ZINC000537352242 1047174754 /nfs/dbraw/zinc/17/47/54/1047174754.db2.gz RRPBXNVWXAQHFM-HUUCEWRRSA-N 1 3 310.432 4.270 20 0 DIADHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cccc(F)c1F ZINC000537352242 1047174759 /nfs/dbraw/zinc/17/47/59/1047174759.db2.gz RRPBXNVWXAQHFM-HUUCEWRRSA-N 1 3 310.432 4.270 20 0 DIADHO CC(C)[C@H](NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000035054262 1047221612 /nfs/dbraw/zinc/22/16/12/1047221612.db2.gz OKKBZECLBJHAAW-SFHVURJKSA-N 1 3 308.897 4.500 20 0 DIADHO C[NH2+]Cc1ccccc1CNCc1cccc(OC2CCCC2)c1 ZINC000650718879 1047277367 /nfs/dbraw/zinc/27/73/67/1047277367.db2.gz ZUKWCSRZYCZBHA-UHFFFAOYSA-N 1 3 324.468 4.017 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000650757277 1047280447 /nfs/dbraw/zinc/28/04/47/1047280447.db2.gz SWLFFGCQXSHRJR-LBPRGKRZSA-N 1 3 306.812 4.049 20 0 DIADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651829470 1047330547 /nfs/dbraw/zinc/33/05/47/1047330547.db2.gz DCBAROCFJDRERH-ROUUACIJSA-N 1 3 323.484 4.131 20 0 DIADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651829470 1047330560 /nfs/dbraw/zinc/33/05/60/1047330560.db2.gz DCBAROCFJDRERH-ROUUACIJSA-N 1 3 323.484 4.131 20 0 DIADHO CC(C)Sc1ccc([C@@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000119695945 1047469814 /nfs/dbraw/zinc/46/98/14/1047469814.db2.gz MDAYCOUKNFABAD-OAHLLOKOSA-N 1 3 318.530 4.465 20 0 DIADHO [NH3+]CCCCCCN[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000843342002 1047543209 /nfs/dbraw/zinc/54/32/09/1047543209.db2.gz MREJWQYZKXTYKT-FQEVSTJZSA-N 1 3 323.440 4.026 20 0 DIADHO C/C(=C/c1ccc(Cl)cc1)CNC[C@@H]1CCCC[N@@H+](C)C1 ZINC001203136741 1047549690 /nfs/dbraw/zinc/54/96/90/1047549690.db2.gz SRGRAJXVGDLDLF-HKBKRHGFSA-N 1 3 306.881 4.065 20 0 DIADHO C/C(=C/c1ccc(Cl)cc1)CNC[C@@H]1CCCC[N@H+](C)C1 ZINC001203136741 1047549697 /nfs/dbraw/zinc/54/96/97/1047549697.db2.gz SRGRAJXVGDLDLF-HKBKRHGFSA-N 1 3 306.881 4.065 20 0 DIADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CC(C)(C)c2ccccc2)C1 ZINC000314961583 1047591778 /nfs/dbraw/zinc/59/17/78/1047591778.db2.gz UWAFAHHRZDUCQX-ROUUACIJSA-N 1 3 302.506 4.063 20 0 DIADHO [NH3+]C[C@@H]1CCCCN(Cc2cc(-c3ccsc3)cs2)C1 ZINC001206640395 1047593709 /nfs/dbraw/zinc/59/37/09/1047593709.db2.gz JJPNJPOVEAHAOI-ZDUSSCGKSA-N 1 3 306.500 4.037 20 0 DIADHO Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995660 1047612653 /nfs/dbraw/zinc/61/26/53/1047612653.db2.gz VPNHZGJKDXHSNZ-UWWQBHOKSA-N 1 3 318.892 4.240 20 0 DIADHO Clc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCNC3(CCC3)C2)cc1 ZINC000666995424 1047612703 /nfs/dbraw/zinc/61/27/03/1047612703.db2.gz NPXCDLAHOBPFCI-OKZBNKHCSA-N 1 3 318.892 4.240 20 0 DIADHO CC1(c2ccccc2)CCC([NH2+][C@@H]2CCNC3(CCC3)C2)CC1 ZINC000666995152 1047613478 /nfs/dbraw/zinc/61/34/78/1047613478.db2.gz DWRFEHGSPSCYBO-IOJLRTSASA-N 1 3 312.501 4.151 20 0 DIADHO [NH3+]C[C@@H]1CCCCN(Cc2ccc(F)c(-c3ccccc3)c2)C1 ZINC001206648605 1047630348 /nfs/dbraw/zinc/63/03/48/1047630348.db2.gz NHVWYCWONLEXHZ-KRWDZBQOSA-N 1 3 312.432 4.054 20 0 DIADHO C[C@H](NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000537944907 1047645862 /nfs/dbraw/zinc/64/58/62/1047645862.db2.gz SGHRKGHFOXIZNL-JENIJYKNSA-N 1 3 312.457 4.231 20 0 DIADHO C[C@H](NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000537944907 1047645868 /nfs/dbraw/zinc/64/58/68/1047645868.db2.gz SGHRKGHFOXIZNL-JENIJYKNSA-N 1 3 312.457 4.231 20 0 DIADHO CC[NH+]1CCC(N[C@@H]2C[C@H]3CCC(C)(C)c4cccc2c43)CC1 ZINC000538462645 1047680096 /nfs/dbraw/zinc/68/00/96/1047680096.db2.gz SBWNSTWYONVCRV-DNVCBOLYSA-N 1 3 312.501 4.360 20 0 DIADHO C[NH+](C)Cc1ccc(CN[C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000479120421 1047840252 /nfs/dbraw/zinc/84/02/52/1047840252.db2.gz TTYKPTUBZBVECZ-IBGZPJMESA-N 1 3 314.860 4.179 20 0 DIADHO CC(C)CN1CCC([NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000479249418 1047853687 /nfs/dbraw/zinc/85/36/87/1047853687.db2.gz QVLWKEWPCFXYKR-SFHVURJKSA-N 1 3 306.881 4.037 20 0 DIADHO Cc1csc2sc(C[N@@H+]3C[C@H](C)CC[C@H]3CN)c(C)c12 ZINC001205827265 1047928040 /nfs/dbraw/zinc/92/80/40/1047928040.db2.gz GDPNZMBPDORKPO-MFKMUULPSA-N 1 3 308.516 4.139 20 0 DIADHO Cc1csc2sc(C[N@H+]3C[C@H](C)CC[C@H]3CN)c(C)c12 ZINC001205827265 1047928052 /nfs/dbraw/zinc/92/80/52/1047928052.db2.gz GDPNZMBPDORKPO-MFKMUULPSA-N 1 3 308.516 4.139 20 0 DIADHO CCC[C@H](C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001183571143 1047944483 /nfs/dbraw/zinc/94/44/83/1047944483.db2.gz FMESUKBOIAPDJA-VMXMFDLUSA-N 1 3 314.517 4.455 20 0 DIADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)Cc1ccccc1SC ZINC001184417809 1048036222 /nfs/dbraw/zinc/03/62/22/1048036222.db2.gz HPCXKFCMAZYFDL-JKSUJKDBSA-N 1 3 308.535 4.050 20 0 DIADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC001199329163 1048057958 /nfs/dbraw/zinc/05/79/58/1048057958.db2.gz OHVFHHMVWUHEDL-HDICACEKSA-N 1 3 306.538 4.447 20 0 DIADHO C[C@@H](C[NH2+]C1CCC(C2CCCCC2)CC1)CN1CCCC1 ZINC001199403296 1048064578 /nfs/dbraw/zinc/06/45/78/1048064578.db2.gz QKCMASZEQBNQSB-KKXNLOMOSA-N 1 3 306.538 4.447 20 0 DIADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000480145681 1048068709 /nfs/dbraw/zinc/06/87/09/1048068709.db2.gz HNZHCWWYODJRAR-LSDHHAIUSA-N 1 3 308.432 4.065 20 0 DIADHO CC(C)CC[NH+]1CCC(CNCc2ccsc2Cl)CC1 ZINC001200871913 1048151962 /nfs/dbraw/zinc/15/19/62/1048151962.db2.gz GPWFQMYEOUCZMN-UHFFFAOYSA-N 1 3 314.926 4.249 20 0 DIADHO COc1ccc([C@@H](C)NCCCC[N@@H+]2CCCC[C@@H]2C)c(F)c1 ZINC000480607466 1048196349 /nfs/dbraw/zinc/19/63/49/1048196349.db2.gz GDWSGMYXYKBFLI-JKSUJKDBSA-N 1 3 322.468 4.140 20 0 DIADHO COc1ccc([C@@H](C)NCCCC[N@H+]2CCCC[C@@H]2C)c(F)c1 ZINC000480607466 1048196361 /nfs/dbraw/zinc/19/63/61/1048196361.db2.gz GDWSGMYXYKBFLI-JKSUJKDBSA-N 1 3 322.468 4.140 20 0 DIADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1cc(F)ccc1F ZINC000480622979 1048197275 /nfs/dbraw/zinc/19/72/75/1048197275.db2.gz ZJFLRUAXJYRPOB-HNNXBMFYSA-N 1 3 310.432 4.128 20 0 DIADHO CC1CC[NH+](CC[C@@H]2CCCN2CCSC(C)(C)C)CC1 ZINC001175351991 1048272391 /nfs/dbraw/zinc/27/23/91/1048272391.db2.gz NSBKTVSXBYYSBV-KRWDZBQOSA-N 1 3 312.567 4.105 20 0 DIADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2CCSC(C)(C)C)CC1 ZINC001175351991 1048272406 /nfs/dbraw/zinc/27/24/06/1048272406.db2.gz NSBKTVSXBYYSBV-KRWDZBQOSA-N 1 3 312.567 4.105 20 0 DIADHO CC1CCN(CC[C@@H]2CCC[N@H+]2CCSC(C)(C)C)CC1 ZINC001175351991 1048272414 /nfs/dbraw/zinc/27/24/14/1048272414.db2.gz NSBKTVSXBYYSBV-KRWDZBQOSA-N 1 3 312.567 4.105 20 0 DIADHO CC(C)(C[NH2+]CC1CCC(C(F)(F)F)CC1)CN1CCCC1 ZINC000480939851 1048276980 /nfs/dbraw/zinc/27/69/80/1048276980.db2.gz XXPBCVFONOQRNT-UHFFFAOYSA-N 1 3 320.443 4.067 20 0 DIADHO CC(C)=CCC[C@@H](C)CN1CCC([NH+]2CCC(F)CC2)CC1 ZINC001201491459 1048283231 /nfs/dbraw/zinc/28/32/31/1048283231.db2.gz SAVZZDKMWMWYMK-QGZVFWFLSA-N 1 3 310.501 4.267 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCCC(C)C)cc2)C1 ZINC000481337693 1048373081 /nfs/dbraw/zinc/37/30/81/1048373081.db2.gz NLRPILRSEOIJRW-ROUUACIJSA-N 1 3 318.505 4.104 20 0 DIADHO CC(C)Sc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000555598274 1048402524 /nfs/dbraw/zinc/40/25/24/1048402524.db2.gz PUGQLHXFDPQKSQ-LJQANCHMSA-N 1 3 318.530 4.105 20 0 DIADHO CC(C)Sc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000555598274 1048402531 /nfs/dbraw/zinc/40/25/31/1048402531.db2.gz PUGQLHXFDPQKSQ-LJQANCHMSA-N 1 3 318.530 4.105 20 0 DIADHO CC[C@@H]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC001201947415 1048408099 /nfs/dbraw/zinc/40/80/99/1048408099.db2.gz YJBQKJTZMXEXCS-AKHDSKFASA-N 1 3 306.538 4.445 20 0 DIADHO Cc1ccc2c(c1)nccc2N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163220055 1048439318 /nfs/dbraw/zinc/43/93/18/1048439318.db2.gz KQXIKJJCGJYMGH-QUCCMNQESA-N 1 3 303.409 4.058 20 0 DIADHO CCN1CC[C@@H]([N@H+](C)Cc2cc3c(cc(C)cc3C)[nH]2)C[C@@H]1C ZINC000481988732 1048540380 /nfs/dbraw/zinc/54/03/80/1048540380.db2.gz GIFFFFYSJKGLTO-FUHWJXTLSA-N 1 3 313.489 4.089 20 0 DIADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc3c(cc(C)cc3C)[nH]2)C[C@@H]1C ZINC000481988732 1048540395 /nfs/dbraw/zinc/54/03/95/1048540395.db2.gz GIFFFFYSJKGLTO-FUHWJXTLSA-N 1 3 313.489 4.089 20 0 DIADHO CC(C)CCOc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000482011507 1048542587 /nfs/dbraw/zinc/54/25/87/1048542587.db2.gz SRQKNWXQSJBBOF-AOIWGVFYSA-N 1 3 318.505 4.245 20 0 DIADHO CC(C)CCOc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000482011507 1048542595 /nfs/dbraw/zinc/54/25/95/1048542595.db2.gz SRQKNWXQSJBBOF-AOIWGVFYSA-N 1 3 318.505 4.245 20 0 DIADHO C[C@H](NC1CCC([NH+]2CCCCC2)CC1)c1cccc(F)c1F ZINC000776309581 1048564433 /nfs/dbraw/zinc/56/44/33/1048564433.db2.gz IXAWNWBNNBEGBB-FHERZECASA-N 1 3 322.443 4.413 20 0 DIADHO CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000482246658 1048575237 /nfs/dbraw/zinc/57/52/37/1048575237.db2.gz KNSXGXWMHGGOAD-IBGZPJMESA-N 1 3 314.517 4.394 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)C(C)(C)c2ccccc2)C1 ZINC000482343529 1048590779 /nfs/dbraw/zinc/59/07/79/1048590779.db2.gz HRLJKQGLTQXKLS-MSOLQXFVSA-N 1 3 302.506 4.063 20 0 DIADHO Cc1cccc(C[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C2CC2)c1 ZINC000482341722 1048591284 /nfs/dbraw/zinc/59/12/84/1048591284.db2.gz CFSDVNCPSZFLKN-CTNGQTDRSA-N 1 3 314.517 4.026 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccccc32)C1 ZINC000482330515 1048591592 /nfs/dbraw/zinc/59/15/92/1048591592.db2.gz UTKVOPUYXPFVAE-LPHOPBHVSA-N 1 3 300.490 4.119 20 0 DIADHO CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)c2cc3c(s2)CCC3)C1 ZINC000482361458 1048594117 /nfs/dbraw/zinc/59/41/17/1048594117.db2.gz UERMLNNJTMUWLX-HUUCEWRRSA-N 1 3 306.519 4.008 20 0 DIADHO CC(C)[N@H+]1CCC[C@H](CN[C@H](C)c2cc3c(s2)CCC3)C1 ZINC000482361458 1048594133 /nfs/dbraw/zinc/59/41/33/1048594133.db2.gz UERMLNNJTMUWLX-HUUCEWRRSA-N 1 3 306.519 4.008 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2cc3c(s2)CCC3)C1 ZINC000482361458 1048594149 /nfs/dbraw/zinc/59/41/49/1048594149.db2.gz UERMLNNJTMUWLX-HUUCEWRRSA-N 1 3 306.519 4.008 20 0 DIADHO COc1ccc([C@@H](C)[NH2+][C@H]2C=CCC2)cc1CN1CCCCC1 ZINC000850508156 1048672431 /nfs/dbraw/zinc/67/24/31/1048672431.db2.gz IBRJRYMTBSNVBC-APWZRJJASA-N 1 3 314.473 4.050 20 0 DIADHO COc1ccc([C@H](C)[NH2+]C2CCCC2)cc1CN1CCCCC1 ZINC000775362987 1048704143 /nfs/dbraw/zinc/70/41/43/1048704143.db2.gz NZJTZZUQUYAPJJ-INIZCTEOSA-N 1 3 316.489 4.274 20 0 DIADHO CCCC[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775365923 1048708085 /nfs/dbraw/zinc/70/80/85/1048708085.db2.gz XDMPKZLZDVXXNG-MRXNPFEDSA-N 1 3 304.478 4.132 20 0 DIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC(C)(C)C)ccc1OC ZINC000775382845 1048732112 /nfs/dbraw/zinc/73/21/12/1048732112.db2.gz ILQKMONOBUVUTM-OAHLLOKOSA-N 1 3 306.494 4.234 20 0 DIADHO COc1ccc([C@@H](C)[NH2+]C2CC=CC2)cc1CN1CCCCC1 ZINC000775401943 1048767733 /nfs/dbraw/zinc/76/77/33/1048767733.db2.gz WHWFCFKYECGFPV-MRXNPFEDSA-N 1 3 314.473 4.050 20 0 DIADHO CC[C@H](CC(F)F)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001190650762 1048772394 /nfs/dbraw/zinc/77/23/94/1048772394.db2.gz GDILJWNMMKHYHF-SJORKVTESA-N 1 3 316.480 4.112 20 0 DIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H]2CC=CCC2)ccc1OC ZINC000775411867 1048786539 /nfs/dbraw/zinc/78/65/39/1048786539.db2.gz QYZRCHPRVZOKNY-LPHOPBHVSA-N 1 3 316.489 4.296 20 0 DIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H]2CC=CCC2)ccc1OC ZINC000775411869 1048787045 /nfs/dbraw/zinc/78/70/45/1048787045.db2.gz QYZRCHPRVZOKNY-QFBILLFUSA-N 1 3 316.489 4.296 20 0 DIADHO CC[NH+](CC)Cc1ccc(CNCc2csc(C)c2C)cc1 ZINC001177132227 1048834627 /nfs/dbraw/zinc/83/46/27/1048834627.db2.gz COGQDNQFPVXWQU-UHFFFAOYSA-N 1 3 316.514 4.497 20 0 DIADHO CC(C)N(C)CCC[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC001177231600 1048851095 /nfs/dbraw/zinc/85/10/95/1048851095.db2.gz XAJYXGZMGCICDW-UXHICEINSA-N 1 3 302.506 4.423 20 0 DIADHO CCC[C@@H](NC1CC[NH+](CC2CC2)CC1)c1cccc(C)c1 ZINC001168368276 1048861818 /nfs/dbraw/zinc/86/18/18/1048861818.db2.gz FHSQFKGAQAPHSI-HXUWFJFHSA-N 1 3 300.490 4.300 20 0 DIADHO CN(Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccccc1)CC2 ZINC001203306028 1048862924 /nfs/dbraw/zinc/86/29/24/1048862924.db2.gz BDIBUYRJRYPWBW-HXUWFJFHSA-N 1 3 324.468 4.156 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(-c2ccncc2)cc1 ZINC000484492249 1048946188 /nfs/dbraw/zinc/94/61/88/1048946188.db2.gz MSXOGUQFEKCIFS-DQLDELGASA-N 1 3 323.484 4.272 20 0 DIADHO Cc1ccccc1C[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000484498853 1048951164 /nfs/dbraw/zinc/95/11/64/1048951164.db2.gz IPILVHYJDJMNJY-SFHVURJKSA-N 1 3 314.517 4.313 20 0 DIADHO Cc1ccccc1C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001203709874 1048974342 /nfs/dbraw/zinc/97/43/42/1048974342.db2.gz SFVYXPGFFXCLRP-UHFFFAOYSA-N 1 3 320.480 4.093 20 0 DIADHO Cc1ccc(Cl)c(CN2CCC[C@](C)(C[NH3+])CC2)c1Cl ZINC001206324428 1049008773 /nfs/dbraw/zinc/00/87/73/1049008773.db2.gz BFLAUOMPLLEVNL-INIZCTEOSA-N 1 3 315.288 4.253 20 0 DIADHO c1ccc(CN2C[C@H]3[C@@H](C2)CCC[C@H]3[NH2+]C[C@H]2CC=CCC2)cc1 ZINC001178285416 1049012004 /nfs/dbraw/zinc/01/20/04/1049012004.db2.gz QELSUCHLRVGEFG-WSWWRLHASA-N 1 3 324.512 4.233 20 0 DIADHO Cc1cccc(C[NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)c1 ZINC001203891367 1049023133 /nfs/dbraw/zinc/02/31/33/1049023133.db2.gz WUWUYTTUIXIILN-UHFFFAOYSA-N 1 3 324.468 4.076 20 0 DIADHO [NH3+]CCC[C@@H](NCc1ccc(C(F)F)c(F)c1)c1ccccc1 ZINC000904358002 1049045019 /nfs/dbraw/zinc/04/50/19/1049045019.db2.gz GDCZVOKNXQZXNW-QGZVFWFLSA-N 1 3 322.374 4.333 20 0 DIADHO CSc1ccc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000173307006 1049054625 /nfs/dbraw/zinc/05/46/25/1049054625.db2.gz QUFRMODMJOQIPH-OAHLLOKOSA-N 1 3 314.498 4.321 20 0 DIADHO CSc1ccc([C@H](C)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000173306994 1049054646 /nfs/dbraw/zinc/05/46/46/1049054646.db2.gz QUFRMODMJOQIPH-HNNXBMFYSA-N 1 3 314.498 4.321 20 0 DIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H](C)C2(C)CC2)ccc1OC ZINC000776882292 1049089858 /nfs/dbraw/zinc/08/98/58/1049089858.db2.gz QREKEYZSIMKLLF-HOTGVXAUSA-N 1 3 318.505 4.376 20 0 DIADHO CCN(Cc1ccccc1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001204325457 1049142101 /nfs/dbraw/zinc/14/21/01/1049142101.db2.gz YGAKGUYRDJYHQV-OAQYLSRUSA-N 1 3 322.496 4.339 20 0 DIADHO CCN(Cc1ccccc1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001204325457 1049142104 /nfs/dbraw/zinc/14/21/04/1049142104.db2.gz YGAKGUYRDJYHQV-OAQYLSRUSA-N 1 3 322.496 4.339 20 0 DIADHO Cc1cc(C)cc(C[NH+]2CCC(N(C)Cc3ccccc3)CC2)c1 ZINC001204527010 1049183350 /nfs/dbraw/zinc/18/33/50/1049183350.db2.gz ZROKBGWVRVEPHB-UHFFFAOYSA-N 1 3 322.496 4.400 20 0 DIADHO C[C@H](CC1CCCCC1)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001179878335 1049226051 /nfs/dbraw/zinc/22/60/51/1049226051.db2.gz OIVJZOHLSATOHT-UYAOXDASSA-N 1 3 306.538 4.401 20 0 DIADHO C[C@H](CC1CCCCC1)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001179878335 1049226057 /nfs/dbraw/zinc/22/60/57/1049226057.db2.gz OIVJZOHLSATOHT-UYAOXDASSA-N 1 3 306.538 4.401 20 0 DIADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(C)(C)C)cc1 ZINC000195651611 1049245353 /nfs/dbraw/zinc/24/53/53/1049245353.db2.gz BBENRTRHLUTFRK-CVEARBPZSA-N 1 3 300.490 4.119 20 0 DIADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C(C)(C)C)cc1 ZINC000195651611 1049245363 /nfs/dbraw/zinc/24/53/63/1049245363.db2.gz BBENRTRHLUTFRK-CVEARBPZSA-N 1 3 300.490 4.119 20 0 DIADHO C[NH2+]C[C@H]1CCCN(Cc2cccc3c4ccccc4sc32)C1 ZINC001205009301 1049339584 /nfs/dbraw/zinc/33/95/84/1049339584.db2.gz MWVOHGTXVPBZPO-OAHLLOKOSA-N 1 3 324.493 4.486 20 0 DIADHO C[NH2+]C[C@H]1CCCN(Cc2ccccc2-c2ccccc2C)C1 ZINC001205016256 1049344038 /nfs/dbraw/zinc/34/40/38/1049344038.db2.gz HSUQVUXLXIZQKH-GOSISDBHSA-N 1 3 308.469 4.093 20 0 DIADHO C[NH2+]C[C@@H]1CCCN(Cc2ccccc2-c2ccccc2C)C1 ZINC001205016258 1049344782 /nfs/dbraw/zinc/34/47/82/1049344782.db2.gz HSUQVUXLXIZQKH-SFHVURJKSA-N 1 3 308.469 4.093 20 0 DIADHO [NH3+][C@H]1CCCN(Cc2ccc(/C=C/c3ccccc3)cc2)CC1 ZINC001205109065 1049380804 /nfs/dbraw/zinc/38/08/04/1049380804.db2.gz ADMMVQDGOINCEY-SHBDEGQCSA-N 1 3 306.453 4.170 20 0 DIADHO Cc1cccc(N(C)c2ccc(CN3CCC[C@H]([NH3+])CC3)cc2)c1 ZINC001205116571 1049383664 /nfs/dbraw/zinc/38/36/64/1049383664.db2.gz CYRHDHUNWBAVSW-IBGZPJMESA-N 1 3 323.484 4.076 20 0 DIADHO C[C@@H]1CCC[C@H](CCN2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC001194524657 1049385787 /nfs/dbraw/zinc/38/57/87/1049385787.db2.gz BULORIJFVDEYRQ-RTBURBONSA-N 1 3 314.517 4.457 20 0 DIADHO C[C@@H](N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC001180978365 1049424175 /nfs/dbraw/zinc/42/41/75/1049424175.db2.gz ZRHOUEDQSMSNED-JFIYKMOQSA-N 1 3 314.498 4.309 20 0 DIADHO C[C@@H](N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC001180978365 1049424178 /nfs/dbraw/zinc/42/41/78/1049424178.db2.gz ZRHOUEDQSMSNED-JFIYKMOQSA-N 1 3 314.498 4.309 20 0 DIADHO C[C@H]1CCN(Cc2ccc3oc4ccccc4c3c2)C[C@H]1C[NH3+] ZINC001205303651 1049433329 /nfs/dbraw/zinc/43/33/29/1049433329.db2.gz JBTBZNXMEMRIGA-GOEBONIOSA-N 1 3 308.425 4.003 20 0 DIADHO C[C@H]1CCNCC[N@@H+]1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001205324931 1049439111 /nfs/dbraw/zinc/43/91/11/1049439111.db2.gz IBBXNHZSSVOEFI-INIZCTEOSA-N 1 3 319.452 4.019 20 0 DIADHO C[C@H]1CCNCC[N@H+]1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001205324931 1049439119 /nfs/dbraw/zinc/43/91/19/1049439119.db2.gz IBBXNHZSSVOEFI-INIZCTEOSA-N 1 3 319.452 4.019 20 0 DIADHO C[C@@H]1CCNCC[N@@H+]1Cc1ccc(-c2ccccc2Cl)cc1 ZINC001205332847 1049440760 /nfs/dbraw/zinc/44/07/60/1049440760.db2.gz UTGJXRABSRRDPP-OAHLLOKOSA-N 1 3 314.860 4.191 20 0 DIADHO C[C@@H]1CCNCC[N@H+]1Cc1ccc(-c2ccccc2Cl)cc1 ZINC001205332847 1049440764 /nfs/dbraw/zinc/44/07/64/1049440764.db2.gz UTGJXRABSRRDPP-OAHLLOKOSA-N 1 3 314.860 4.191 20 0 DIADHO C[C@H]1CCNCC[N@@H+]1Cc1ccccc1-c1ccc(Cl)cc1 ZINC001205331526 1049441010 /nfs/dbraw/zinc/44/10/10/1049441010.db2.gz HOELSMIIYGRIHU-HNNXBMFYSA-N 1 3 314.860 4.191 20 0 DIADHO C[C@H]1CCNCC[N@H+]1Cc1ccccc1-c1ccc(Cl)cc1 ZINC001205331526 1049441012 /nfs/dbraw/zinc/44/10/12/1049441012.db2.gz HOELSMIIYGRIHU-HNNXBMFYSA-N 1 3 314.860 4.191 20 0 DIADHO Cc1cccc(C)c1-c1cccc(C[N@H+]2CCNCC[C@@H]2C)c1 ZINC001205333234 1049441245 /nfs/dbraw/zinc/44/12/45/1049441245.db2.gz XZNKMWHRQRYLMG-SFHVURJKSA-N 1 3 308.469 4.154 20 0 DIADHO Cc1cccc(C)c1-c1cccc(C[N@@H+]2CCNCC[C@@H]2C)c1 ZINC001205333234 1049441251 /nfs/dbraw/zinc/44/12/51/1049441251.db2.gz XZNKMWHRQRYLMG-SFHVURJKSA-N 1 3 308.469 4.154 20 0 DIADHO C[C@@H](NCCC[N@H+](C)Cc1ccccc1)c1cc2ccccc2[nH]1 ZINC000775624164 1049457585 /nfs/dbraw/zinc/45/75/85/1049457585.db2.gz YHWLAGHOHDCEFM-QGZVFWFLSA-N 1 3 321.468 4.341 20 0 DIADHO C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)c1cc2ccccc2[nH]1 ZINC000775624164 1049457590 /nfs/dbraw/zinc/45/75/90/1049457590.db2.gz YHWLAGHOHDCEFM-QGZVFWFLSA-N 1 3 321.468 4.341 20 0 DIADHO C[C@@H](NC1CC[NH+](CC2CC2)CC1)c1cc2ccccc2s1 ZINC001205423245 1049467391 /nfs/dbraw/zinc/46/73/91/1049467391.db2.gz JDHSQKFGMQKSQL-CQSZACIVSA-N 1 3 314.498 4.426 20 0 DIADHO C[C@@H]1CCC[N@H+](CCCCNCc2sccc2Cl)C1 ZINC000486951717 1049497645 /nfs/dbraw/zinc/49/76/45/1049497645.db2.gz UIPQLPQGTNCIGK-CYBMUJFWSA-N 1 3 300.899 4.003 20 0 DIADHO C[C@@H]1CCC[N@@H+](CCCCNCc2sccc2Cl)C1 ZINC000486951717 1049497651 /nfs/dbraw/zinc/49/76/51/1049497651.db2.gz UIPQLPQGTNCIGK-CYBMUJFWSA-N 1 3 300.899 4.003 20 0 DIADHO Cc1ccc(CN2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(Cl)c1Cl ZINC001205639085 1049517959 /nfs/dbraw/zinc/51/79/59/1049517959.db2.gz VOOYMEZQFMJVOT-DGCLKSJQSA-N 1 3 315.288 4.109 20 0 DIADHO Cc1cc(Cl)c(Cl)cc1CN1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205654159 1049523658 /nfs/dbraw/zinc/52/36/58/1049523658.db2.gz WOVJHUUCQTWPTN-AAEUAGOBSA-N 1 3 315.288 4.109 20 0 DIADHO C[C@@H]1[C@H](C[NH3+])CCCN1Cc1ccc2oc3ccccc3c2c1 ZINC001205902200 1049593913 /nfs/dbraw/zinc/59/39/13/1049593913.db2.gz IOSDFYXSEOZCBZ-ZBFHGGJFSA-N 1 3 308.425 4.145 20 0 DIADHO N[C@@H]1CCCC[N@H+](Cc2ccc(-c3ccccc3Cl)cc2)C1 ZINC001205932714 1049606383 /nfs/dbraw/zinc/60/63/83/1049606383.db2.gz TWLUZKJMFFMUDC-QGZVFWFLSA-N 1 3 314.860 4.320 20 0 DIADHO N[C@@H]1CCCC[N@@H+](Cc2ccc(-c3ccccc3Cl)cc2)C1 ZINC001205932714 1049606388 /nfs/dbraw/zinc/60/63/88/1049606388.db2.gz TWLUZKJMFFMUDC-QGZVFWFLSA-N 1 3 314.860 4.320 20 0 DIADHO N[C@@H]1CCCC[N@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC001205933098 1049606669 /nfs/dbraw/zinc/60/66/69/1049606669.db2.gz YDAWSMZCGKRHMG-QGZVFWFLSA-N 1 3 319.452 4.148 20 0 DIADHO N[C@@H]1CCCC[N@@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC001205933098 1049606675 /nfs/dbraw/zinc/60/66/75/1049606675.db2.gz YDAWSMZCGKRHMG-QGZVFWFLSA-N 1 3 319.452 4.148 20 0 DIADHO Cc1cc(Cl)c(CN2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Cl)c1 ZINC001206024607 1049632781 /nfs/dbraw/zinc/63/27/81/1049632781.db2.gz KSKGNSPZWLPUOE-STQMWFEESA-N 1 3 315.288 4.109 20 0 DIADHO CC[NH+](CC)CC1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000488405210 1049645947 /nfs/dbraw/zinc/64/59/47/1049645947.db2.gz KANWQEYONSMAIM-HNNXBMFYSA-N 1 3 308.897 4.455 20 0 DIADHO Cc1ccc2c(c1)[C@@H](NC[C@H]1CCC[N@@H+](C(C)C)C1)CCC2 ZINC000339070334 1049673461 /nfs/dbraw/zinc/67/34/61/1049673461.db2.gz MNGQSUGDHADKPL-XLIONFOSSA-N 1 3 300.490 4.082 20 0 DIADHO Cc1ccc2c(c1)[C@@H](NC[C@H]1CCC[N@H+](C(C)C)C1)CCC2 ZINC000339070334 1049673469 /nfs/dbraw/zinc/67/34/69/1049673469.db2.gz MNGQSUGDHADKPL-XLIONFOSSA-N 1 3 300.490 4.082 20 0 DIADHO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)CCC2 ZINC000339070334 1049673486 /nfs/dbraw/zinc/67/34/86/1049673486.db2.gz MNGQSUGDHADKPL-XLIONFOSSA-N 1 3 300.490 4.082 20 0 DIADHO C[C@@]1(C[NH3+])CCCCN(Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001206540158 1049754023 /nfs/dbraw/zinc/75/40/23/1049754023.db2.gz AQKYWYHZRSJEEF-NRFANRHFSA-N 1 3 324.468 4.430 20 0 DIADHO C[C@@]1(CN)CCCC[N@H+](Cc2ccccc2-c2cccs2)C1 ZINC001206556446 1049756024 /nfs/dbraw/zinc/75/60/24/1049756024.db2.gz RYKHALKMCDWVEL-IBGZPJMESA-N 1 3 314.498 4.366 20 0 DIADHO C[C@@]1(CN)CCCC[N@@H+](Cc2ccccc2-c2cccs2)C1 ZINC001206556446 1049756035 /nfs/dbraw/zinc/75/60/35/1049756035.db2.gz RYKHALKMCDWVEL-IBGZPJMESA-N 1 3 314.498 4.366 20 0 DIADHO C[C@@]1(C[NH3+])CCCCN(Cc2ccccc2-c2cccs2)C1 ZINC001206556446 1049756050 /nfs/dbraw/zinc/75/60/50/1049756050.db2.gz RYKHALKMCDWVEL-IBGZPJMESA-N 1 3 314.498 4.366 20 0 DIADHO CCOc1ccc(CN(C(C)C)[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC001206591636 1049763802 /nfs/dbraw/zinc/76/38/02/1049763802.db2.gz UMNLNIKJAYTBRC-MRXNPFEDSA-N 1 3 324.896 4.091 20 0 DIADHO CCCCc1ccc(CN(C(C)C)[C@@H]2CCC[NH2+]CC2)s1 ZINC001206591846 1049763881 /nfs/dbraw/zinc/76/38/81/1049763881.db2.gz WSZYERXDSMXGJQ-MRXNPFEDSA-N 1 3 308.535 4.443 20 0 DIADHO CCCCCCOc1ccc(CN2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001206615490 1049769919 /nfs/dbraw/zinc/76/99/19/1049769919.db2.gz GEACTMUNTMNSMY-IBGZPJMESA-N 1 3 318.505 4.207 20 0 DIADHO Cc1csc2sc(CN3C[C@H](C[NH3+])CC[C@H]3C)c(C)c12 ZINC001206769081 1049795107 /nfs/dbraw/zinc/79/51/07/1049795107.db2.gz NHKGILVOTFWFGJ-YPMHNXCESA-N 1 3 308.516 4.139 20 0 DIADHO C[C@@H]1CC[C@H](C[NH3+])CN1Cc1ccc2oc3ccccc3c2c1 ZINC001206767799 1049795749 /nfs/dbraw/zinc/79/57/49/1049795749.db2.gz FGZGMEPFJDVVHK-GDBMZVCRSA-N 1 3 308.425 4.145 20 0 DIADHO CC[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(F)cn1 ZINC000490152908 1049802661 /nfs/dbraw/zinc/80/26/61/1049802661.db2.gz YURWWNJMEJAYPR-SOLBZPMBSA-N 1 3 321.484 4.020 20 0 DIADHO CC[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(F)cn1 ZINC000490152908 1049802673 /nfs/dbraw/zinc/80/26/73/1049802673.db2.gz YURWWNJMEJAYPR-SOLBZPMBSA-N 1 3 321.484 4.020 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@@H](CSc2ccccc2)C(C)C)C1 ZINC000490171210 1049807712 /nfs/dbraw/zinc/80/77/12/1049807712.db2.gz AQBSDVDPTLWIGL-MJGOQNOKSA-N 1 3 320.546 4.125 20 0 DIADHO C[NH+](C)CC(C)(C)CN1CCC(c2cccc(Cl)c2)CC1 ZINC001207279244 1049874250 /nfs/dbraw/zinc/87/42/50/1049874250.db2.gz JJGJZKPWLDPDJD-UHFFFAOYSA-N 1 3 308.897 4.107 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCCc1ccccc1F ZINC001207494786 1049899151 /nfs/dbraw/zinc/89/91/51/1049899151.db2.gz JSGHPLJMHNDDLN-RBUKOAKNSA-N 1 3 318.480 4.097 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCCc1ccccc1F ZINC001207494786 1049899161 /nfs/dbraw/zinc/89/91/61/1049899161.db2.gz JSGHPLJMHNDDLN-RBUKOAKNSA-N 1 3 318.480 4.097 20 0 DIADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1CCCc1ccccc1F ZINC001207494786 1049899168 /nfs/dbraw/zinc/89/91/68/1049899168.db2.gz JSGHPLJMHNDDLN-RBUKOAKNSA-N 1 3 318.480 4.097 20 0 DIADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1CCCc1ccccc1F ZINC001207494786 1049899172 /nfs/dbraw/zinc/89/91/72/1049899172.db2.gz JSGHPLJMHNDDLN-RBUKOAKNSA-N 1 3 318.480 4.097 20 0 DIADHO CC(C)CC(CC(C)C)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC001207614397 1049916587 /nfs/dbraw/zinc/91/65/87/1049916587.db2.gz ZTRABHZIMGXQNA-LJQANCHMSA-N 1 3 305.510 4.125 20 0 DIADHO Clc1ccc([C@H]2CCC[N@@H+]2C2CCN(CC3CC3)CC2)cc1 ZINC001168379117 1049937113 /nfs/dbraw/zinc/93/71/13/1049937113.db2.gz DRHIGGRZRVHGTP-LJQANCHMSA-N 1 3 318.892 4.351 20 0 DIADHO Clc1ccc([C@H]2CCC[N@H+]2C2CCN(CC3CC3)CC2)cc1 ZINC001168379117 1049937117 /nfs/dbraw/zinc/93/71/17/1049937117.db2.gz DRHIGGRZRVHGTP-LJQANCHMSA-N 1 3 318.892 4.351 20 0 DIADHO c1ccc(C2(C[N@H+]3CCCC[C@@H]3CCN3CCCC3)CC2)cc1 ZINC001207838834 1049943547 /nfs/dbraw/zinc/94/35/47/1049943547.db2.gz URALFOGDYRXYRL-HXUWFJFHSA-N 1 3 312.501 4.059 20 0 DIADHO c1ccc(C2(C[N@@H+]3CCCC[C@@H]3CCN3CCCC3)CC2)cc1 ZINC001207838834 1049943551 /nfs/dbraw/zinc/94/35/51/1049943551.db2.gz URALFOGDYRXYRL-HXUWFJFHSA-N 1 3 312.501 4.059 20 0 DIADHO c1ccc(C2(CN3CCCC[C@@H]3CC[NH+]3CCCC3)CC2)cc1 ZINC001207838834 1049943555 /nfs/dbraw/zinc/94/35/55/1049943555.db2.gz URALFOGDYRXYRL-HXUWFJFHSA-N 1 3 312.501 4.059 20 0 DIADHO CC(C)c1ccc(C[C@H](C)C[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001207937778 1049960524 /nfs/dbraw/zinc/96/05/24/1049960524.db2.gz UTGGNSLRIIJONO-SFHVURJKSA-N 1 3 314.517 4.016 20 0 DIADHO C[C@@H]1c2ccccc2CCN1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208949933 1050029893 /nfs/dbraw/zinc/02/98/93/1050029893.db2.gz ZPWAFVWLGNWVMX-UYAOXDASSA-N 1 3 320.480 4.128 20 0 DIADHO C[C@@H]1c2ccccc2CCN1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208949933 1050029898 /nfs/dbraw/zinc/02/98/98/1050029898.db2.gz ZPWAFVWLGNWVMX-UYAOXDASSA-N 1 3 320.480 4.128 20 0 DIADHO c1ccc(C[N@H+]2CC[C@H](CN3CC[C@H]4CCCC[C@@H]4C3)C2)cc1 ZINC001208959520 1050030228 /nfs/dbraw/zinc/03/02/28/1050030228.db2.gz RXHQKRYBMCKDGH-PWRODBHTSA-N 1 3 312.501 4.021 20 0 DIADHO c1ccc(C[N@@H+]2CC[C@H](CN3CC[C@H]4CCCC[C@@H]4C3)C2)cc1 ZINC001208959520 1050030235 /nfs/dbraw/zinc/03/02/35/1050030235.db2.gz RXHQKRYBMCKDGH-PWRODBHTSA-N 1 3 312.501 4.021 20 0 DIADHO c1ccc(C[N@H+]2CC[C@@H](CN3CC[C@H]4CCCC[C@@H]4C3)C2)cc1 ZINC001208959519 1050030265 /nfs/dbraw/zinc/03/02/65/1050030265.db2.gz RXHQKRYBMCKDGH-NJDAHSKKSA-N 1 3 312.501 4.021 20 0 DIADHO c1ccc(C[N@@H+]2CC[C@@H](CN3CC[C@H]4CCCC[C@@H]4C3)C2)cc1 ZINC001208959519 1050030270 /nfs/dbraw/zinc/03/02/70/1050030270.db2.gz RXHQKRYBMCKDGH-NJDAHSKKSA-N 1 3 312.501 4.021 20 0 DIADHO COc1ccc(CNCCCC[N@@H+]2CCCC[C@H]2C)c(Cl)c1 ZINC000589837064 1050060052 /nfs/dbraw/zinc/06/00/52/1050060052.db2.gz ZNYPYXWJGFLXFH-OAHLLOKOSA-N 1 3 324.896 4.093 20 0 DIADHO COc1ccc(CNCCCC[N@H+]2CCCC[C@H]2C)c(Cl)c1 ZINC000589837064 1050060056 /nfs/dbraw/zinc/06/00/56/1050060056.db2.gz ZNYPYXWJGFLXFH-OAHLLOKOSA-N 1 3 324.896 4.093 20 0 DIADHO C[N@H+](CCCN[C@@H]1CCCNc2ccccc21)Cc1ccccc1 ZINC000347952605 1050164019 /nfs/dbraw/zinc/16/40/19/1050164019.db2.gz YIZSXMRWRUBYEN-OAQYLSRUSA-N 1 3 323.484 4.045 20 0 DIADHO C[N@@H+](CCCN[C@@H]1CCCNc2ccccc21)Cc1ccccc1 ZINC000347952605 1050164027 /nfs/dbraw/zinc/16/40/27/1050164027.db2.gz YIZSXMRWRUBYEN-OAQYLSRUSA-N 1 3 323.484 4.045 20 0 DIADHO C[C@H](CCCC(F)(F)F)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000480170587 1050346981 /nfs/dbraw/zinc/34/69/81/1050346981.db2.gz XYOYMJQNFZIAPQ-CYBMUJFWSA-N 1 3 306.416 4.104 20 0 DIADHO C[C@@H](c1ccc(Cl)cc1Cl)N(C)CC1CC[NH+](C)CC1 ZINC000738312354 1050529977 /nfs/dbraw/zinc/52/99/77/1050529977.db2.gz QVTQYYBGJHPWJB-LBPRGKRZSA-N 1 3 315.288 4.328 20 0 DIADHO CC(F)(F)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716714653 1051133963 /nfs/dbraw/zinc/13/39/63/1051133963.db2.gz VEFIJSQYBIOHGH-KSZLIROESA-N 1 3 322.443 4.065 20 0 DIADHO C[NH+]1C(C)(C)CC(N[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1(C)C ZINC001171628583 1051172690 /nfs/dbraw/zinc/17/26/90/1051172690.db2.gz BPBIRECOCFTMQJ-IAGOWNOFSA-N 1 3 320.908 4.437 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1(C)C ZINC001171628583 1051172693 /nfs/dbraw/zinc/17/26/93/1051172693.db2.gz BPBIRECOCFTMQJ-IAGOWNOFSA-N 1 3 320.908 4.437 20 0 DIADHO CN1C(C)(C)CC([NH2+]C[C@H]2CCCc3ccccc32)CC1(C)C ZINC001171630282 1051175700 /nfs/dbraw/zinc/17/57/00/1051175700.db2.gz LAQYNFJMMJJYNI-QGZVFWFLSA-N 1 3 314.517 4.348 20 0 DIADHO Cc1ccc(CCC[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)s1 ZINC001171614073 1051177493 /nfs/dbraw/zinc/17/74/93/1051177493.db2.gz UWFOJFMIZSQZAT-UHFFFAOYSA-N 1 3 308.535 4.230 20 0 DIADHO CC[C@@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)c1cccc(OC)c1 ZINC001171623529 1051178714 /nfs/dbraw/zinc/17/87/14/1051178714.db2.gz BMZPUJQPYQSCGO-GOSISDBHSA-N 1 3 318.505 4.387 20 0 DIADHO CN1C(C)(C)CC([NH2+]C2(c3ccc(F)cc3)CCC2)CC1(C)C ZINC001171625771 1051181184 /nfs/dbraw/zinc/18/11/84/1051181184.db2.gz NITZUOYASHYOED-UHFFFAOYSA-N 1 3 318.480 4.446 20 0 DIADHO CN1C(C)(C)CC([N@H+](C)[C@@H]2CCc3ccccc32)CC1(C)C ZINC001171644824 1051181682 /nfs/dbraw/zinc/18/16/82/1051181682.db2.gz PTPWGWIJOAPTNN-GOSISDBHSA-N 1 3 300.490 4.257 20 0 DIADHO CN1C(C)(C)CC([N@@H+](C)[C@@H]2CCc3ccccc32)CC1(C)C ZINC001171644824 1051181687 /nfs/dbraw/zinc/18/16/87/1051181687.db2.gz PTPWGWIJOAPTNN-GOSISDBHSA-N 1 3 300.490 4.257 20 0 DIADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H](Cc3ccccc3)C2)CC1(C)C ZINC001171638504 1051195030 /nfs/dbraw/zinc/19/50/30/1051195030.db2.gz ZQXNNTNREPHUOS-SFHVURJKSA-N 1 3 314.517 4.202 20 0 DIADHO CN1C(C)(C)CC([N@H+]2CC[C@@H](Cc3ccccc3)C2)CC1(C)C ZINC001171638504 1051195036 /nfs/dbraw/zinc/19/50/36/1051195036.db2.gz ZQXNNTNREPHUOS-SFHVURJKSA-N 1 3 314.517 4.202 20 0 DIADHO COc1ccc([C@@H](C)[N@H+](C)C2CC(C)(C)N(C)C(C)(C)C2)cc1 ZINC001171639782 1051195672 /nfs/dbraw/zinc/19/56/72/1051195672.db2.gz SWNHPGPTMUBJMW-OAHLLOKOSA-N 1 3 318.505 4.339 20 0 DIADHO COc1ccc([C@@H](C)[N@@H+](C)C2CC(C)(C)N(C)C(C)(C)C2)cc1 ZINC001171639782 1051195679 /nfs/dbraw/zinc/19/56/79/1051195679.db2.gz SWNHPGPTMUBJMW-OAHLLOKOSA-N 1 3 318.505 4.339 20 0 DIADHO CC[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC001172101634 1051281696 /nfs/dbraw/zinc/28/16/96/1051281696.db2.gz GOMWURPSWILHAD-ZJPYXAASSA-N 1 3 306.881 4.396 20 0 DIADHO CC[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001172101634 1051281703 /nfs/dbraw/zinc/28/17/03/1051281703.db2.gz GOMWURPSWILHAD-ZJPYXAASSA-N 1 3 306.881 4.396 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cccc(-c3ccccc3)c1)C2 ZINC001172100518 1051286386 /nfs/dbraw/zinc/28/63/86/1051286386.db2.gz DGACUJWSQWYWTN-KOUNCHBCSA-N 1 3 320.480 4.459 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cccc(-c3ccccc3)c1)C2 ZINC001172100518 1051286393 /nfs/dbraw/zinc/28/63/93/1051286393.db2.gz DGACUJWSQWYWTN-KOUNCHBCSA-N 1 3 320.480 4.459 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1c1c(F)cccc1F)C2 ZINC001172130991 1051292482 /nfs/dbraw/zinc/29/24/82/1051292482.db2.gz SRPUEHICLHWENW-BORJPKMPSA-N 1 3 320.427 4.117 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1c1c(F)cccc1F)C2 ZINC001172130991 1051292494 /nfs/dbraw/zinc/29/24/94/1051292494.db2.gz SRPUEHICLHWENW-BORJPKMPSA-N 1 3 320.427 4.117 20 0 DIADHO CCC[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC001172104770 1051296330 /nfs/dbraw/zinc/29/63/30/1051296330.db2.gz CRCPVDJAYMXLFZ-RDGPPVDQSA-N 1 3 304.453 4.272 20 0 DIADHO CCC[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001172104770 1051296335 /nfs/dbraw/zinc/29/63/35/1051296335.db2.gz CRCPVDJAYMXLFZ-RDGPPVDQSA-N 1 3 304.453 4.272 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](CC1CC1)c1cccc(F)c1)C2 ZINC001172110833 1051300230 /nfs/dbraw/zinc/30/02/30/1051300230.db2.gz PTPHPDZBNUZCAO-YRPNKDGESA-N 1 3 316.464 4.272 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](CC1CC1)c1cccc(F)c1)C2 ZINC001172110833 1051300245 /nfs/dbraw/zinc/30/02/45/1051300245.db2.gz PTPHPDZBNUZCAO-YRPNKDGESA-N 1 3 316.464 4.272 20 0 DIADHO CC(C)c1ccc([C@@H](C)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172113958 1051300512 /nfs/dbraw/zinc/30/05/12/1051300512.db2.gz KZOAJKZTRADMGO-GEALJGNFSA-N 1 3 300.490 4.476 20 0 DIADHO CC(C)c1ccc([C@@H](C)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172113958 1051300524 /nfs/dbraw/zinc/30/05/24/1051300524.db2.gz KZOAJKZTRADMGO-GEALJGNFSA-N 1 3 300.490 4.476 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCCc3c(Cl)cccc31)C2 ZINC001172110084 1051301363 /nfs/dbraw/zinc/30/13/63/1051301363.db2.gz JSSHOBOMICYOJV-ZTENYAIWSA-N 1 3 318.892 4.322 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCCc3c(Cl)cccc31)C2 ZINC001172110084 1051301371 /nfs/dbraw/zinc/30/13/71/1051301371.db2.gz JSSHOBOMICYOJV-ZTENYAIWSA-N 1 3 318.892 4.322 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H](CC1CC1)c1cccc(F)c1)C2 ZINC001172110834 1051302026 /nfs/dbraw/zinc/30/20/26/1051302026.db2.gz PTPHPDZBNUZCAO-YSTOQKLRSA-N 1 3 316.464 4.272 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H](CC1CC1)c1cccc(F)c1)C2 ZINC001172110834 1051302037 /nfs/dbraw/zinc/30/20/37/1051302037.db2.gz PTPHPDZBNUZCAO-YSTOQKLRSA-N 1 3 316.464 4.272 20 0 DIADHO Cc1cc([C@H](C)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1Cl ZINC001172110795 1051302663 /nfs/dbraw/zinc/30/26/63/1051302663.db2.gz PHVUBAFBWNQMJY-QSPRXWTASA-N 1 3 306.881 4.314 20 0 DIADHO Cc1cc([C@H](C)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1Cl ZINC001172110795 1051302668 /nfs/dbraw/zinc/30/26/68/1051302668.db2.gz PHVUBAFBWNQMJY-QSPRXWTASA-N 1 3 306.881 4.314 20 0 DIADHO C[C@H](c1ccc(C(C)(C)C)cc1)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001170451064 1051412833 /nfs/dbraw/zinc/41/28/33/1051412833.db2.gz GYGPSIMOOSIHQT-UTKZUKDTSA-N 1 3 314.517 4.463 20 0 DIADHO C[C@H](c1ccc(C(C)(C)C)cc1)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001170451064 1051412838 /nfs/dbraw/zinc/41/28/38/1051412838.db2.gz GYGPSIMOOSIHQT-UTKZUKDTSA-N 1 3 314.517 4.463 20 0 DIADHO CC(C)C[C@H](Cc1ccccc1)N1CCC([NH3+])(CC2CC2)CC1 ZINC001169067662 1051504638 /nfs/dbraw/zinc/50/46/38/1051504638.db2.gz JFMDNVKYWJMOIO-HXUWFJFHSA-N 1 3 314.517 4.237 20 0 DIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](c1ccc(Cl)cc1)C1CC1)C2 ZINC001169100673 1051510482 /nfs/dbraw/zinc/51/04/82/1051510482.db2.gz LFEXHVNDQYHAII-FJIDUMEYSA-N 1 3 304.865 4.006 20 0 DIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](c1ccc(Cl)cc1)C1CC1)C2 ZINC001169100673 1051510488 /nfs/dbraw/zinc/51/04/88/1051510488.db2.gz LFEXHVNDQYHAII-FJIDUMEYSA-N 1 3 304.865 4.006 20 0 DIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)C2 ZINC001169100676 1051511408 /nfs/dbraw/zinc/51/14/08/1051511408.db2.gz LFEXHVNDQYHAII-ZJPYXAASSA-N 1 3 304.865 4.006 20 0 DIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)C2 ZINC001169100676 1051511419 /nfs/dbraw/zinc/51/14/19/1051511419.db2.gz LFEXHVNDQYHAII-ZJPYXAASSA-N 1 3 304.865 4.006 20 0 DIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCc1ccccc1-c1ccccc1)C2 ZINC001169081788 1051514082 /nfs/dbraw/zinc/51/40/82/1051514082.db2.gz WQLBJGSILTWDOF-OWZKRDHZSA-N 1 3 306.453 4.068 20 0 DIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCc1ccccc1-c1ccccc1)C2 ZINC001169081788 1051514094 /nfs/dbraw/zinc/51/40/94/1051514094.db2.gz WQLBJGSILTWDOF-OWZKRDHZSA-N 1 3 306.453 4.068 20 0 DIADHO CC[N@H+](C)C1CCN(C2CCC(Cc3ccccc3)CC2)CC1 ZINC001172825032 1051517480 /nfs/dbraw/zinc/51/74/80/1051517480.db2.gz NMACQVVICYGSFU-UHFFFAOYSA-N 1 3 314.517 4.204 20 0 DIADHO CC[N@@H+](C)C1CCN(C2CCC(Cc3ccccc3)CC2)CC1 ZINC001172825032 1051517499 /nfs/dbraw/zinc/51/74/99/1051517499.db2.gz NMACQVVICYGSFU-UHFFFAOYSA-N 1 3 314.517 4.204 20 0 DIADHO CCN(C)C1CC[NH+](C2CCC(Cc3ccccc3)CC2)CC1 ZINC001172825032 1051517510 /nfs/dbraw/zinc/51/75/10/1051517510.db2.gz NMACQVVICYGSFU-UHFFFAOYSA-N 1 3 314.517 4.204 20 0 DIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](CC1CCC1)c1ccc(F)cc1)C2 ZINC001169116178 1051521174 /nfs/dbraw/zinc/52/11/74/1051521174.db2.gz OOZWESDCVAEHEB-IYWMVGAKSA-N 1 3 316.464 4.272 20 0 DIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](CC1CCC1)c1ccc(F)cc1)C2 ZINC001169116178 1051521182 /nfs/dbraw/zinc/52/11/82/1051521182.db2.gz OOZWESDCVAEHEB-IYWMVGAKSA-N 1 3 316.464 4.272 20 0 DIADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+](C)Cc1ccc(Cl)c(Cl)c1)C2 ZINC001169129596 1051525567 /nfs/dbraw/zinc/52/55/67/1051525567.db2.gz JZIQLOJVLVCQDA-BTTYYORXSA-N 1 3 313.272 4.050 20 0 DIADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C)Cc1ccc(Cl)c(Cl)c1)C2 ZINC001169129596 1051525573 /nfs/dbraw/zinc/52/55/73/1051525573.db2.gz JZIQLOJVLVCQDA-BTTYYORXSA-N 1 3 313.272 4.050 20 0 DIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1(c3cccc(F)c3)CCCCC1)C2 ZINC001169106982 1051528818 /nfs/dbraw/zinc/52/88/18/1051528818.db2.gz CABXDNKTPJTQRF-REPLKXPHSA-N 1 3 316.464 4.200 20 0 DIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1(c3cccc(F)c3)CCCCC1)C2 ZINC001169106982 1051528826 /nfs/dbraw/zinc/52/88/26/1051528826.db2.gz CABXDNKTPJTQRF-REPLKXPHSA-N 1 3 316.464 4.200 20 0 DIADHO Cc1cc2cc(N[C@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)ccc2cn1 ZINC001169147567 1051534564 /nfs/dbraw/zinc/53/45/64/1051534564.db2.gz RUAUTPSKKQKZPT-AZUAARDMSA-N 1 3 311.473 4.499 20 0 DIADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+](C)Cc1cc(Cl)cc(Cl)c1)C2 ZINC001169160293 1051540734 /nfs/dbraw/zinc/54/07/34/1051540734.db2.gz CGAQEYJHOHFFJL-MUJYYYPQSA-N 1 3 313.272 4.050 20 0 DIADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C)Cc1cc(Cl)cc(Cl)c1)C2 ZINC001169160293 1051540753 /nfs/dbraw/zinc/54/07/53/1051540753.db2.gz CGAQEYJHOHFFJL-MUJYYYPQSA-N 1 3 313.272 4.050 20 0 DIADHO CC[NH+]1CCC(N[C@@H](CC2CCC2)c2ccc(F)cc2)CC1 ZINC001169241001 1051561959 /nfs/dbraw/zinc/56/19/59/1051561959.db2.gz ORFOWEOGQIZPFW-IBGZPJMESA-N 1 3 304.453 4.131 20 0 DIADHO C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccc(Cl)c(Cl)c1 ZINC000256049222 1051618446 /nfs/dbraw/zinc/61/84/46/1051618446.db2.gz YYCBATNHNWCKMI-RUZUBIRVSA-N 1 3 313.272 4.269 20 0 DIADHO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccc(Cl)c(Cl)c1 ZINC000256049221 1051619027 /nfs/dbraw/zinc/61/90/27/1051619027.db2.gz YYCBATNHNWCKMI-DOERSZECSA-N 1 3 313.272 4.269 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)N1CCC[C@H]1C[NH3+] ZINC001173206879 1051644566 /nfs/dbraw/zinc/64/45/66/1051644566.db2.gz XXPSRFBMCHXQLC-PXNSSMCTSA-N 1 3 308.469 4.020 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)N1CCC[C@H]1C[NH3+] ZINC001173206881 1051644990 /nfs/dbraw/zinc/64/49/90/1051644990.db2.gz XXPSRFBMCHXQLC-XLIONFOSSA-N 1 3 308.469 4.020 20 0 DIADHO CCc1ccc(C[C@H](C)[NH+]2C(C)(C)CC(N)CC2(C)C)cc1 ZINC001173236581 1051645506 /nfs/dbraw/zinc/64/55/06/1051645506.db2.gz ZLRYHXGFBRKNNQ-HNNXBMFYSA-N 1 3 302.506 4.160 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+](C)C[C@@H](C)CN ZINC001173211534 1051649374 /nfs/dbraw/zinc/64/93/74/1051649374.db2.gz QZZKAPDCGXJQMO-ZWKOTPCHSA-N 1 3 310.485 4.124 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+](C)C[C@@H](C)CN ZINC001173211534 1051649385 /nfs/dbraw/zinc/64/93/85/1051649385.db2.gz QZZKAPDCGXJQMO-ZWKOTPCHSA-N 1 3 310.485 4.124 20 0 DIADHO Cc1ccc(CN2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Cl)c1Cl ZINC001206013102 1051650542 /nfs/dbraw/zinc/65/05/42/1051650542.db2.gz PFCBTCANWFVLAZ-STQMWFEESA-N 1 3 315.288 4.109 20 0 DIADHO CC[C@@H]1CC[C@H](N2CCC([NH3+])(c3ccc(Cl)cc3)CC2)C1 ZINC001173273446 1051670825 /nfs/dbraw/zinc/67/08/25/1051670825.db2.gz ZSCOKFYJYJZAOV-PBHICJAKSA-N 1 3 306.881 4.169 20 0 DIADHO Cc1nc2ccc(CN[C@H](CC[NH+](C)C)C(C)(C)C)cc2s1 ZINC000494096774 1051688316 /nfs/dbraw/zinc/68/83/16/1051688316.db2.gz CWOAVQLEFQMOCC-QGZVFWFLSA-N 1 3 319.518 4.061 20 0 DIADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccs1 ZINC000183186870 1051712188 /nfs/dbraw/zinc/71/21/88/1051712188.db2.gz BOGHLGJOASQFFH-UXLLHSPISA-N 1 3 306.519 4.442 20 0 DIADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccs1 ZINC000183186870 1051712200 /nfs/dbraw/zinc/71/22/00/1051712200.db2.gz BOGHLGJOASQFFH-UXLLHSPISA-N 1 3 306.519 4.442 20 0 DIADHO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1cccs1 ZINC000183186870 1051712213 /nfs/dbraw/zinc/71/22/13/1051712213.db2.gz BOGHLGJOASQFFH-UXLLHSPISA-N 1 3 306.519 4.442 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000183700221 1051717003 /nfs/dbraw/zinc/71/70/03/1051717003.db2.gz FATXNJXERXPUPA-PCKAHOCUSA-N 1 3 320.443 4.065 20 0 DIADHO Cc1ccc(SC[C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000186473411 1051818419 /nfs/dbraw/zinc/81/84/19/1051818419.db2.gz NXPLEYCPCRMQDO-INIZCTEOSA-N 1 3 320.546 4.328 20 0 DIADHO Cc1ccc(SC[C@H](C)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000186473411 1051818434 /nfs/dbraw/zinc/81/84/34/1051818434.db2.gz NXPLEYCPCRMQDO-INIZCTEOSA-N 1 3 320.546 4.328 20 0 DIADHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(Cl)c1 ZINC000768175822 1051894505 /nfs/dbraw/zinc/89/45/05/1051894505.db2.gz XHFQVDATQZKGPS-UHFFFAOYSA-N 1 3 302.849 4.034 20 0 DIADHO CC(C)CCC[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000309951689 1052253003 /nfs/dbraw/zinc/25/30/03/1052253003.db2.gz GMKMWPOOEAXKKM-HXUWFJFHSA-N 1 3 302.506 4.315 20 0 DIADHO Cc1cc(C)c(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000310069266 1052255805 /nfs/dbraw/zinc/25/58/05/1052255805.db2.gz CSGJBMAGWKRNMT-OAQYLSRUSA-N 1 3 322.496 4.224 20 0 DIADHO Cc1cc(C)c(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000310069266 1052255814 /nfs/dbraw/zinc/25/58/14/1052255814.db2.gz CSGJBMAGWKRNMT-OAQYLSRUSA-N 1 3 322.496 4.224 20 0 DIADHO Cc1cc(C)c(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000310069264 1052256280 /nfs/dbraw/zinc/25/62/80/1052256280.db2.gz CSGJBMAGWKRNMT-NRFANRHFSA-N 1 3 322.496 4.224 20 0 DIADHO Cc1cc(C)c(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000310069264 1052256289 /nfs/dbraw/zinc/25/62/89/1052256289.db2.gz CSGJBMAGWKRNMT-NRFANRHFSA-N 1 3 322.496 4.224 20 0 DIADHO Cc1ccccc1-c1ccccc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222148724 1052450623 /nfs/dbraw/zinc/45/06/23/1052450623.db2.gz RNILIYIIOMHBJY-QFIPXVFZSA-N 1 3 320.480 4.238 20 0 DIADHO c1oc2ccccc2c1CN1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222166814 1052455141 /nfs/dbraw/zinc/45/51/41/1052455141.db2.gz CMBXYSYZNNZXBC-FQEVSTJZSA-N 1 3 312.457 4.179 20 0 DIADHO c1cc2c(cccc2CN2CCCC[C@]3(CCCC[NH2+]C3)C2)o1 ZINC001222171406 1052456350 /nfs/dbraw/zinc/45/63/50/1052456350.db2.gz BGSUPFOVLFUVDV-FQEVSTJZSA-N 1 3 312.457 4.179 20 0 DIADHO CCc1ccccc1CNCc1ccc(C[NH+](CC)CC)cc1 ZINC000320222562 1052487859 /nfs/dbraw/zinc/48/78/59/1052487859.db2.gz ZMLGZDGWQRIOIL-UHFFFAOYSA-N 1 3 310.485 4.381 20 0 DIADHO c1ccc([C@H]2C[N@@H+](CCCC3CCCCC3)CC23CNC3)cc1 ZINC001222595852 1052515706 /nfs/dbraw/zinc/51/57/06/1052515706.db2.gz KMBHNAASPBZRJS-HXUWFJFHSA-N 1 3 312.501 4.036 20 0 DIADHO c1ccc([C@H]2C[N@H+](CCCC3CCCCC3)CC23CNC3)cc1 ZINC001222595852 1052515714 /nfs/dbraw/zinc/51/57/14/1052515714.db2.gz KMBHNAASPBZRJS-HXUWFJFHSA-N 1 3 312.501 4.036 20 0 DIADHO c1ccc([C@H]2CN(CCCC3CCCCC3)CC23C[NH2+]C3)cc1 ZINC001222595852 1052515720 /nfs/dbraw/zinc/51/57/20/1052515720.db2.gz KMBHNAASPBZRJS-HXUWFJFHSA-N 1 3 312.501 4.036 20 0 DIADHO CCC[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000037649064 1052628051 /nfs/dbraw/zinc/62/80/51/1052628051.db2.gz XKWFXHLZDUYONE-RDTXWAMCSA-N 1 3 306.881 4.255 20 0 DIADHO CCC[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000037649064 1052628055 /nfs/dbraw/zinc/62/80/55/1052628055.db2.gz XKWFXHLZDUYONE-RDTXWAMCSA-N 1 3 306.881 4.255 20 0 DIADHO COc1ccc(Cl)cc1CNCCCC[N@@H+]1CCCC[C@H]1C ZINC000916834719 1052657863 /nfs/dbraw/zinc/65/78/63/1052657863.db2.gz VVMJNDVFNUHHGM-OAHLLOKOSA-N 1 3 324.896 4.093 20 0 DIADHO COc1ccc(Cl)cc1CNCCCC[N@H+]1CCCC[C@H]1C ZINC000916834719 1052657870 /nfs/dbraw/zinc/65/78/70/1052657870.db2.gz VVMJNDVFNUHHGM-OAHLLOKOSA-N 1 3 324.896 4.093 20 0 DIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc(Cl)cc2)c1 ZINC000065976595 1052683184 /nfs/dbraw/zinc/68/31/84/1052683184.db2.gz ZKGLUILSYNMWPW-UHFFFAOYSA-N 1 3 316.876 4.470 20 0 DIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc(Cl)cc2)c1 ZINC000065976595 1052683186 /nfs/dbraw/zinc/68/31/86/1052683186.db2.gz ZKGLUILSYNMWPW-UHFFFAOYSA-N 1 3 316.876 4.470 20 0 DIADHO CCC[NH+]1CCC(N[C@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000129794110 1052812219 /nfs/dbraw/zinc/81/22/19/1052812219.db2.gz OZXDLSYPMIJRHT-CQSZACIVSA-N 1 3 306.519 4.152 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C[C@H](c2ccccc2)C2CC2)CC1 ZINC000556210779 1052821612 /nfs/dbraw/zinc/82/16/12/1052821612.db2.gz RSXKDFBKYUHIFW-LJQANCHMSA-N 1 3 300.490 4.033 20 0 DIADHO CCC[N@@H+]1CC[C@@H](CNCc2ccccc2-c2ccccc2)C1 ZINC000920181435 1052925323 /nfs/dbraw/zinc/92/53/23/1052925323.db2.gz ZFRPPNTWOKJPJG-SFHVURJKSA-N 1 3 308.469 4.175 20 0 DIADHO CCC[N@H+]1CC[C@@H](CNCc2ccccc2-c2ccccc2)C1 ZINC000920181435 1052925326 /nfs/dbraw/zinc/92/53/26/1052925326.db2.gz ZFRPPNTWOKJPJG-SFHVURJKSA-N 1 3 308.469 4.175 20 0 DIADHO CC[N@@H+]1CCC[C@@H](CN[C@H]2CCCc3ccc(Cl)cc32)C1 ZINC001319685172 1053263962 /nfs/dbraw/zinc/26/39/62/1053263962.db2.gz MSNZMHFDEXLAQF-KSSFIOAISA-N 1 3 306.881 4.039 20 0 DIADHO CC[N@H+]1CCC[C@@H](CN[C@H]2CCCc3ccc(Cl)cc32)C1 ZINC001319685172 1053263973 /nfs/dbraw/zinc/26/39/73/1053263973.db2.gz MSNZMHFDEXLAQF-KSSFIOAISA-N 1 3 306.881 4.039 20 0 DIADHO Cc1cnc2ccccc2c1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001319799395 1053275421 /nfs/dbraw/zinc/27/54/21/1053275421.db2.gz VIYUUFPSHDLINX-UHFFFAOYSA-N 1 3 311.473 4.100 20 0 DIADHO Cc1cnc2ccccc2c1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001319799395 1053275427 /nfs/dbraw/zinc/27/54/27/1053275427.db2.gz VIYUUFPSHDLINX-UHFFFAOYSA-N 1 3 311.473 4.100 20 0 DIADHO CCN1CCC[C@@H](C[NH2+][C@@H](c2ccc(C)o2)C2CCCC2)C1 ZINC001319935722 1053286267 /nfs/dbraw/zinc/28/62/67/1053286267.db2.gz XBAIRLYDMIBYGI-QFBILLFUSA-N 1 3 304.478 4.141 20 0 DIADHO C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H](CC[NH3+])C1 ZINC000070169719 1053398636 /nfs/dbraw/zinc/39/86/36/1053398636.db2.gz ICLGBMMUXAAJND-VXGBXAGGSA-N 1 3 301.261 4.115 20 0 DIADHO CC[N@H+](C)Cc1cccc(CNCc2cc(C)sc2C)c1 ZINC001200243283 1053491520 /nfs/dbraw/zinc/49/15/20/1053491520.db2.gz GASTZNAZQMUMTI-UHFFFAOYSA-N 1 3 302.487 4.106 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CNCc2cc(C)sc2C)c1 ZINC001200243283 1053491526 /nfs/dbraw/zinc/49/15/26/1053491526.db2.gz GASTZNAZQMUMTI-UHFFFAOYSA-N 1 3 302.487 4.106 20 0 DIADHO Cc1c(F)ccc(CN(C2CCCC2)C2CC[NH+](C)CC2)c1F ZINC001231478794 1053760813 /nfs/dbraw/zinc/76/08/13/1053760813.db2.gz NIOGGLQBIIGEOC-UHFFFAOYSA-N 1 3 322.443 4.112 20 0 DIADHO CCc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)s1 ZINC001231502361 1053770529 /nfs/dbraw/zinc/77/05/29/1053770529.db2.gz ATPCJCZDCCHYOF-HOTGVXAUSA-N 1 3 306.519 4.149 20 0 DIADHO CCc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)s1 ZINC001231502361 1053770556 /nfs/dbraw/zinc/77/05/56/1053770556.db2.gz ATPCJCZDCCHYOF-HOTGVXAUSA-N 1 3 306.519 4.149 20 0 DIADHO CCC1(CC)CCC([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001200672907 1053873931 /nfs/dbraw/zinc/87/39/31/1053873931.db2.gz ULPFANGUHWZRFS-QZTJIDSGSA-N 1 3 324.553 4.214 20 0 DIADHO CC(C)CC[C@@H]1CC[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC001200671385 1053874239 /nfs/dbraw/zinc/87/42/39/1053874239.db2.gz AIAZJXDPUIUVHR-WTGUMLROSA-N 1 3 324.553 4.070 20 0 DIADHO CN1CC2(C1)CC[NH+](Cc1ccccc1-c1ccc(F)cc1)CC2 ZINC001231824987 1053879649 /nfs/dbraw/zinc/87/96/49/1053879649.db2.gz MRTQLTUOLSXMML-UHFFFAOYSA-N 1 3 324.443 4.020 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(SC(C)C)cc2)C1 ZINC000163274688 1053894564 /nfs/dbraw/zinc/89/45/64/1053894564.db2.gz WHQIUPXPXOGERQ-JKSUJKDBSA-N 1 3 306.519 4.180 20 0 DIADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CCC[C@H]2c2ccccc2)c1 ZINC001232145782 1053973629 /nfs/dbraw/zinc/97/36/29/1053973629.db2.gz ASNYIUQLXOEOGF-FQEVSTJZSA-N 1 3 312.432 4.224 20 0 DIADHO CN(C)Cc1cc(F)cc(C[N@H+]2CCC[C@H]2c2ccccc2)c1 ZINC001232145782 1053973636 /nfs/dbraw/zinc/97/36/36/1053973636.db2.gz ASNYIUQLXOEOGF-FQEVSTJZSA-N 1 3 312.432 4.224 20 0 DIADHO C[NH+](C)Cc1cc(F)cc(CN2CCC[C@H]2c2ccccc2)c1 ZINC001232145782 1053973656 /nfs/dbraw/zinc/97/36/56/1053973656.db2.gz ASNYIUQLXOEOGF-FQEVSTJZSA-N 1 3 312.432 4.224 20 0 DIADHO C[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)c1cccnc1 ZINC000290287198 1054046648 /nfs/dbraw/zinc/04/66/48/1054046648.db2.gz XRCQPCCQJWGXCP-ICSRJNTNSA-N 1 3 323.484 4.035 20 0 DIADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(Cl)s1 ZINC000171128464 1054348646 /nfs/dbraw/zinc/34/86/46/1054348646.db2.gz DTBBFBHSJFEKTC-LBPRGKRZSA-N 1 3 308.878 4.314 20 0 DIADHO CSc1ccc([C@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000171131842 1054349415 /nfs/dbraw/zinc/34/94/15/1054349415.db2.gz KIIVEWOHBGBFCY-HNNXBMFYSA-N 1 3 314.498 4.321 20 0 DIADHO CC[N@@H+]1CCC[C@@H](CN[C@@H](C)c2cc3ccccc3s2)C1 ZINC001343272321 1054439083 /nfs/dbraw/zinc/43/90/83/1054439083.db2.gz HLUOVVWWXPLVPG-GJZGRUSLSA-N 1 3 302.487 4.284 20 0 DIADHO CC[N@H+]1CCC[C@@H](CN[C@@H](C)c2cc3ccccc3s2)C1 ZINC001343272321 1054439093 /nfs/dbraw/zinc/43/90/93/1054439093.db2.gz HLUOVVWWXPLVPG-GJZGRUSLSA-N 1 3 302.487 4.284 20 0 DIADHO c1ccc2c(c1)oc1c2cccc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234994360 1054637678 /nfs/dbraw/zinc/63/76/78/1054637678.db2.gz SHPCKCDJHGGUSR-NRFANRHFSA-N 1 3 320.436 4.162 20 0 DIADHO Cc1cc(C[N@@H+]2CC3CC2(CN)C3)cc(C)c1-c1ccc(F)cc1 ZINC001235007591 1054641484 /nfs/dbraw/zinc/64/14/84/1054641484.db2.gz OTFANOBXMVASKO-UHFFFAOYSA-N 1 3 324.443 4.033 20 0 DIADHO Cc1cc(C[N@H+]2CC3CC2(CN)C3)cc(C)c1-c1ccc(F)cc1 ZINC001235007591 1054641492 /nfs/dbraw/zinc/64/14/92/1054641492.db2.gz OTFANOBXMVASKO-UHFFFAOYSA-N 1 3 324.443 4.033 20 0 DIADHO Cc1c2ccccc2sc1CN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235042364 1054646345 /nfs/dbraw/zinc/64/63/45/1054646345.db2.gz AXRRFFNACRVEND-LJQANCHMSA-N 1 3 314.498 4.318 20 0 DIADHO c1ccc(-c2ccc(CN3CCC[C@@]4(CCC[NH2+]4)CC3)cc2)cc1 ZINC001235040695 1054646650 /nfs/dbraw/zinc/64/66/50/1054646650.db2.gz MYJNNSAQWHVCIN-QFIPXVFZSA-N 1 3 320.480 4.462 20 0 DIADHO CC(C)=CCCC1=CC[C@@H](C[N@@H+]2CCC23CCNCC3)CC1 ZINC001235103212 1054656164 /nfs/dbraw/zinc/65/61/64/1054656164.db2.gz UKROWCLJHHMFAJ-LJQANCHMSA-N 1 3 302.506 4.287 20 0 DIADHO CC(C)=CCCC1=CC[C@@H](C[N@H+]2CCC23CCNCC3)CC1 ZINC001235103212 1054656174 /nfs/dbraw/zinc/65/61/74/1054656174.db2.gz UKROWCLJHHMFAJ-LJQANCHMSA-N 1 3 302.506 4.287 20 0 DIADHO c1ccc(-c2ccccc2C[N@@H+]2CCCC23CCNCC3)cc1 ZINC001235143976 1054664924 /nfs/dbraw/zinc/66/49/24/1054664924.db2.gz HGMPOGODHXMPQY-UHFFFAOYSA-N 1 3 306.453 4.072 20 0 DIADHO c1ccc(-c2ccccc2C[N@H+]2CCCC23CCNCC3)cc1 ZINC001235143976 1054664927 /nfs/dbraw/zinc/66/49/27/1054664927.db2.gz HGMPOGODHXMPQY-UHFFFAOYSA-N 1 3 306.453 4.072 20 0 DIADHO c1ccc(C2(C[N@@H+]3CCCC[C@@]34CCCNC4)CCCC2)cc1 ZINC001235171416 1054673762 /nfs/dbraw/zinc/67/37/62/1054673762.db2.gz JPXJTXGLPBXRFG-NRFANRHFSA-N 1 3 312.501 4.107 20 0 DIADHO c1ccc(C2(C[N@H+]3CCCC[C@@]34CCCNC4)CCCC2)cc1 ZINC001235171416 1054673768 /nfs/dbraw/zinc/67/37/68/1054673768.db2.gz JPXJTXGLPBXRFG-NRFANRHFSA-N 1 3 312.501 4.107 20 0 DIADHO C[NH+]1CCC2(CN(Cc3cc(-c4ccsc4)cs3)C2)CC1 ZINC001235188552 1054678372 /nfs/dbraw/zinc/67/83/72/1054678372.db2.gz KLRHIMGIGDCFDI-UHFFFAOYSA-N 1 3 318.511 4.004 20 0 DIADHO c1c2ccccc2sc1CN1CCCCC12CC[NH2+]CC2 ZINC001235191137 1054680389 /nfs/dbraw/zinc/68/03/89/1054680389.db2.gz PTRLSADHMCLEHO-UHFFFAOYSA-N 1 3 300.471 4.009 20 0 DIADHO c1c2ccccc2sc1C[N@@H+]1CCCCC12CCNCC2 ZINC001235191137 1054680395 /nfs/dbraw/zinc/68/03/95/1054680395.db2.gz PTRLSADHMCLEHO-UHFFFAOYSA-N 1 3 300.471 4.009 20 0 DIADHO c1c2ccccc2sc1C[N@H+]1CCCCC12CCNCC2 ZINC001235191137 1054680403 /nfs/dbraw/zinc/68/04/03/1054680403.db2.gz PTRLSADHMCLEHO-UHFFFAOYSA-N 1 3 300.471 4.009 20 0 DIADHO CN(Cc1ccccc1-c1ccccc1Cl)C1CC[NH2+]CC1 ZINC001235467255 1054730672 /nfs/dbraw/zinc/73/06/72/1054730672.db2.gz XOZAESYGEFKZET-UHFFFAOYSA-N 1 3 314.860 4.191 20 0 DIADHO C[N@H+](Cc1ccccc1-c1ccccc1Cl)C1CCNCC1 ZINC001235467255 1054730684 /nfs/dbraw/zinc/73/06/84/1054730684.db2.gz XOZAESYGEFKZET-UHFFFAOYSA-N 1 3 314.860 4.191 20 0 DIADHO C[N@@H+](Cc1ccccc1-c1ccccc1Cl)C1CCNCC1 ZINC001235467255 1054730698 /nfs/dbraw/zinc/73/06/98/1054730698.db2.gz XOZAESYGEFKZET-UHFFFAOYSA-N 1 3 314.860 4.191 20 0 DIADHO Cc1cc(CN(C)CCC2CC[NH2+]CC2)c(Cl)cc1Cl ZINC001235718303 1054787576 /nfs/dbraw/zinc/78/75/76/1054787576.db2.gz XCFXIULQWOBBEE-UHFFFAOYSA-N 1 3 315.288 4.123 20 0 DIADHO CCN(Cc1cccc(-c2ccc(F)cc2)c1)C1CC[NH2+]CC1 ZINC001235760640 1054801387 /nfs/dbraw/zinc/80/13/87/1054801387.db2.gz HBBLSIMFDBTITA-UHFFFAOYSA-N 1 3 312.432 4.067 20 0 DIADHO CC[N@H+](Cc1cccc(-c2ccc(F)cc2)c1)C1CCNCC1 ZINC001235760640 1054801398 /nfs/dbraw/zinc/80/13/98/1054801398.db2.gz HBBLSIMFDBTITA-UHFFFAOYSA-N 1 3 312.432 4.067 20 0 DIADHO CC[N@@H+](Cc1cccc(-c2ccc(F)cc2)c1)C1CCNCC1 ZINC001235760640 1054801407 /nfs/dbraw/zinc/80/14/07/1054801407.db2.gz HBBLSIMFDBTITA-UHFFFAOYSA-N 1 3 312.432 4.067 20 0 DIADHO C[C@@H]1CC[C@@H](N)C[N@@H+]1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001235908540 1054844880 /nfs/dbraw/zinc/84/48/80/1054844880.db2.gz YFSBDJZRIJWFLJ-NVXWUHKLSA-N 1 3 319.452 4.147 20 0 DIADHO C[C@@H]1CC[C@@H](N)C[N@H+]1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001235908540 1054844891 /nfs/dbraw/zinc/84/48/91/1054844891.db2.gz YFSBDJZRIJWFLJ-NVXWUHKLSA-N 1 3 319.452 4.147 20 0 DIADHO CCC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(C)sc1C ZINC000623995767 1054848477 /nfs/dbraw/zinc/84/84/77/1054848477.db2.gz ILVBBCQCADOVPF-YCXXCVGLSA-N 1 3 306.519 4.421 20 0 DIADHO CCC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(C)sc1C ZINC000623995767 1054848492 /nfs/dbraw/zinc/84/84/92/1054848492.db2.gz ILVBBCQCADOVPF-YCXXCVGLSA-N 1 3 306.519 4.421 20 0 DIADHO c1ccc2c(c1)sc1ccc(CN3C[C@H]4C[NH2+]CC[C@@H]4C3)cc12 ZINC001235940334 1054858728 /nfs/dbraw/zinc/85/87/28/1054858728.db2.gz SJOQTZHQCWGDEL-HZPDHXFCSA-N 1 3 322.477 4.096 20 0 DIADHO Cc1cc(C[N@@H+]2C[C@@H]3CC[C@]3(N)C2)cc(C)c1-c1ccc(F)cc1 ZINC001235989022 1054882658 /nfs/dbraw/zinc/88/26/58/1054882658.db2.gz BOAPPUYQQFHZBC-RXVVDRJESA-N 1 3 324.443 4.033 20 0 DIADHO Cc1cc(C[N@H+]2C[C@@H]3CC[C@]3(N)C2)cc(C)c1-c1ccc(F)cc1 ZINC001235989022 1054882670 /nfs/dbraw/zinc/88/26/70/1054882670.db2.gz BOAPPUYQQFHZBC-RXVVDRJESA-N 1 3 324.443 4.033 20 0 DIADHO Fc1ccc(CN2CC3(C2)CCC[NH2+]CC3)cc1-c1ccccc1 ZINC001236006649 1054892602 /nfs/dbraw/zinc/89/26/02/1054892602.db2.gz RCYQBVAPZIHUSP-UHFFFAOYSA-N 1 3 324.443 4.068 20 0 DIADHO Fc1c(CN2CCCCC2)cccc1-c1ccc2c(c1)CC[NH2+]C2 ZINC001236012225 1054897756 /nfs/dbraw/zinc/89/77/56/1054897756.db2.gz PCMQYQYEFRIWNL-UHFFFAOYSA-N 1 3 324.443 4.124 20 0 DIADHO C[NH2+]Cc1ccccc1-c1cccc(CN2CCCCC2)c1F ZINC001236016956 1054900638 /nfs/dbraw/zinc/90/06/38/1054900638.db2.gz JMMPPLMBNRUCGL-UHFFFAOYSA-N 1 3 312.432 4.198 20 0 DIADHO C[C@H]1C[C@@H](N)C[N@H+](Cc2ccccc2-c2ccc(Cl)cc2)C1 ZINC001236051342 1054916438 /nfs/dbraw/zinc/91/64/38/1054916438.db2.gz WAXMOXSRLCARTO-KBXCAEBGSA-N 1 3 314.860 4.176 20 0 DIADHO C[C@H]1C[C@@H](N)C[N@@H+](Cc2ccccc2-c2ccc(Cl)cc2)C1 ZINC001236051342 1054916450 /nfs/dbraw/zinc/91/64/50/1054916450.db2.gz WAXMOXSRLCARTO-KBXCAEBGSA-N 1 3 314.860 4.176 20 0 DIADHO C[C@@H]1C[C@@H](N)C[N@H+](Cc2ccccc2-c2ccc(Cl)cc2)C1 ZINC001236051348 1054917176 /nfs/dbraw/zinc/91/71/76/1054917176.db2.gz WAXMOXSRLCARTO-RDTXWAMCSA-N 1 3 314.860 4.176 20 0 DIADHO C[C@@H]1C[C@@H](N)C[N@@H+](Cc2ccccc2-c2ccc(Cl)cc2)C1 ZINC001236051348 1054917185 /nfs/dbraw/zinc/91/71/85/1054917185.db2.gz WAXMOXSRLCARTO-RDTXWAMCSA-N 1 3 314.860 4.176 20 0 DIADHO CCCN(Cc1ccc(Cl)c(C(C)C)c1)C1CC[NH2+]CC1 ZINC001236184984 1054984759 /nfs/dbraw/zinc/98/47/59/1054984759.db2.gz QCSDVLQVARPYEO-UHFFFAOYSA-N 1 3 308.897 4.427 20 0 DIADHO CCC[N@H+](Cc1ccc(Cl)c(C(C)C)c1)C1CCNCC1 ZINC001236184984 1054984768 /nfs/dbraw/zinc/98/47/68/1054984768.db2.gz QCSDVLQVARPYEO-UHFFFAOYSA-N 1 3 308.897 4.427 20 0 DIADHO CCC[N@@H+](Cc1ccc(Cl)c(C(C)C)c1)C1CCNCC1 ZINC001236184984 1054984780 /nfs/dbraw/zinc/98/47/80/1054984780.db2.gz QCSDVLQVARPYEO-UHFFFAOYSA-N 1 3 308.897 4.427 20 0 DIADHO C[N@H+](Cc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCCC[C@H]1N ZINC001236216580 1055006395 /nfs/dbraw/zinc/00/63/95/1055006395.db2.gz KLOKHJGJWXTOSC-UXHICEINSA-N 1 3 312.432 4.194 20 0 DIADHO C[N@@H+](Cc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCCC[C@H]1N ZINC001236216580 1055006405 /nfs/dbraw/zinc/00/64/05/1055006405.db2.gz KLOKHJGJWXTOSC-UXHICEINSA-N 1 3 312.432 4.194 20 0 DIADHO C[N@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)[C@H]1CCCC[C@H]1N ZINC001236219107 1055009709 /nfs/dbraw/zinc/00/97/09/1055009709.db2.gz ULTHBRUYULGZTL-AEFFLSMTSA-N 1 3 313.489 4.167 20 0 DIADHO C[N@@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)[C@H]1CCCC[C@H]1N ZINC001236219107 1055009725 /nfs/dbraw/zinc/00/97/25/1055009725.db2.gz ULTHBRUYULGZTL-AEFFLSMTSA-N 1 3 313.489 4.167 20 0 DIADHO C[N@H+](Cc1cccc2c3ccccc3oc21)[C@@H]1CCCC[C@H]1N ZINC001236218769 1055010205 /nfs/dbraw/zinc/01/02/05/1055010205.db2.gz UBMUKUBMDRLYAO-QZTJIDSGSA-N 1 3 308.425 4.288 20 0 DIADHO C[N@@H+](Cc1cccc2c3ccccc3oc21)[C@@H]1CCCC[C@H]1N ZINC001236218769 1055010211 /nfs/dbraw/zinc/01/02/11/1055010211.db2.gz UBMUKUBMDRLYAO-QZTJIDSGSA-N 1 3 308.425 4.288 20 0 DIADHO CCN(CCCCCC[NH3+])Cc1ccc(Cl)cc1Cl ZINC001236266266 1055045484 /nfs/dbraw/zinc/04/54/84/1055045484.db2.gz ORVQTPBMYWOVQI-UHFFFAOYSA-N 1 3 303.277 4.334 20 0 DIADHO c1ccc(CCCC[N@H+](C[C@H]2CCCNC2)C2CCCC2)cc1 ZINC001236369745 1055076484 /nfs/dbraw/zinc/07/64/84/1055076484.db2.gz CTDKNPRGABGIDN-FQEVSTJZSA-N 1 3 314.517 4.254 20 0 DIADHO c1ccc(CCCC[N@@H+](C[C@H]2CCCNC2)C2CCCC2)cc1 ZINC001236369745 1055076497 /nfs/dbraw/zinc/07/64/97/1055076497.db2.gz CTDKNPRGABGIDN-FQEVSTJZSA-N 1 3 314.517 4.254 20 0 DIADHO C[C@@H](C[N@H+](C[C@H]1CCCNC1)C1CCCC1)c1ccccc1 ZINC001236373500 1055078624 /nfs/dbraw/zinc/07/86/24/1055078624.db2.gz XUROYHKHQKMTQV-ROUUACIJSA-N 1 3 300.490 4.034 20 0 DIADHO C[C@@H](C[N@@H+](C[C@H]1CCCNC1)C1CCCC1)c1ccccc1 ZINC001236373500 1055078636 /nfs/dbraw/zinc/07/86/36/1055078636.db2.gz XUROYHKHQKMTQV-ROUUACIJSA-N 1 3 300.490 4.034 20 0 DIADHO Cc1ccc(C[N@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1C ZINC001236375453 1055081360 /nfs/dbraw/zinc/08/13/60/1055081360.db2.gz XYIHUXDDBGXDEB-LJQANCHMSA-N 1 3 300.490 4.048 20 0 DIADHO Cc1ccc(C[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1C ZINC001236375453 1055081374 /nfs/dbraw/zinc/08/13/74/1055081374.db2.gz XYIHUXDDBGXDEB-LJQANCHMSA-N 1 3 300.490 4.048 20 0 DIADHO Cc1c(F)cc(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1F ZINC001236375375 1055082189 /nfs/dbraw/zinc/08/21/89/1055082189.db2.gz JTQJOISHDNMZNI-HNNXBMFYSA-N 1 3 322.443 4.017 20 0 DIADHO CSc1ccc(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)s1 ZINC001236377097 1055082649 /nfs/dbraw/zinc/08/26/49/1055082649.db2.gz XOYSECFLNCAGCH-CQSZACIVSA-N 1 3 324.559 4.214 20 0 DIADHO Clc1csc(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236374594 1055083067 /nfs/dbraw/zinc/08/30/67/1055083067.db2.gz FNBMOORFAVGGEO-ZDUSSCGKSA-N 1 3 312.910 4.146 20 0 DIADHO CC(C)Oc1cccc(C[N@H+](CC(C)(C)C)C2CCNCC2)c1 ZINC001236456269 1055124369 /nfs/dbraw/zinc/12/43/69/1055124369.db2.gz AVPBRYAOVYHJAS-UHFFFAOYSA-N 1 3 318.505 4.074 20 0 DIADHO CC(C)Oc1cccc(C[N@@H+](CC(C)(C)C)C2CCNCC2)c1 ZINC001236456269 1055124377 /nfs/dbraw/zinc/12/43/77/1055124377.db2.gz AVPBRYAOVYHJAS-UHFFFAOYSA-N 1 3 318.505 4.074 20 0 DIADHO CC(C)Oc1cccc(CN(CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236456269 1055124380 /nfs/dbraw/zinc/12/43/80/1055124380.db2.gz AVPBRYAOVYHJAS-UHFFFAOYSA-N 1 3 318.505 4.074 20 0 DIADHO CC(C)(C)CN(Cc1coc2ccc(F)cc12)C1CC[NH2+]CC1 ZINC001236456652 1055125462 /nfs/dbraw/zinc/12/54/62/1055125462.db2.gz BWQXNVNFZXZCOI-UHFFFAOYSA-N 1 3 318.436 4.172 20 0 DIADHO CC(C)(C)C[N@H+](Cc1coc2ccc(F)cc12)C1CCNCC1 ZINC001236456652 1055125466 /nfs/dbraw/zinc/12/54/66/1055125466.db2.gz BWQXNVNFZXZCOI-UHFFFAOYSA-N 1 3 318.436 4.172 20 0 DIADHO CC(C)(C)C[N@@H+](Cc1coc2ccc(F)cc12)C1CCNCC1 ZINC001236456652 1055125470 /nfs/dbraw/zinc/12/54/70/1055125470.db2.gz BWQXNVNFZXZCOI-UHFFFAOYSA-N 1 3 318.436 4.172 20 0 DIADHO CCc1cccc(C)c1C[N@H+](CC(C)(C)C)C1CCNCC1 ZINC001236459741 1055126507 /nfs/dbraw/zinc/12/65/07/1055126507.db2.gz YCVOBJDJTNMSIY-UHFFFAOYSA-N 1 3 302.506 4.158 20 0 DIADHO CCc1cccc(C)c1C[N@@H+](CC(C)(C)C)C1CCNCC1 ZINC001236459741 1055126517 /nfs/dbraw/zinc/12/65/17/1055126517.db2.gz YCVOBJDJTNMSIY-UHFFFAOYSA-N 1 3 302.506 4.158 20 0 DIADHO Cc1cc(F)ccc1C[N@H+](CC1CCCCC1)C1CCNCC1 ZINC001236515934 1055156714 /nfs/dbraw/zinc/15/67/14/1055156714.db2.gz DARQFPBKNPAUOJ-UHFFFAOYSA-N 1 3 318.480 4.268 20 0 DIADHO Cc1cc(F)ccc1C[N@@H+](CC1CCCCC1)C1CCNCC1 ZINC001236515934 1055156718 /nfs/dbraw/zinc/15/67/18/1055156718.db2.gz DARQFPBKNPAUOJ-UHFFFAOYSA-N 1 3 318.480 4.268 20 0 DIADHO CCC(CC)C[N@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001236517592 1055158522 /nfs/dbraw/zinc/15/85/22/1055158522.db2.gz LRBUKRILHGPNFU-UHFFFAOYSA-N 1 3 306.469 4.124 20 0 DIADHO CCC(CC)C[N@@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001236517592 1055158527 /nfs/dbraw/zinc/15/85/27/1055158527.db2.gz LRBUKRILHGPNFU-UHFFFAOYSA-N 1 3 306.469 4.124 20 0 DIADHO CC1(C)CC[C@@H]1[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000381886823 1055190262 /nfs/dbraw/zinc/19/02/62/1055190262.db2.gz CAUCDGPDRONEDD-MOPGFXCFSA-N 1 3 300.490 4.067 20 0 DIADHO [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc([O-])cc2Cl)C2CCCC2)CC1 ZINC001236572013 1055193157 /nfs/dbraw/zinc/19/31/57/1055193157.db2.gz PWAIKFREGWLZGQ-KOMQPUFPSA-N 1 3 322.880 4.060 20 0 DIADHO [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc([O-])cc2Cl)C2CCCC2)CC1 ZINC001236572013 1055193164 /nfs/dbraw/zinc/19/31/64/1055193164.db2.gz PWAIKFREGWLZGQ-KOMQPUFPSA-N 1 3 322.880 4.060 20 0 DIADHO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000381982997 1055194555 /nfs/dbraw/zinc/19/45/55/1055194555.db2.gz NJURHLPIJIILJH-YZGWKJHDSA-N 1 3 300.490 4.067 20 0 DIADHO COC(C)(C)CCC[C@@H](C)CC[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001236584625 1055199089 /nfs/dbraw/zinc/19/90/89/1055199089.db2.gz MKQYESREGYYSLT-QZTJIDSGSA-N 1 3 324.553 4.072 20 0 DIADHO COC(C)(C)CCC[C@@H](C)CC[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001236584625 1055199091 /nfs/dbraw/zinc/19/90/91/1055199091.db2.gz MKQYESREGYYSLT-QZTJIDSGSA-N 1 3 324.553 4.072 20 0 DIADHO Cc1ccc2ccccc2c1CN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236598153 1055200929 /nfs/dbraw/zinc/20/09/29/1055200929.db2.gz HNELFMOFDSOGDF-QGZVFWFLSA-N 1 3 308.469 4.112 20 0 DIADHO Cc1cc(Cl)cc(C)c1C[N@H+](C1CCC1)C1CCNCC1 ZINC001236637115 1055208027 /nfs/dbraw/zinc/20/80/27/1055208027.db2.gz MRDIASYPCQKGCB-UHFFFAOYSA-N 1 3 306.881 4.063 20 0 DIADHO Cc1cc(Cl)cc(C)c1C[N@@H+](C1CCC1)C1CCNCC1 ZINC001236637115 1055208034 /nfs/dbraw/zinc/20/80/34/1055208034.db2.gz MRDIASYPCQKGCB-UHFFFAOYSA-N 1 3 306.881 4.063 20 0 DIADHO Cc1cc(Cl)cc(C)c1CN(C1CCC1)C1CC[NH2+]CC1 ZINC001236637115 1055208043 /nfs/dbraw/zinc/20/80/43/1055208043.db2.gz MRDIASYPCQKGCB-UHFFFAOYSA-N 1 3 306.881 4.063 20 0 DIADHO c1cc2ccc(C[N@H+](C3CCC3)C3CCNCC3)cc2s1 ZINC001236636213 1055208291 /nfs/dbraw/zinc/20/82/91/1055208291.db2.gz BHGAFVYJXXGNNM-UHFFFAOYSA-N 1 3 300.471 4.008 20 0 DIADHO c1cc2ccc(C[N@@H+](C3CCC3)C3CCNCC3)cc2s1 ZINC001236636213 1055208295 /nfs/dbraw/zinc/20/82/95/1055208295.db2.gz BHGAFVYJXXGNNM-UHFFFAOYSA-N 1 3 300.471 4.008 20 0 DIADHO c1cc2ccc(CN(C3CCC3)C3CC[NH2+]CC3)cc2s1 ZINC001236636213 1055208307 /nfs/dbraw/zinc/20/83/07/1055208307.db2.gz BHGAFVYJXXGNNM-UHFFFAOYSA-N 1 3 300.471 4.008 20 0 DIADHO CCCCc1ccc(CN(C2CCC2)C2CC[NH2+]CC2)s1 ZINC001236634709 1055209201 /nfs/dbraw/zinc/20/92/01/1055209201.db2.gz VULUCFRPIHYWRB-UHFFFAOYSA-N 1 3 306.519 4.197 20 0 DIADHO c1cc2c(cccc2C[N@H+]2CCCC[C@@H]2CCN2CCCC2)o1 ZINC001236742422 1055249302 /nfs/dbraw/zinc/24/93/02/1055249302.db2.gz DFEMBOCEGVIDMJ-GOSISDBHSA-N 1 3 312.457 4.273 20 0 DIADHO c1cc2c(cccc2C[N@@H+]2CCCC[C@@H]2CCN2CCCC2)o1 ZINC001236742422 1055249316 /nfs/dbraw/zinc/24/93/16/1055249316.db2.gz DFEMBOCEGVIDMJ-GOSISDBHSA-N 1 3 312.457 4.273 20 0 DIADHO CC(C)c1nc(CN(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)cs1 ZINC001236766082 1055252766 /nfs/dbraw/zinc/25/27/66/1055252766.db2.gz DGWAJCWFCKMSTF-KOMQPUFPSA-N 1 3 323.550 4.385 20 0 DIADHO CC(C)(C)C[N@H+](Cc1cc([O-])cc(Cl)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768745 1055255452 /nfs/dbraw/zinc/25/54/52/1055255452.db2.gz VQSWHDKRYVWNKW-WKILWMFISA-N 1 3 324.896 4.164 20 0 DIADHO CC(C)(C)C[N@@H+](Cc1cc([O-])cc(Cl)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768745 1055255458 /nfs/dbraw/zinc/25/54/58/1055255458.db2.gz VQSWHDKRYVWNKW-WKILWMFISA-N 1 3 324.896 4.164 20 0 DIADHO CCCCCCc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC001236828984 1055280524 /nfs/dbraw/zinc/28/05/24/1055280524.db2.gz JTWNWSUQFPLHLA-BMGDILEWSA-N 1 3 306.519 4.040 20 0 DIADHO CCCN(Cc1ccc(Oc2ccccc2)cc1)C[C@H]1CC[NH2+]C1 ZINC001236836880 1055284072 /nfs/dbraw/zinc/28/40/72/1055284072.db2.gz YXRYWWCHAQDJDI-IBGZPJMESA-N 1 3 324.468 4.300 20 0 DIADHO CC[C@H](N)C[N@H+](C)Cc1c2ccccc2n(C)c1-c1ccccc1 ZINC001236868693 1055297936 /nfs/dbraw/zinc/29/79/36/1055297936.db2.gz GAXSAVSOGKNVSS-KRWDZBQOSA-N 1 3 321.468 4.014 20 0 DIADHO CC[C@H](N)C[N@@H+](C)Cc1c2ccccc2n(C)c1-c1ccccc1 ZINC001236868693 1055297944 /nfs/dbraw/zinc/29/79/44/1055297944.db2.gz GAXSAVSOGKNVSS-KRWDZBQOSA-N 1 3 321.468 4.014 20 0 DIADHO Cc1cc(C[N@H+]2C[C@@H](N)C[C@H]2C)cc(C)c1-c1ccc(F)cc1 ZINC001237203578 1055404559 /nfs/dbraw/zinc/40/45/59/1055404559.db2.gz FZFMMHQPXYLEGE-BEFAXECRSA-N 1 3 312.432 4.031 20 0 DIADHO Cc1cc(C[N@@H+]2C[C@@H](N)C[C@H]2C)cc(C)c1-c1ccc(F)cc1 ZINC001237203578 1055404569 /nfs/dbraw/zinc/40/45/69/1055404569.db2.gz FZFMMHQPXYLEGE-BEFAXECRSA-N 1 3 312.432 4.031 20 0 DIADHO CCCCN1CCC([NH2+][C@@H](C)c2cc3ccccc3o2)CC1 ZINC000386080401 1055413590 /nfs/dbraw/zinc/41/35/90/1055413590.db2.gz DDEKLMAZEPWDNV-HNNXBMFYSA-N 1 3 300.446 4.348 20 0 DIADHO CC1=CC[C@@H](CC[N@@H+]2Cc3ccccc3C23CCNCC3)C1(C)C ZINC001237300965 1055421056 /nfs/dbraw/zinc/42/10/56/1055421056.db2.gz RWGKIESPAYYHQB-IBGZPJMESA-N 1 3 324.512 4.463 20 0 DIADHO CC1=CC[C@@H](CC[N@H+]2Cc3ccccc3C23CCNCC3)C1(C)C ZINC001237300965 1055421064 /nfs/dbraw/zinc/42/10/64/1055421064.db2.gz RWGKIESPAYYHQB-IBGZPJMESA-N 1 3 324.512 4.463 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@H+](C)CCc3ccccc3)cc21 ZINC001237881813 1055546244 /nfs/dbraw/zinc/54/62/44/1055546244.db2.gz VMCBSTMFIHOWOC-UHFFFAOYSA-N 1 3 320.480 4.362 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@@H+](C)CCc3ccccc3)cc21 ZINC001237881813 1055546251 /nfs/dbraw/zinc/54/62/51/1055546251.db2.gz VMCBSTMFIHOWOC-UHFFFAOYSA-N 1 3 320.480 4.362 20 0 DIADHO CC[N@H+](CCCN(C)C)Cc1cc(Cl)c(Cl)cc1C ZINC001238266860 1055634209 /nfs/dbraw/zinc/63/42/09/1055634209.db2.gz KKKDICWCQNJVIN-UHFFFAOYSA-N 1 3 303.277 4.075 20 0 DIADHO CC[N@@H+](CCCN(C)C)Cc1cc(Cl)c(Cl)cc1C ZINC001238266860 1055634211 /nfs/dbraw/zinc/63/42/11/1055634211.db2.gz KKKDICWCQNJVIN-UHFFFAOYSA-N 1 3 303.277 4.075 20 0 DIADHO CCCCCCc1ccc(CN2CC3(C2)CC[NH+](C)CC3)s1 ZINC001238702434 1055726526 /nfs/dbraw/zinc/72/65/26/1055726526.db2.gz DFRJFKUEWJQOGH-UHFFFAOYSA-N 1 3 320.546 4.399 20 0 DIADHO [NH3+]C1CCN(Cc2ccccc2-c2ccc(C3CC3)cc2)CC1 ZINC001238838409 1055760963 /nfs/dbraw/zinc/76/09/63/1055760963.db2.gz QPYZVMRQGIDNDQ-UHFFFAOYSA-N 1 3 306.453 4.154 20 0 DIADHO CC(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCN3C)C2)c(C(C)C)c1 ZINC001620506730 1055961728 /nfs/dbraw/zinc/96/17/28/1055961728.db2.gz MPGOIKMXGXJCDL-TZIWHRDSSA-N 1 3 314.517 4.459 20 0 DIADHO CC(C)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCN3C)C2)c(C(C)C)c1 ZINC001620506730 1055961740 /nfs/dbraw/zinc/96/17/40/1055961740.db2.gz MPGOIKMXGXJCDL-TZIWHRDSSA-N 1 3 314.517 4.459 20 0 DIADHO CCc1cccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001621030282 1055992161 /nfs/dbraw/zinc/99/21/61/1055992161.db2.gz AITSXASXXYXHEG-PGRDOPGGSA-N 1 3 322.496 4.107 20 0 DIADHO CCc1cccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001621030282 1055992168 /nfs/dbraw/zinc/99/21/68/1055992168.db2.gz AITSXASXXYXHEG-PGRDOPGGSA-N 1 3 322.496 4.107 20 0 DIADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C3CCCC3)c2)C1 ZINC001620818834 1056100863 /nfs/dbraw/zinc/10/08/63/1056100863.db2.gz HCXDETZPHKAPBP-UXHICEINSA-N 1 3 300.490 4.307 20 0 DIADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)C1 ZINC001116288078 1056196873 /nfs/dbraw/zinc/19/68/73/1056196873.db2.gz BZSAMJHBICTFRA-ZFWWWQNUSA-N 1 3 323.550 4.132 20 0 DIADHO c1ccc(C[N@H+]2CCC=C(c3ccc(CN4CCC4)cc3)C2)cc1 ZINC001240386473 1056469580 /nfs/dbraw/zinc/46/95/80/1056469580.db2.gz DNYSJXPHRGXBIO-UHFFFAOYSA-N 1 3 318.464 4.182 20 0 DIADHO c1ccc(C[N@@H+]2CCC=C(c3ccc(CN4CCC4)cc3)C2)cc1 ZINC001240386473 1056469585 /nfs/dbraw/zinc/46/95/85/1056469585.db2.gz DNYSJXPHRGXBIO-UHFFFAOYSA-N 1 3 318.464 4.182 20 0 DIADHO Cc1ccc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1C ZINC000062426796 1056552405 /nfs/dbraw/zinc/55/24/05/1056552405.db2.gz NBQFALHSERBTHR-QFIPXVFZSA-N 1 3 322.496 4.305 20 0 DIADHO Cc1ccc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000062426796 1056552416 /nfs/dbraw/zinc/55/24/16/1056552416.db2.gz NBQFALHSERBTHR-QFIPXVFZSA-N 1 3 322.496 4.305 20 0 DIADHO CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC001618048272 1056918424 /nfs/dbraw/zinc/91/84/24/1056918424.db2.gz KROQCOCRWXVEPE-ZWKOTPCHSA-N 1 3 306.881 4.209 20 0 DIADHO CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC001618048272 1056918433 /nfs/dbraw/zinc/91/84/33/1056918433.db2.gz KROQCOCRWXVEPE-ZWKOTPCHSA-N 1 3 306.881 4.209 20 0 DIADHO CC(C)c1cccc(-c2ccccc2CN2CCC([NH3+])CC2)c1 ZINC001241740160 1057152852 /nfs/dbraw/zinc/15/28/52/1057152852.db2.gz RNYAZKQAHJDFSE-UHFFFAOYSA-N 1 3 308.469 4.400 20 0 DIADHO [NH3+]Cc1ccc(-c2cccc3c2CN(Cc2ccccc2)C3)cc1 ZINC001241913900 1057209209 /nfs/dbraw/zinc/20/92/09/1057209209.db2.gz TWGAYLPOFLTBRJ-UHFFFAOYSA-N 1 3 314.432 4.328 20 0 DIADHO C[C@H](c1ccncc1)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000675641659 1057391221 /nfs/dbraw/zinc/39/12/21/1057391221.db2.gz RDJZYEAINAYOGW-QZTJIDSGSA-N 1 3 315.505 4.119 20 0 DIADHO C[C@H](c1ccncc1)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000675641659 1057391225 /nfs/dbraw/zinc/39/12/25/1057391225.db2.gz RDJZYEAINAYOGW-QZTJIDSGSA-N 1 3 315.505 4.119 20 0 DIADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000766166462 1057533941 /nfs/dbraw/zinc/53/39/41/1057533941.db2.gz SDGHZGBKDONIHY-MBNYWOFBSA-N 1 3 314.445 4.135 20 0 DIADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000766166462 1057533942 /nfs/dbraw/zinc/53/39/42/1057533942.db2.gz SDGHZGBKDONIHY-MBNYWOFBSA-N 1 3 314.445 4.135 20 0 DIADHO CC[NH+](CC)Cc1ccccc1-c1ccc(CN(C)C2CC2)cn1 ZINC001243336551 1057650656 /nfs/dbraw/zinc/65/06/56/1057650656.db2.gz WXCQOEXPDRPCMW-UHFFFAOYSA-N 1 3 323.484 4.185 20 0 DIADHO C[NH+]1CCC(c2ccc(-c3ccc4c(N)ccnc4c3)cc2)CC1 ZINC001243657355 1057745665 /nfs/dbraw/zinc/74/56/65/1057745665.db2.gz NWHNKUHLMGFQPG-UHFFFAOYSA-N 1 3 317.436 4.293 20 0 DIADHO c1ccc(C(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3)c2ccccc2)cc1 ZINC001246073126 1058663592 /nfs/dbraw/zinc/66/35/92/1058663592.db2.gz VCJLDKOWDVVBLQ-WKCHPHFGSA-N 1 3 320.480 4.081 20 0 DIADHO Clc1cccc(Cl)c1CN[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246073952 1058663657 /nfs/dbraw/zinc/66/36/57/1058663657.db2.gz MAVZHVRZRMBQNY-LBPRGKRZSA-N 1 3 313.272 4.005 20 0 DIADHO [NH3+]C[C@H](NC1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC001246077220 1058666034 /nfs/dbraw/zinc/66/60/34/1058666034.db2.gz QWDHTDXTBSDLOP-MNLRITNHSA-N 1 3 308.469 4.078 20 0 DIADHO c1ccc(C[C@@H]2C[C@H](N[C@H](c3ccccc3)C3CC3)CC[NH2+]2)cc1 ZINC001246082352 1058670472 /nfs/dbraw/zinc/67/04/72/1058670472.db2.gz VSPHHQMOESULDM-YPAWHYETSA-N 1 3 320.480 4.091 20 0 DIADHO c1ccc(C[C@@H]2C[C@H]([NH2+][C@H](c3ccccc3)C3CC3)CCN2)cc1 ZINC001246082352 1058670487 /nfs/dbraw/zinc/67/04/87/1058670487.db2.gz VSPHHQMOESULDM-YPAWHYETSA-N 1 3 320.480 4.091 20 0 DIADHO [NH3+]C[C@@H](NC1CCC2(CCc3ccccc32)CC1)c1ccccc1 ZINC001246078090 1058670871 /nfs/dbraw/zinc/67/08/71/1058670871.db2.gz GHYUGUKBEOHQPD-NJEKYYFSSA-N 1 3 320.480 4.103 20 0 DIADHO Cc1ccc(F)c(CNC2CCC3(CCC[NH2+]C3)CC2)c1Cl ZINC001246159234 1058701984 /nfs/dbraw/zinc/70/19/84/1058701984.db2.gz OLHNYOUNOFAWIX-UHFFFAOYSA-N 1 3 324.871 4.190 20 0 DIADHO CC[C@@H]1C[C@@H](NCCc2ccc(Oc3ccccc3)cc2)CC[NH2+]1 ZINC001246158848 1058702638 /nfs/dbraw/zinc/70/26/38/1058702638.db2.gz MOOLISJJJRNMFG-MOPGFXCFSA-N 1 3 324.468 4.142 20 0 DIADHO CC[C@@H]1C[C@@H]([NH2+]CCc2ccc(Oc3ccccc3)cc2)CCN1 ZINC001246158848 1058702658 /nfs/dbraw/zinc/70/26/58/1058702658.db2.gz MOOLISJJJRNMFG-MOPGFXCFSA-N 1 3 324.468 4.142 20 0 DIADHO C[C@H]1CC([NH2+]CCc2cccc(Oc3ccccc3)c2)C[C@H](C)N1 ZINC001246159971 1058702998 /nfs/dbraw/zinc/70/29/98/1058702998.db2.gz QULJWSDQWXIFOM-IRXDYDNUSA-N 1 3 324.468 4.140 20 0 DIADHO C[C@H]1CC(NCCc2cccc(Oc3ccccc3)c2)C[C@H](C)[NH2+]1 ZINC001246159971 1058703010 /nfs/dbraw/zinc/70/30/10/1058703010.db2.gz QULJWSDQWXIFOM-IRXDYDNUSA-N 1 3 324.468 4.140 20 0 DIADHO CC[C@@H]1C[C@@H](NCCc2ccc(-c3ccccc3)cc2)CC[NH2+]1 ZINC001246163360 1058706542 /nfs/dbraw/zinc/70/65/42/1058706542.db2.gz MKZVFHQFRZZXJR-RTWAWAEBSA-N 1 3 308.469 4.016 20 0 DIADHO CC[C@@H]1C[C@@H]([NH2+]CCc2ccc(-c3ccccc3)cc2)CCN1 ZINC001246163360 1058706561 /nfs/dbraw/zinc/70/65/61/1058706561.db2.gz MKZVFHQFRZZXJR-RTWAWAEBSA-N 1 3 308.469 4.016 20 0 DIADHO CC(C)c1ccc(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001246163124 1058707598 /nfs/dbraw/zinc/70/75/98/1058707598.db2.gz VUSKCOTUAZVGJD-SFTDATJTSA-N 1 3 308.469 4.393 20 0 DIADHO Fc1ccc(C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC001246170793 1058713886 /nfs/dbraw/zinc/71/38/86/1058713886.db2.gz NBMJYQADIHIBEJ-SJLPKXTDSA-N 1 3 318.823 4.062 20 0 DIADHO CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCC(c3ccccc3)CC2)CCN1 ZINC001246175318 1058717899 /nfs/dbraw/zinc/71/78/99/1058717899.db2.gz IQAHSZRNKJPFLG-NTFDOXNWSA-N 1 3 314.517 4.469 20 0 DIADHO C[C@@H]1CC([NH2+]CC2(c3ccccc3)CCCCC2)C[C@@H](C)N1 ZINC001246175130 1058718917 /nfs/dbraw/zinc/71/89/17/1058718917.db2.gz HAXCGJJKUXEBHF-IAGOWNOFSA-N 1 3 300.490 4.007 20 0 DIADHO c1ccc(C2(C[NH2+][C@@H]3CCNC4(CCC4)C3)CCCCC2)cc1 ZINC001246180560 1058725663 /nfs/dbraw/zinc/72/56/63/1058725663.db2.gz SVDQOLBIYVJYAC-LJQANCHMSA-N 1 3 312.501 4.153 20 0 DIADHO CC[C@H]1C[C@H]([NH2+]CC2(c3ccccc3)CCCCC2)CCN1 ZINC001246183376 1058725793 /nfs/dbraw/zinc/72/57/93/1058725793.db2.gz WTLXATPMDKTVNW-RBUKOAKNSA-N 1 3 300.490 4.009 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CCN1 ZINC001246181333 1058726879 /nfs/dbraw/zinc/72/68/79/1058726879.db2.gz VXTFOFWLTOPBFL-ZDAGSOFHSA-N 1 3 318.549 4.492 20 0 DIADHO CC(C)(C)[C@H]1C[C@H]([NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CCN1 ZINC001246181330 1058727391 /nfs/dbraw/zinc/72/73/91/1058727391.db2.gz VXTFOFWLTOPBFL-ATAVBESUSA-N 1 3 318.549 4.492 20 0 DIADHO c1ccc([C@@H]2C[C@@H](NCc3ccccc3C3CC3)CC[NH2+]2)cc1 ZINC001246186984 1058729710 /nfs/dbraw/zinc/72/97/10/1058729710.db2.gz DXFDWVBBDQRLAM-FPOVZHCZSA-N 1 3 306.453 4.147 20 0 DIADHO Cc1cc(C)c(C[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)c(C)c1 ZINC001246186372 1058731023 /nfs/dbraw/zinc/73/10/23/1058731023.db2.gz ZOCAUTCSEVHYJT-RTWAWAEBSA-N 1 3 322.496 4.065 20 0 DIADHO c1ccc([C@H]2C[C@@H](NCc3ccccc3C3CC3)CC[NH2+]2)cc1 ZINC001246186988 1058731761 /nfs/dbraw/zinc/73/17/61/1058731761.db2.gz DXFDWVBBDQRLAM-PZJWPPBQSA-N 1 3 306.453 4.147 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)N[C@@]1(C)CCC[NH2+]C1 ZINC001246190760 1058733368 /nfs/dbraw/zinc/73/33/68/1058733368.db2.gz SEWUUSPNKPRLEO-GCJKJVERSA-N 1 3 322.496 4.329 20 0 DIADHO CCCc1ccc(C[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246227870 1058750414 /nfs/dbraw/zinc/75/04/14/1058750414.db2.gz GLOFFGOGAHWOTC-YADHBBJMSA-N 1 3 322.496 4.092 20 0 DIADHO CC[C@H](N[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccc(C)cc1 ZINC001246230971 1058752924 /nfs/dbraw/zinc/75/29/24/1058752924.db2.gz BZTBFZPVBCBYDB-BDTNDASRSA-N 1 3 322.496 4.399 20 0 DIADHO CC[C@H]([NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1)c1ccc(C)cc1 ZINC001246230971 1058752938 /nfs/dbraw/zinc/75/29/38/1058752938.db2.gz BZTBFZPVBCBYDB-BDTNDASRSA-N 1 3 322.496 4.399 20 0 DIADHO CCCc1ccc(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001246229822 1058753074 /nfs/dbraw/zinc/75/30/74/1058753074.db2.gz LSOYGQMYXISTMA-SFTDATJTSA-N 1 3 308.469 4.222 20 0 DIADHO CC[C@@H]1CC(NCCc2ccc3ccccc3c2)C[C@@H](CC)[NH2+]1 ZINC001246232710 1058756257 /nfs/dbraw/zinc/75/62/57/1058756257.db2.gz IEXQUEFQZGIQMZ-WOJBJXKFSA-N 1 3 310.485 4.281 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H](NCCc2ccc3ccccc3c2)CC[NH2+]1 ZINC001246231729 1058757261 /nfs/dbraw/zinc/75/72/61/1058757261.db2.gz DPFLEGZNJNIRJF-VQTJNVASSA-N 1 3 310.485 4.139 20 0 DIADHO C[C@H]1CC([NH2+]CCC(c2ccccc2)c2ccccc2)C[C@H](C)N1 ZINC001246236597 1058760257 /nfs/dbraw/zinc/76/02/57/1058760257.db2.gz XKCWQYSOUHXGDM-ROUUACIJSA-N 1 3 322.496 4.327 20 0 DIADHO CC[C@H]1CC(NCC2(c3ccc(Cl)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246241084 1058763441 /nfs/dbraw/zinc/76/34/41/1058763441.db2.gz WQTJXBWKZPOWCP-IRXDYDNUSA-N 1 3 320.908 4.270 20 0 DIADHO CCCC[C@@H]1C[C@@H](NCC2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246241087 1058765989 /nfs/dbraw/zinc/76/59/89/1058765989.db2.gz WSXJCQGVSWMOQF-MSOLQXFVSA-N 1 3 320.908 4.272 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+]CCCc2cccc(Cl)c2)CCN1 ZINC001246254889 1058774011 /nfs/dbraw/zinc/77/40/11/1058774011.db2.gz AJUUIWUONPJRAW-MSOLQXFVSA-N 1 3 308.897 4.173 20 0 DIADHO C[C@H]1CC([NH2+]CCCc2ccc(Cl)cc2Cl)C[C@H](C)N1 ZINC001246255511 1058778304 /nfs/dbraw/zinc/77/83/04/1058778304.db2.gz LPNXMGRLDFIRPF-RYUDHWBXSA-N 1 3 315.288 4.045 20 0 DIADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)c2ccccc21 ZINC001246259719 1058781543 /nfs/dbraw/zinc/78/15/43/1058781543.db2.gz PMRZXQSTNRXQEB-GZHDQSLTSA-N 1 3 320.480 4.188 20 0 DIADHO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246273787 1058789094 /nfs/dbraw/zinc/78/90/94/1058789094.db2.gz VRNKLLPNIFYCQM-DFQSSKMNSA-N 1 3 308.469 4.009 20 0 DIADHO CCOc1cccc([C@@H](C)N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246294718 1058805796 /nfs/dbraw/zinc/80/57/96/1058805796.db2.gz HOMRITRQNVHFAO-PBEJRMEISA-N 1 3 324.468 4.229 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H](N[C@@H](c2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246294567 1058807280 /nfs/dbraw/zinc/80/72/80/1058807280.db2.gz XHUXQWKQTKHOGT-QYZOEREBSA-N 1 3 300.490 4.284 20 0 DIADHO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)c1 ZINC001246297783 1058810905 /nfs/dbraw/zinc/81/09/05/1058810905.db2.gz OFMXUKYBDDYGIW-STZQEDGTSA-N 1 3 322.496 4.317 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc3C2)CCN1 ZINC001246311872 1058821126 /nfs/dbraw/zinc/82/11/26/1058821126.db2.gz UTQDONAUHAFNPC-GUDVDZBRSA-N 1 3 320.908 4.098 20 0 DIADHO CC[C@@H](N[C@@H]1CC[NH2+]C2(CCCCC2)C1)c1ccccc1C ZINC001246314018 1058824042 /nfs/dbraw/zinc/82/40/42/1058824042.db2.gz MMIQHMOLFVKVGW-IEBWSBKVSA-N 1 3 300.490 4.491 20 0 DIADHO CC[C@@H](N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccc(F)c1 ZINC001246318076 1058829594 /nfs/dbraw/zinc/82/95/94/1058829594.db2.gz PTRMZUBPWMEJFK-AQNXPRMDSA-N 1 3 312.432 4.360 20 0 DIADHO C[C@@H]1C[C@@H](NC2(c3ccc(F)cc3)CC[NH2+]CC2)CC(C)(C)C1 ZINC001246335039 1058842187 /nfs/dbraw/zinc/84/21/87/1058842187.db2.gz GGPHLOVEERIXME-CRAIPNDOSA-N 1 3 318.480 4.209 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@]23C[C@H]4C[C@@](C)(C2)C[C@](C)(C4)C3)CCN1 ZINC001246337499 1058849616 /nfs/dbraw/zinc/84/96/16/1058849616.db2.gz VXTFOFWLTOPBFL-NITCWVKZSA-N 1 3 318.549 4.492 20 0 DIADHO CCCC[C@H]1C[C@@H](NCCc2ccc(C(C)C)cc2)CC[NH2+]1 ZINC001246343611 1058851002 /nfs/dbraw/zinc/85/10/02/1058851002.db2.gz NJZZBSDYAWOLOS-PMACEKPBSA-N 1 3 302.506 4.253 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH2+]CCc2ccc(C(C)C)cc2)CCN1 ZINC001246343611 1058851023 /nfs/dbraw/zinc/85/10/23/1058851023.db2.gz NJZZBSDYAWOLOS-PMACEKPBSA-N 1 3 302.506 4.253 20 0 DIADHO COc1cccc(C(C)(C)N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246363684 1058869359 /nfs/dbraw/zinc/86/93/59/1058869359.db2.gz SNOJEIMCFPOXFR-ICSRJNTNSA-N 1 3 324.468 4.013 20 0 DIADHO CC(C)CC1([NH2+][C@@H]2CCNC(C)(C)C2)CCC(F)(F)CC1 ZINC001246364439 1058870438 /nfs/dbraw/zinc/87/04/38/1058870438.db2.gz BQUPVKZHESTZLV-CQSZACIVSA-N 1 3 302.453 4.101 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]C(C)(C)CCN ZINC001246361580 1058870644 /nfs/dbraw/zinc/87/06/44/1058870644.db2.gz IUFFDOYBICCYPG-QGZVFWFLSA-N 1 3 310.485 4.314 20 0 DIADHO CC[C@@H]1C[C@H]([NH2+]C2(CC(C)C)CCC(F)(F)CC2)CCN1 ZINC001246372277 1058877201 /nfs/dbraw/zinc/87/72/01/1058877201.db2.gz ZMJCWMLXKCTNJN-HUUCEWRRSA-N 1 3 302.453 4.101 20 0 DIADHO C[C@H]1CC([NH2+]C2(c3ccccc3Cl)CCNCC2)C[C@H](C)C1 ZINC001246374819 1058879841 /nfs/dbraw/zinc/87/98/41/1058879841.db2.gz MCKURBPAIYNNAR-HUUCEWRRSA-N 1 3 320.908 4.333 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccccc2C)CCN1 ZINC001246373953 1058879999 /nfs/dbraw/zinc/87/99/99/1058879999.db2.gz SIBRSGOGSICQIB-MOPGFXCFSA-N 1 3 302.506 4.217 20 0 DIADHO C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3Cl)CCNCC2)C[C@@H]1C ZINC001246378888 1058882892 /nfs/dbraw/zinc/88/28/92/1058882892.db2.gz VEWZDUMVMZRVMI-OWCLPIDISA-N 1 3 320.908 4.333 20 0 DIADHO CCC1CCC([NH2+]C2(Cc3ccccc3F)CCNCC2)CC1 ZINC001246380092 1058883251 /nfs/dbraw/zinc/88/32/51/1058883251.db2.gz DGBGPRPXNSLGAB-UHFFFAOYSA-N 1 3 318.480 4.049 20 0 DIADHO CCCCCC[C@H](C)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246380971 1058884533 /nfs/dbraw/zinc/88/45/33/1058884533.db2.gz LRGFLBLSXOXPPL-KRWDZBQOSA-N 1 3 320.496 4.439 20 0 DIADHO CCC[C@H](CC)[NH2+]C1(Cc2ccc(Cl)cc2)CCNCC1 ZINC001246384798 1058886657 /nfs/dbraw/zinc/88/66/57/1058886657.db2.gz BXQGLMAAWDGKQF-KRWDZBQOSA-N 1 3 308.897 4.173 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)[NH2+]C1(CC2CC2)CCNCC1 ZINC001246381854 1058887999 /nfs/dbraw/zinc/88/79/99/1058887999.db2.gz SJMGAXFJMKMPRA-FQEVSTJZSA-N 1 3 314.517 4.300 20 0 DIADHO CC(C)[C@@H]1C[C@H](NCC2(Cc3ccccc3Cl)CC2)CC[NH2+]1 ZINC001246385170 1058889447 /nfs/dbraw/zinc/88/94/47/1058889447.db2.gz SIMXFUJECYYIMX-AEFFLSMTSA-N 1 3 320.908 4.029 20 0 DIADHO CC[C@@H]1C[C@H](NC2(Cc3cccc(F)c3)CCC2)C[C@H](CC)[NH2+]1 ZINC001246388465 1058894545 /nfs/dbraw/zinc/89/45/45/1058894545.db2.gz HQEBJYWVKPNVFC-BWTSREIZSA-N 1 3 318.480 4.190 20 0 DIADHO CC[C@@H](C)C[C@@H](CC)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246387672 1058894928 /nfs/dbraw/zinc/89/49/28/1058894928.db2.gz BVMKKQREIKOXRK-VQIMIIECSA-N 1 3 320.496 4.295 20 0 DIADHO C(C1CC1)C1([NH2+][C@H]2CCCC3(CCCCC3)C2)CCNCC1 ZINC001246392770 1058897086 /nfs/dbraw/zinc/89/70/86/1058897086.db2.gz RHVOVRYHZICSAX-SFHVURJKSA-N 1 3 304.522 4.391 20 0 DIADHO Fc1cccc([C@H](N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C2CC2)c1 ZINC001246399172 1058902172 /nfs/dbraw/zinc/90/21/72/1058902172.db2.gz GGOXSOXUGMTYQS-QHAWAJNXSA-N 1 3 324.443 4.360 20 0 DIADHO CC1(C)C[C@H]([NH2+]C2(CC3CCC3)CCC(F)(F)CC2)CCN1 ZINC001246406892 1058906509 /nfs/dbraw/zinc/90/65/09/1058906509.db2.gz QEXOAEYGSPDXEU-OAHLLOKOSA-N 1 3 314.464 4.245 20 0 DIADHO CC[C@H]1C[C@H](NC2(c3ccccc3)CCC(F)(F)CC2)CC[NH2+]1 ZINC001246408072 1058908116 /nfs/dbraw/zinc/90/81/16/1058908116.db2.gz UGRFOHNSUVRZFB-DLBZAZTESA-N 1 3 322.443 4.211 20 0 DIADHO CC(C)(C)[C@H]1C[C@H]([NH2+]CCCCc2ccc(Cl)cc2)CCN1 ZINC001246411412 1058913192 /nfs/dbraw/zinc/91/31/92/1058913192.db2.gz DDYOWGLEUCRNRU-QZTJIDSGSA-N 1 3 322.924 4.419 20 0 DIADHO CC(C)(C)C1CCC(NC2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC001246427002 1058920740 /nfs/dbraw/zinc/92/07/40/1058920740.db2.gz ACSFGEFOZQXEHD-UHFFFAOYSA-N 1 3 314.517 4.460 20 0 DIADHO CC[C@H](C[C@@H](C)CC)[NH2+]C1(c2ccccc2F)CCNCC1 ZINC001246427661 1058921082 /nfs/dbraw/zinc/92/10/82/1058921082.db2.gz FJBDATRSOKMUSK-JKSUJKDBSA-N 1 3 306.469 4.209 20 0 DIADHO CC(C)CCC[C@H](C)[NH2+]C1(c2ccccc2F)CCNCC1 ZINC001246431803 1058925687 /nfs/dbraw/zinc/92/56/87/1058925687.db2.gz SYGNAPQTESRQRV-INIZCTEOSA-N 1 3 306.469 4.209 20 0 DIADHO c1ccc([C@@H]2CC[C@@H](NC3(c4ccccc4)CC[NH2+]CC3)C2)cc1 ZINC001246430734 1058927052 /nfs/dbraw/zinc/92/70/52/1058927052.db2.gz QWZNPXNQRRLBRS-TZIWHRDSSA-N 1 3 320.480 4.191 20 0 DIADHO CC1(C)CCC[C@@H](NC2(c3cccc(Cl)c3)CC[NH2+]CC2)C1 ZINC001246430799 1058927633 /nfs/dbraw/zinc/92/76/33/1058927633.db2.gz ONJPKSUHVQVWLH-QGZVFWFLSA-N 1 3 320.908 4.477 20 0 DIADHO CC[C@@H]1CC(NC2(Cc3ccccc3F)CCC2)C[C@@H](CC)[NH2+]1 ZINC001246433897 1058928416 /nfs/dbraw/zinc/92/84/16/1058928416.db2.gz KTBBOSBTYCHPCQ-IAGOWNOFSA-N 1 3 318.480 4.190 20 0 DIADHO Cc1ccccc1C(C)(C)[NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246440754 1058933178 /nfs/dbraw/zinc/93/31/78/1058933178.db2.gz XFEYSZZTEZOOOZ-PMACEKPBSA-N 1 3 322.496 4.183 20 0 DIADHO CCCC[C@@H]1C[C@@H](NCC2(Cc3ccccc3F)CC2)CC[NH2+]1 ZINC001246440102 1058934642 /nfs/dbraw/zinc/93/46/42/1058934642.db2.gz RLMZSBLLCFVWFB-MSOLQXFVSA-N 1 3 318.480 4.049 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3F)CC2)CCN1 ZINC001246440102 1058934657 /nfs/dbraw/zinc/93/46/57/1058934657.db2.gz RLMZSBLLCFVWFB-MSOLQXFVSA-N 1 3 318.480 4.049 20 0 DIADHO CCC[C@@]1(C[NH2+][C@H](C)CC(C)(C)SCc2ccco2)CCN1 ZINC001246454660 1058940725 /nfs/dbraw/zinc/94/07/25/1058940725.db2.gz FZRRYSXSHACAOF-QAPCUYQASA-N 1 3 324.534 4.192 20 0 DIADHO CCCCC[C@@H](C)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246452398 1058941548 /nfs/dbraw/zinc/94/15/48/1058941548.db2.gz FBYJRUVFPXPUDC-MRXNPFEDSA-N 1 3 306.469 4.049 20 0 DIADHO CC[C@H](C)C[C@H](CC)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246457358 1058943668 /nfs/dbraw/zinc/94/36/68/1058943668.db2.gz JSCAAQLSCWZGOL-LPHOPBHVSA-N 1 3 320.496 4.295 20 0 DIADHO CC[C@@H](C)C[C@@H](CC)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246457363 1058946507 /nfs/dbraw/zinc/94/65/07/1058946507.db2.gz JSCAAQLSCWZGOL-VQIMIIECSA-N 1 3 320.496 4.295 20 0 DIADHO CC[C@H](C[C@@H](C)CC)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246457361 1058946847 /nfs/dbraw/zinc/94/68/47/1058946847.db2.gz JSCAAQLSCWZGOL-QFBILLFUSA-N 1 3 320.496 4.295 20 0 DIADHO c1ccc2c(c1)-c1ccccc1C2C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246471126 1058956706 /nfs/dbraw/zinc/95/67/06/1058956706.db2.gz RETSIWCYGRFVKC-FVQHAEBGSA-N 1 3 318.464 4.062 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)N[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246489948 1058965759 /nfs/dbraw/zinc/96/57/59/1058965759.db2.gz BZWWDFUTPPNAAB-LQWHRVPQSA-N 1 3 322.496 4.185 20 0 DIADHO CC[C@@H]1CC(N[C@@H]2CCCCc3ccccc32)C[C@@H](CC)[NH2+]1 ZINC001246496566 1058971188 /nfs/dbraw/zinc/97/11/88/1058971188.db2.gz JRXVUWRWFIUYPD-MBOZVWFJSA-N 1 3 300.490 4.353 20 0 DIADHO CC[C@H]([NH2+][C@H](C)CC(c1ccccc1)c1ccccc1)C1CNC1 ZINC001246519555 1058982949 /nfs/dbraw/zinc/98/29/49/1058982949.db2.gz SHJHCPPRCWNNJP-VGSWGCGISA-N 1 3 322.496 4.185 20 0 DIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@](C)(N)C1 ZINC001246540169 1058991738 /nfs/dbraw/zinc/99/17/38/1058991738.db2.gz LGYMPQCFYLWNAE-LRDDRELGSA-N 1 3 315.288 4.128 20 0 DIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@](C)(N)C1 ZINC001246540169 1058991759 /nfs/dbraw/zinc/99/17/59/1058991759.db2.gz LGYMPQCFYLWNAE-LRDDRELGSA-N 1 3 315.288 4.128 20 0 DIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)N1CCC[C@H]([NH3+])CC1 ZINC001246542517 1058995742 /nfs/dbraw/zinc/99/57/42/1058995742.db2.gz PUPASPDXWBKVIT-JSGCOSHPSA-N 1 3 315.288 4.128 20 0 DIADHO C[C@@H](CSc1ccc(Cl)cc1)N1CCC[C@@](C)([NH3+])CC1 ZINC001246555270 1058997106 /nfs/dbraw/zinc/99/71/06/1058997106.db2.gz WSPFXHNUXMLETE-XJKSGUPXSA-N 1 3 312.910 4.024 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246550055 1058998725 /nfs/dbraw/zinc/99/87/25/1058998725.db2.gz UOSNQJJWACARSU-WAOWUJCRSA-N 1 3 322.496 4.124 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246550055 1058998743 /nfs/dbraw/zinc/99/87/43/1058998743.db2.gz UOSNQJJWACARSU-WAOWUJCRSA-N 1 3 322.496 4.124 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCCC[C@H](CN)C1 ZINC001246582564 1059008883 /nfs/dbraw/zinc/00/88/83/1059008883.db2.gz NTSIWTNZXNFYOT-HZPDHXFCSA-N 1 3 324.534 4.131 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CCCC[C@H](CN)C1 ZINC001246582564 1059008899 /nfs/dbraw/zinc/00/88/99/1059008899.db2.gz NTSIWTNZXNFYOT-HZPDHXFCSA-N 1 3 324.534 4.131 20 0 DIADHO C[C@@H]1C[C@@H]([NH+]2CCC(Cc3cccc(Cl)c3)CC2)C[C@H](C)N1 ZINC001246596516 1059014529 /nfs/dbraw/zinc/01/45/29/1059014529.db2.gz JJOHFDCEXPPGQJ-CCWDJLKJSA-N 1 3 320.908 4.124 20 0 DIADHO C[C@@H]1C[C@@H]([NH+]2CCC(c3cccc(Cl)c3)CC2)C[C@H](C)N1 ZINC001246592832 1059015448 /nfs/dbraw/zinc/01/54/48/1059015448.db2.gz HGTAUZDOHZEGLI-ZSBFGKGUSA-N 1 3 306.881 4.048 20 0 DIADHO C[C@@H]1C[C@@H](N2CCC(c3cccc(Cl)c3)CC2)C[C@H](C)[NH2+]1 ZINC001246592832 1059015473 /nfs/dbraw/zinc/01/54/73/1059015473.db2.gz HGTAUZDOHZEGLI-ZSBFGKGUSA-N 1 3 306.881 4.048 20 0 DIADHO CCC[C@H](Cc1ccccc1)[N@H+](C(C)C)[C@@H]1CCCNCC1 ZINC001246593426 1059018382 /nfs/dbraw/zinc/01/83/82/1059018382.db2.gz MUVZXMZIOLRUAK-WOJBJXKFSA-N 1 3 302.506 4.250 20 0 DIADHO CCC[C@H](Cc1ccccc1)[N@@H+](C(C)C)[C@@H]1CCCNCC1 ZINC001246593426 1059018405 /nfs/dbraw/zinc/01/84/05/1059018405.db2.gz MUVZXMZIOLRUAK-WOJBJXKFSA-N 1 3 302.506 4.250 20 0 DIADHO C[C@H]1CC[C@@H](CN)C[N@@H+]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246589421 1059019296 /nfs/dbraw/zinc/01/92/96/1059019296.db2.gz DZTDEQNLCQOXTJ-KRIWPVKQSA-N 1 3 320.908 4.425 20 0 DIADHO C[C@H]1CC[C@@H](CN)C[N@H+]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246589421 1059019318 /nfs/dbraw/zinc/01/93/18/1059019318.db2.gz DZTDEQNLCQOXTJ-KRIWPVKQSA-N 1 3 320.908 4.425 20 0 DIADHO Clc1ccc(C2CC[NH+]([C@@H]3CCNC4(CCC4)C3)CC2)cc1 ZINC001246597022 1059019597 /nfs/dbraw/zinc/01/95/97/1059019597.db2.gz DQJOCAFGEYUSFM-GOSISDBHSA-N 1 3 318.892 4.194 20 0 DIADHO Clc1ccc(C2CCN([C@@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC001246597022 1059019626 /nfs/dbraw/zinc/01/96/26/1059019626.db2.gz DQJOCAFGEYUSFM-GOSISDBHSA-N 1 3 318.892 4.194 20 0 DIADHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246589423 1059020047 /nfs/dbraw/zinc/02/00/47/1059020047.db2.gz DZTDEQNLCQOXTJ-VKUSLMQGSA-N 1 3 320.908 4.425 20 0 DIADHO C[C@@H]1CC[C@@H](CN)C[N@H+]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246589423 1059020069 /nfs/dbraw/zinc/02/00/69/1059020069.db2.gz DZTDEQNLCQOXTJ-VKUSLMQGSA-N 1 3 320.908 4.425 20 0 DIADHO CC(C)[C@@H]1C[C@H](N2CCC(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246600288 1059022135 /nfs/dbraw/zinc/02/21/35/1059022135.db2.gz LHWHFRDIHXOXFZ-MOPGFXCFSA-N 1 3 320.908 4.296 20 0 DIADHO C[C@H]1CC([NH+]2CCC(c3ccc(Cl)cc3)CC2)C[C@H](C)N1 ZINC001246605880 1059023982 /nfs/dbraw/zinc/02/39/82/1059023982.db2.gz XWQCIOYIZILLRX-KBPBESRZSA-N 1 3 306.881 4.048 20 0 DIADHO C[C@H]1CC(N2CCC(c3ccc(Cl)cc3)CC2)C[C@H](C)[NH2+]1 ZINC001246605880 1059024004 /nfs/dbraw/zinc/02/40/04/1059024004.db2.gz XWQCIOYIZILLRX-KBPBESRZSA-N 1 3 306.881 4.048 20 0 DIADHO C[C@H](Cc1cccc(F)c1)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246612331 1059027512 /nfs/dbraw/zinc/02/75/12/1059027512.db2.gz VPFGORKOLUPMEO-YLJYHZDGSA-N 1 3 318.480 4.003 20 0 DIADHO c1ccc(CC2CCC([N@@H+]3CCC[C@@]34CCCNC4)CC2)cc1 ZINC001246610050 1059028174 /nfs/dbraw/zinc/02/81/74/1059028174.db2.gz NSFOFLAZPPPLQQ-XVAXZDLZSA-N 1 3 312.501 4.006 20 0 DIADHO c1ccc(CC2CCC([N@H+]3CCC[C@@]34CCCNC4)CC2)cc1 ZINC001246610050 1059028194 /nfs/dbraw/zinc/02/81/94/1059028194.db2.gz NSFOFLAZPPPLQQ-XVAXZDLZSA-N 1 3 312.501 4.006 20 0 DIADHO c1ccc(CC2CCC([N@@H+]3CC[C@]4(C3)CCCCN4)CC2)cc1 ZINC001246619953 1059032372 /nfs/dbraw/zinc/03/23/72/1059032372.db2.gz JMQROVLVKOTYIG-CBNMVNINSA-N 1 3 312.501 4.006 20 0 DIADHO c1ccc(CC2CCC([N@H+]3CC[C@]4(C3)CCCCN4)CC2)cc1 ZINC001246619953 1059032389 /nfs/dbraw/zinc/03/23/89/1059032389.db2.gz JMQROVLVKOTYIG-CBNMVNINSA-N 1 3 312.501 4.006 20 0 DIADHO Cc1ccc(SC[C@H](C)N2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001246628652 1059038740 /nfs/dbraw/zinc/03/87/40/1059038740.db2.gz BXTQUYZCOJCCTI-PKOBYXMFSA-N 1 3 318.530 4.084 20 0 DIADHO c1ccc2c(c1)CCC21CCC([N@H+]2CCCC23CCNCC3)CC1 ZINC001246646986 1059046926 /nfs/dbraw/zinc/04/69/26/1059046926.db2.gz RFQSTPXFCABKML-UHFFFAOYSA-N 1 3 324.512 4.031 20 0 DIADHO c1ccc2c(c1)CCC21CCC([N@@H+]2CCCC23CCNCC3)CC1 ZINC001246646986 1059046948 /nfs/dbraw/zinc/04/69/48/1059046948.db2.gz RFQSTPXFCABKML-UHFFFAOYSA-N 1 3 324.512 4.031 20 0 DIADHO Cc1ccc(SC[C@@H](C)[N@@H+]2CCCCC23CCNCC3)cc1 ZINC001246649352 1059048104 /nfs/dbraw/zinc/04/81/04/1059048104.db2.gz XRPPAAQRRWNBAD-QGZVFWFLSA-N 1 3 318.530 4.084 20 0 DIADHO Cc1ccc(SC[C@@H](C)[N@H+]2CCCCC23CCNCC3)cc1 ZINC001246649352 1059048133 /nfs/dbraw/zinc/04/81/33/1059048133.db2.gz XRPPAAQRRWNBAD-QGZVFWFLSA-N 1 3 318.530 4.084 20 0 DIADHO Cc1ccc(SC[C@@H](C)N2CCCCC23CC[NH2+]CC3)cc1 ZINC001246649352 1059048157 /nfs/dbraw/zinc/04/81/57/1059048157.db2.gz XRPPAAQRRWNBAD-QGZVFWFLSA-N 1 3 318.530 4.084 20 0 DIADHO CCCC[C@@H]1C[C@@H](N2CCC3(C=Cc4ccccc43)CC2)CC[NH2+]1 ZINC001246648188 1059048586 /nfs/dbraw/zinc/04/85/86/1059048586.db2.gz PAQKFPNJWXDISQ-UXHICEINSA-N 1 3 324.512 4.358 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH+]2CCC3(C=Cc4ccccc43)CC2)CCN1 ZINC001246648188 1059048609 /nfs/dbraw/zinc/04/86/09/1059048609.db2.gz PAQKFPNJWXDISQ-UXHICEINSA-N 1 3 324.512 4.358 20 0 DIADHO c1ccc([C@@H]2CCC[C@@H]([N@H+]3CCCCC34CCNCC4)C2)cc1 ZINC001246648473 1059049527 /nfs/dbraw/zinc/04/95/27/1059049527.db2.gz PVGVDGFFTPNEKC-WOJBJXKFSA-N 1 3 312.501 4.321 20 0 DIADHO c1ccc([C@@H]2CCC[C@@H]([N@@H+]3CCCCC34CCNCC4)C2)cc1 ZINC001246648473 1059049554 /nfs/dbraw/zinc/04/95/54/1059049554.db2.gz PVGVDGFFTPNEKC-WOJBJXKFSA-N 1 3 312.501 4.321 20 0 DIADHO c1ccc([C@@H]2CCC[C@H]([N@H+]3CCCC[C@]34CCCNC4)C2)cc1 ZINC001246651517 1059055106 /nfs/dbraw/zinc/05/51/06/1059055106.db2.gz LXRGHEIKRGFHFP-QHAWAJNXSA-N 1 3 312.501 4.321 20 0 DIADHO c1ccc([C@@H]2CCC[C@H]([N@@H+]3CCCC[C@]34CCCNC4)C2)cc1 ZINC001246651517 1059055125 /nfs/dbraw/zinc/05/51/25/1059055125.db2.gz LXRGHEIKRGFHFP-QHAWAJNXSA-N 1 3 312.501 4.321 20 0 DIADHO c1ccc([C@@H]2CCC[C@H](N3CCCC[C@]34CCC[NH2+]C4)C2)cc1 ZINC001246651517 1059055143 /nfs/dbraw/zinc/05/51/43/1059055143.db2.gz LXRGHEIKRGFHFP-QHAWAJNXSA-N 1 3 312.501 4.321 20 0 DIADHO CCCC(CCC)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246675846 1059058169 /nfs/dbraw/zinc/05/81/69/1059058169.db2.gz YJWKRLPFTVUKQG-CTNGQTDRSA-N 1 3 314.517 4.208 20 0 DIADHO CCCC(CCC)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246675846 1059058187 /nfs/dbraw/zinc/05/81/87/1059058187.db2.gz YJWKRLPFTVUKQG-CTNGQTDRSA-N 1 3 314.517 4.208 20 0 DIADHO CN(Cc1cccc2ccccc21)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246775581 1059072669 /nfs/dbraw/zinc/07/26/69/1059072669.db2.gz IXRVZEILBJHBDC-QUCCMNQESA-N 1 3 310.485 4.438 20 0 DIADHO CCCC[C@@H]1C[C@@H](N2CCC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246779765 1059081756 /nfs/dbraw/zinc/08/17/56/1059081756.db2.gz UHUQBVLVVHTLPQ-ZCNNSNEGSA-N 1 3 300.490 4.177 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246779765 1059081774 /nfs/dbraw/zinc/08/17/74/1059081774.db2.gz UHUQBVLVVHTLPQ-ZCNNSNEGSA-N 1 3 300.490 4.177 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246779765 1059081795 /nfs/dbraw/zinc/08/17/95/1059081795.db2.gz UHUQBVLVVHTLPQ-ZCNNSNEGSA-N 1 3 300.490 4.177 20 0 DIADHO c1csc([C@@H]2CCCN2[C@H]2CC[NH2+]C3(CCCCC3)C2)c1 ZINC001246786607 1059083978 /nfs/dbraw/zinc/08/39/78/1059083978.db2.gz MDLYHASMVKBCFM-HOTGVXAUSA-N 1 3 304.503 4.340 20 0 DIADHO CCCC[C@@H]1C[C@@H](N2CCC[C@@H]2c2ccc(OC)cc2)CC[NH2+]1 ZINC001246788340 1059086592 /nfs/dbraw/zinc/08/65/92/1059086592.db2.gz RDOOVNNCMDODHC-WSTZPKSXSA-N 1 3 316.489 4.143 20 0 DIADHO C[C@@H]1C[C@@H]([NH+]2CCC(CCc3ccc(Cl)cc3)CC2)CCN1 ZINC001246788719 1059088504 /nfs/dbraw/zinc/08/85/04/1059088504.db2.gz IAFXNYNIXUESEZ-BEFAXECRSA-N 1 3 320.908 4.125 20 0 DIADHO CC[C@@H]1C[C@@H](N2CCC[C@@H]2c2ccccc2OC)C[C@H](CC)[NH2+]1 ZINC001246792526 1059099257 /nfs/dbraw/zinc/09/92/57/1059099257.db2.gz QLXBIEUVPPTQFA-SFNKJDCFSA-N 1 3 316.489 4.141 20 0 DIADHO C[Si](C)(C)C[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246814250 1059107732 /nfs/dbraw/zinc/10/77/32/1059107732.db2.gz POFGGIKDWLSOMN-REPLKXPHSA-N 1 3 316.565 4.039 20 0 DIADHO C[Si](C)(C)C[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246814250 1059107742 /nfs/dbraw/zinc/10/77/42/1059107742.db2.gz POFGGIKDWLSOMN-REPLKXPHSA-N 1 3 316.565 4.039 20 0 DIADHO c1ccc(C(c2ccccc2)[C@H]2CCC[N@@H+]2C2CCNCC2)cc1 ZINC001246818444 1059110622 /nfs/dbraw/zinc/11/06/22/1059110622.db2.gz ASOYZESBYNJFOY-OAQYLSRUSA-N 1 3 320.480 4.035 20 0 DIADHO c1ccc(C(c2ccccc2)[C@H]2CCC[N@H+]2C2CCNCC2)cc1 ZINC001246818444 1059110635 /nfs/dbraw/zinc/11/06/35/1059110635.db2.gz ASOYZESBYNJFOY-OAQYLSRUSA-N 1 3 320.480 4.035 20 0 DIADHO Fc1cccc([C@@H]2CCN([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)c1 ZINC001246833541 1059115968 /nfs/dbraw/zinc/11/59/68/1059115968.db2.gz LSCZYJSCTJCRMS-IEBWSBKVSA-N 1 3 316.464 4.070 20 0 DIADHO CC[C@@H]1C[C@H](N(CCc2ccccc2)Cc2ccccc2)CC[NH2+]1 ZINC001246838897 1059120081 /nfs/dbraw/zinc/12/00/81/1059120081.db2.gz KDIGYYMCLXMUHC-FGZHOGPDSA-N 1 3 322.496 4.262 20 0 DIADHO CC[C@@H]1C[C@H]([N@H+](CCc2ccccc2)Cc2ccccc2)CCN1 ZINC001246838897 1059120093 /nfs/dbraw/zinc/12/00/93/1059120093.db2.gz KDIGYYMCLXMUHC-FGZHOGPDSA-N 1 3 322.496 4.262 20 0 DIADHO CC[C@@H]1C[C@H]([N@@H+](CCc2ccccc2)Cc2ccccc2)CCN1 ZINC001246838897 1059120102 /nfs/dbraw/zinc/12/01/02/1059120102.db2.gz KDIGYYMCLXMUHC-FGZHOGPDSA-N 1 3 322.496 4.262 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](c3ccccc3)CC2)CCN1 ZINC001246844666 1059123408 /nfs/dbraw/zinc/12/34/08/1059123408.db2.gz KCEDJMSHZRLEAR-AABGKKOBSA-N 1 3 314.517 4.423 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)CC2)CCN1 ZINC001246844666 1059123417 /nfs/dbraw/zinc/12/34/17/1059123417.db2.gz KCEDJMSHZRLEAR-AABGKKOBSA-N 1 3 314.517 4.423 20 0 DIADHO C[N@H+](C[C@H]1CCCNC1)C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246843201 1059123570 /nfs/dbraw/zinc/12/35/70/1059123570.db2.gz UVBVOSCMERPVBW-DMKPSLHHSA-N 1 3 320.908 4.298 20 0 DIADHO C[N@@H+](C[C@H]1CCCNC1)C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246843201 1059123579 /nfs/dbraw/zinc/12/35/79/1059123579.db2.gz UVBVOSCMERPVBW-DMKPSLHHSA-N 1 3 320.908 4.298 20 0 DIADHO CCCC[C@@H]1C[C@H](N2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246852151 1059132235 /nfs/dbraw/zinc/13/22/35/1059132235.db2.gz NFEJXGNWYQNTGI-BHIYHBOVSA-N 1 3 320.908 4.440 20 0 DIADHO CCN(Cc1c(F)cccc1Cl)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246879878 1059145687 /nfs/dbraw/zinc/14/56/87/1059145687.db2.gz PXOFYWJCBKOVKG-KDOFPFPSSA-N 1 3 324.871 4.223 20 0 DIADHO Clc1ccc(SC2CCN([C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC001246877352 1059146714 /nfs/dbraw/zinc/14/67/14/1059146714.db2.gz CJYCTJYSVACKCA-OAHLLOKOSA-N 1 3 324.921 4.039 20 0 DIADHO CSc1ccccc1[C@@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246889553 1059155779 /nfs/dbraw/zinc/15/57/79/1059155779.db2.gz QXWPFAPEQMYUNG-DFGXFYAUSA-N 1 3 316.514 4.219 20 0 DIADHO CSc1ccccc1[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246889553 1059155786 /nfs/dbraw/zinc/15/57/86/1059155786.db2.gz QXWPFAPEQMYUNG-DFGXFYAUSA-N 1 3 316.514 4.219 20 0 DIADHO CSc1ccccc1[C@@H]1CCCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246889553 1059155796 /nfs/dbraw/zinc/15/57/96/1059155796.db2.gz QXWPFAPEQMYUNG-DFGXFYAUSA-N 1 3 316.514 4.219 20 0 DIADHO C[N@H+]([C@H]1CCN[C@H](C(C)(C)C)C1)C(C)(C)Cc1ccccc1 ZINC001246895773 1059160719 /nfs/dbraw/zinc/16/07/19/1059160719.db2.gz YANVJHZBEJENOJ-ROUUACIJSA-N 1 3 302.506 4.106 20 0 DIADHO C[N@@H+]([C@H]1CCN[C@H](C(C)(C)C)C1)C(C)(C)Cc1ccccc1 ZINC001246895773 1059160722 /nfs/dbraw/zinc/16/07/22/1059160722.db2.gz YANVJHZBEJENOJ-ROUUACIJSA-N 1 3 302.506 4.106 20 0 DIADHO CCN(Cc1ccc(C)cc1)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246906659 1059166702 /nfs/dbraw/zinc/16/67/02/1059166702.db2.gz FUTJEJDBTCTZDC-LJQANCHMSA-N 1 3 300.490 4.272 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H](N)[C@H]1C ZINC001246937969 1059182735 /nfs/dbraw/zinc/18/27/35/1059182735.db2.gz KSCXNKAGXSDCGD-HSMVNMDESA-N 1 3 315.288 4.126 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H](N)[C@H]1C ZINC001246937969 1059182748 /nfs/dbraw/zinc/18/27/48/1059182748.db2.gz KSCXNKAGXSDCGD-HSMVNMDESA-N 1 3 315.288 4.126 20 0 DIADHO CC[C@H](Cc1ccccc1)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246938323 1059185461 /nfs/dbraw/zinc/18/54/61/1059185461.db2.gz OZUQMIQQNNSEHT-WOJBJXKFSA-N 1 3 314.517 4.252 20 0 DIADHO CC[C@H](Cc1ccccc1)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246938323 1059185478 /nfs/dbraw/zinc/18/54/78/1059185478.db2.gz OZUQMIQQNNSEHT-WOJBJXKFSA-N 1 3 314.517 4.252 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCC(C)(c3ccccc3)CC2)CCN1 ZINC001246945872 1059189009 /nfs/dbraw/zinc/18/90/09/1059189009.db2.gz MICNSRDGEUYKJD-OALUTQOASA-N 1 3 314.517 4.207 20 0 DIADHO CC1(C)CC[C@@H]([N@H+](Cc2ccc(Cl)cc2)C2CCNCC2)C1 ZINC001246948003 1059195818 /nfs/dbraw/zinc/19/58/18/1059195818.db2.gz ZIJVJLHDEZHUFR-GOSISDBHSA-N 1 3 320.908 4.473 20 0 DIADHO CC1(C)CC[C@@H]([N@@H+](Cc2ccc(Cl)cc2)C2CCNCC2)C1 ZINC001246948003 1059195824 /nfs/dbraw/zinc/19/58/24/1059195824.db2.gz ZIJVJLHDEZHUFR-GOSISDBHSA-N 1 3 320.908 4.473 20 0 DIADHO CCCC[C@@H](CC)[N@H+](Cc1ccc(F)c(F)c1)C1CCNCC1 ZINC001246955941 1059200101 /nfs/dbraw/zinc/20/01/01/1059200101.db2.gz ODGUSVWDMIDOCO-MRXNPFEDSA-N 1 3 324.459 4.488 20 0 DIADHO CCCC[C@@H](CC)[N@@H+](Cc1ccc(F)c(F)c1)C1CCNCC1 ZINC001246955941 1059200115 /nfs/dbraw/zinc/20/01/15/1059200115.db2.gz ODGUSVWDMIDOCO-MRXNPFEDSA-N 1 3 324.459 4.488 20 0 DIADHO CCCC[C@@H](CC)N(Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001246955941 1059200135 /nfs/dbraw/zinc/20/01/35/1059200135.db2.gz ODGUSVWDMIDOCO-MRXNPFEDSA-N 1 3 324.459 4.488 20 0 DIADHO CCC[C@@H](CC)[N@H+](Cc1ccc(F)c(F)c1)C1CCNCC1 ZINC001246954889 1059201045 /nfs/dbraw/zinc/20/10/45/1059201045.db2.gz JKTORGADKHBPGS-OAHLLOKOSA-N 1 3 310.432 4.098 20 0 DIADHO CCC[C@@H](CC)[N@@H+](Cc1ccc(F)c(F)c1)C1CCNCC1 ZINC001246954889 1059201066 /nfs/dbraw/zinc/20/10/66/1059201066.db2.gz JKTORGADKHBPGS-OAHLLOKOSA-N 1 3 310.432 4.098 20 0 DIADHO CCC[C@@H](CC)N(Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001246954889 1059201084 /nfs/dbraw/zinc/20/10/84/1059201084.db2.gz JKTORGADKHBPGS-OAHLLOKOSA-N 1 3 310.432 4.098 20 0 DIADHO CC[C@@H]1C[C@@H](N(Cc2ccccc2)C2CCC2)C[C@H](CC)[NH2+]1 ZINC001246959199 1059207316 /nfs/dbraw/zinc/20/73/16/1059207316.db2.gz FRROBWJPQQFZGJ-OPVJXMOQSA-N 1 3 300.490 4.350 20 0 DIADHO c1ccc(CN(C2CCC2)[C@@H]2CC[NH2+]C3(CCCCC3)C2)cc1 ZINC001246965928 1059210389 /nfs/dbraw/zinc/21/03/89/1059210389.db2.gz QZMLUJNHSNFEPR-HXUWFJFHSA-N 1 3 312.501 4.496 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001246971528 1059216316 /nfs/dbraw/zinc/21/63/16/1059216316.db2.gz HCOWBNBHOINWIP-TZIWHRDSSA-N 1 3 314.517 4.252 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001246971528 1059216333 /nfs/dbraw/zinc/21/63/33/1059216333.db2.gz HCOWBNBHOINWIP-TZIWHRDSSA-N 1 3 314.517 4.252 20 0 DIADHO c1ccc(CC[C@@H]2CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4)C2)cc1 ZINC001246981454 1059222538 /nfs/dbraw/zinc/22/25/38/1059222538.db2.gz WMEQOJVOLLOKPE-UWHLTILDSA-N 1 3 312.501 4.004 20 0 DIADHO c1ccc(CC[C@@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4)C2)cc1 ZINC001246981454 1059222557 /nfs/dbraw/zinc/22/25/57/1059222557.db2.gz WMEQOJVOLLOKPE-UWHLTILDSA-N 1 3 312.501 4.004 20 0 DIADHO CCc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC001559594115 1059428381 /nfs/dbraw/zinc/42/83/81/1059428381.db2.gz JKNMWNGOGKIIGM-DENIHFKCSA-N 1 3 322.496 4.318 20 0 DIADHO CCc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC001559594115 1059428395 /nfs/dbraw/zinc/42/83/95/1059428395.db2.gz JKNMWNGOGKIIGM-DENIHFKCSA-N 1 3 322.496 4.318 20 0 DIADHO Cc1ccc(CN2CCC(CCC[NH+](C)C)CC2)c(Cl)c1 ZINC001559655446 1059485028 /nfs/dbraw/zinc/48/50/28/1059485028.db2.gz XRXGYRSPMJVDLJ-UHFFFAOYSA-N 1 3 308.897 4.202 20 0 DIADHO C[C@H]1CC(CC[N@@H+]2CCN(c3ccncc3)[C@@H](C)C2)C[C@H](C)C1 ZINC001560109183 1059914437 /nfs/dbraw/zinc/91/44/37/1059914437.db2.gz VQZBYKQQUQNVBT-KURKYZTESA-N 1 3 315.505 4.055 20 0 DIADHO C[C@H]1CC(CC[N@H+]2CCN(c3ccncc3)[C@@H](C)C2)C[C@H](C)C1 ZINC001560109183 1059914457 /nfs/dbraw/zinc/91/44/57/1059914457.db2.gz VQZBYKQQUQNVBT-KURKYZTESA-N 1 3 315.505 4.055 20 0 DIADHO CC[NH+](CC)CCCN1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001560181251 1059969250 /nfs/dbraw/zinc/96/92/50/1059969250.db2.gz MKSRGCJYTIFXKD-LJQANCHMSA-N 1 3 302.506 4.234 20 0 DIADHO CCN(CC)CCC[N@@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001560181251 1059969262 /nfs/dbraw/zinc/96/92/62/1059969262.db2.gz MKSRGCJYTIFXKD-LJQANCHMSA-N 1 3 302.506 4.234 20 0 DIADHO CCN(CC)CCC[N@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001560181251 1059969277 /nfs/dbraw/zinc/96/92/77/1059969277.db2.gz MKSRGCJYTIFXKD-LJQANCHMSA-N 1 3 302.506 4.234 20 0 DIADHO C[C@H](CCc1ccccc1)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001560274794 1060048285 /nfs/dbraw/zinc/04/82/85/1060048285.db2.gz QARILXILFMRQAF-QGZVFWFLSA-N 1 3 302.506 4.108 20 0 DIADHO C[NH+](C)CC1CCN(Cc2sc(Cl)c3ccccc32)CC1 ZINC001249067129 1060143220 /nfs/dbraw/zinc/14/32/20/1060143220.db2.gz HKKJQNAQMCFNOG-UHFFFAOYSA-N 1 3 322.905 4.328 20 0 DIADHO c1ccc(-c2ccc(CNC[C@H]3CC[N@@H+]3C3CCCC3)cc2)cc1 ZINC001560553623 1060365408 /nfs/dbraw/zinc/36/54/08/1060365408.db2.gz NUZYLHCGOUTQCN-JOCHJYFZSA-N 1 3 320.480 4.460 20 0 DIADHO c1ccc(-c2ccc(CNC[C@H]3CC[N@H+]3C3CCCC3)cc2)cc1 ZINC001560553623 1060365429 /nfs/dbraw/zinc/36/54/29/1060365429.db2.gz NUZYLHCGOUTQCN-JOCHJYFZSA-N 1 3 320.480 4.460 20 0 DIADHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001560704052 1060561772 /nfs/dbraw/zinc/56/17/72/1060561772.db2.gz WFPCYNMBBPOMEU-BVJIBDCISA-N 1 3 312.501 4.065 20 0 DIADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC[C@@H](C)N2CCCCC2)cc1 ZINC001560751623 1060618076 /nfs/dbraw/zinc/61/80/76/1060618076.db2.gz USQQUGYIDDSGPQ-GIVPXCGWSA-N 1 3 314.517 4.485 20 0 DIADHO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C[C@@H](C)c1cccc(Cl)c1 ZINC001560948292 1060812433 /nfs/dbraw/zinc/81/24/33/1060812433.db2.gz SSHSTDNUBPMAMZ-MDZRGWNJSA-N 1 3 322.924 4.496 20 0 DIADHO C[C@H](CN(C)C)[C@@H]1CCCC[N@@H+]1C[C@@H](C)c1cccc(Cl)c1 ZINC001560948292 1060812457 /nfs/dbraw/zinc/81/24/57/1060812457.db2.gz SSHSTDNUBPMAMZ-MDZRGWNJSA-N 1 3 322.924 4.496 20 0 DIADHO C[C@H](CN(C)C)[C@@H]1CCCC[N@H+]1C[C@@H](C)c1cccc(Cl)c1 ZINC001560948292 1060812479 /nfs/dbraw/zinc/81/24/79/1060812479.db2.gz SSHSTDNUBPMAMZ-MDZRGWNJSA-N 1 3 322.924 4.496 20 0 DIADHO CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC001473219443 1060996338 /nfs/dbraw/zinc/99/63/38/1060996338.db2.gz HHFFIBDZTBYHTG-PWIZWCRZSA-N 1 3 300.490 4.287 20 0 DIADHO CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC001473219443 1060996346 /nfs/dbraw/zinc/99/63/46/1060996346.db2.gz HHFFIBDZTBYHTG-PWIZWCRZSA-N 1 3 300.490 4.287 20 0 DIADHO CN1CCCC[C@H](C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001462437871 1061174152 /nfs/dbraw/zinc/17/41/52/1061174152.db2.gz NMFAYMAKYXCDQD-SUMDDJOVSA-N 1 3 320.908 4.298 20 0 DIADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC(C)(C)C(C)(F)F)CC1 ZINC001462510425 1061221089 /nfs/dbraw/zinc/22/10/89/1061221089.db2.gz HCJDSZKWAQJRKA-HOCLYGCPSA-N 1 3 316.480 4.301 20 0 DIADHO CCC1(C)CCC(N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC001462587264 1061283086 /nfs/dbraw/zinc/28/30/86/1061283086.db2.gz GSLCAVWEJCUQFC-JLAWEPINSA-N 1 3 303.494 4.023 20 0 DIADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)Cc1coc2ccccc12 ZINC001462673292 1061332449 /nfs/dbraw/zinc/33/24/49/1061332449.db2.gz LYRDLIRHWJACHA-HZPDHXFCSA-N 1 3 302.462 4.074 20 0 DIADHO CCCC[N@H+](CCC1CCOCC1)C1CC(C)(C)NC(C)(C)C1 ZINC001473683126 1061339961 /nfs/dbraw/zinc/33/99/61/1061339961.db2.gz JSFCFCDTFUKAPQ-UHFFFAOYSA-N 1 3 324.553 4.214 20 0 DIADHO CCCC[N@@H+](CCC1CCOCC1)C1CC(C)(C)NC(C)(C)C1 ZINC001473683126 1061339976 /nfs/dbraw/zinc/33/99/76/1061339976.db2.gz JSFCFCDTFUKAPQ-UHFFFAOYSA-N 1 3 324.553 4.214 20 0 DIADHO Cc1cc(C)c(/C=C\C[NH2+]CCCN2CCCCC2)c(C)c1 ZINC001473917695 1061465925 /nfs/dbraw/zinc/46/59/25/1061465925.db2.gz MFKZZKVSINUWBB-CLFYSBASSA-N 1 3 300.490 4.091 20 0 DIADHO C[C@H]1C[C@H](C)CN(CCC[NH2+]C2CCC(C3CCC3)CC2)C1 ZINC001473935947 1061482762 /nfs/dbraw/zinc/48/27/62/1061482762.db2.gz RHKUAYOEUKQUGS-BEEJXANESA-N 1 3 306.538 4.303 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)C1 ZINC001473957224 1061499253 /nfs/dbraw/zinc/49/92/53/1061499253.db2.gz MZHMHMOZAJPPTJ-NRSPTQNISA-N 1 3 314.517 4.424 20 0 DIADHO C[N@@H+]1CC[C@H](N[C@@H](c2ccc(F)cc2)C(C)(C)C)CC1(C)C ZINC001473969400 1061511560 /nfs/dbraw/zinc/51/15/60/1061511560.db2.gz UGLOLDCEBBMIKT-IRXDYDNUSA-N 1 3 306.469 4.375 20 0 DIADHO C[N@H+]1CC[C@H](N[C@@H](c2ccc(F)cc2)C(C)(C)C)CC1(C)C ZINC001473969400 1061511574 /nfs/dbraw/zinc/51/15/74/1061511574.db2.gz UGLOLDCEBBMIKT-IRXDYDNUSA-N 1 3 306.469 4.375 20 0 DIADHO C[C@H]1CN(CCCC[NH2+]C2CC(C)(C)CC(C)(C)C2)C[C@H](C)O1 ZINC001474015931 1061556977 /nfs/dbraw/zinc/55/69/77/1061556977.db2.gz HNZPNMFSDXWHDX-IRXDYDNUSA-N 1 3 324.553 4.070 20 0 DIADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCC[C@H]1C1CC1 ZINC001474179887 1061726890 /nfs/dbraw/zinc/72/68/90/1061726890.db2.gz FRWIBQVILYYJLT-XLIONFOSSA-N 1 3 304.522 4.199 20 0 DIADHO CC[C@@H]([NH2+]C1CCN(CCC(C)C)CC1)c1ccc(F)cc1 ZINC001474387524 1062039660 /nfs/dbraw/zinc/03/96/60/1062039660.db2.gz SSPVDWCHWRLSIW-LJQANCHMSA-N 1 3 306.469 4.377 20 0 DIADHO CCC(CC)N1CCC([NH2+]C2CCc3ccccc3CC2)CC1 ZINC001254453817 1062113247 /nfs/dbraw/zinc/11/32/47/1062113247.db2.gz AKBNBWGXRIXPKI-UHFFFAOYSA-N 1 3 314.517 4.177 20 0 DIADHO Cc1cccc(CC[C@@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)c1 ZINC001474436985 1062115633 /nfs/dbraw/zinc/11/56/33/1062115633.db2.gz QVHDHKZRXWOJKG-RTBURBONSA-N 1 3 302.506 4.170 20 0 DIADHO C[N@@H+]1CCC[C@H](N[C@@H](CC2CCC2)c2cccc(F)c2)CC1 ZINC001254509966 1062149786 /nfs/dbraw/zinc/14/97/86/1062149786.db2.gz KSVWVYLXWFYKJX-OALUTQOASA-N 1 3 304.453 4.131 20 0 DIADHO C[N@H+]1CCC[C@H](N[C@@H](CC2CCC2)c2cccc(F)c2)CC1 ZINC001254509966 1062149795 /nfs/dbraw/zinc/14/97/95/1062149795.db2.gz KSVWVYLXWFYKJX-OALUTQOASA-N 1 3 304.453 4.131 20 0 DIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H](C3CC3)C3CCC3)CC2)C1 ZINC001474564709 1062269646 /nfs/dbraw/zinc/26/96/46/1062269646.db2.gz MMUHAPYDSFLKHV-UIAACRFSSA-N 1 3 304.522 4.198 20 0 DIADHO C[C@]1(F)CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255137439 1062325836 /nfs/dbraw/zinc/32/58/36/1062325836.db2.gz RVBHBZSFBCSNFC-YRPNKDGESA-N 1 3 316.464 4.006 20 0 DIADHO C[C@]1(F)CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255137439 1062325856 /nfs/dbraw/zinc/32/58/56/1062325856.db2.gz RVBHBZSFBCSNFC-YRPNKDGESA-N 1 3 316.464 4.006 20 0 DIADHO CC(C)c1cccc(CN2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001474646495 1062369947 /nfs/dbraw/zinc/36/99/47/1062369947.db2.gz FCSDZBFJXCISHA-PXNSSMCTSA-N 1 3 302.506 4.362 20 0 DIADHO Cc1oc(C(C)(C)C)cc1C[N@H+]1CCCC[C@H]1[C@H](C)CN(C)C ZINC001474647167 1062373782 /nfs/dbraw/zinc/37/37/82/1062373782.db2.gz IEQBISBEOCZNGB-QAPCUYQASA-N 1 3 320.521 4.438 20 0 DIADHO Cc1oc(C(C)(C)C)cc1C[N@@H+]1CCCC[C@H]1[C@H](C)CN(C)C ZINC001474647167 1062373806 /nfs/dbraw/zinc/37/38/06/1062373806.db2.gz IEQBISBEOCZNGB-QAPCUYQASA-N 1 3 320.521 4.438 20 0 DIADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC(C)(C)C(C)(F)F)CC2)C1 ZINC001474669270 1062397749 /nfs/dbraw/zinc/39/77/49/1062397749.db2.gz XYJOYSPYVDBNHU-GDBMZVCRSA-N 1 3 316.480 4.301 20 0 DIADHO Cc1ccc(CN[C@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255375131 1062419160 /nfs/dbraw/zinc/41/91/60/1062419160.db2.gz DCEGGBFSFBKLRQ-NRFANRHFSA-N 1 3 308.469 4.139 20 0 DIADHO Cc1ccc(CN[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255375131 1062419171 /nfs/dbraw/zinc/41/91/71/1062419171.db2.gz DCEGGBFSFBKLRQ-NRFANRHFSA-N 1 3 308.469 4.139 20 0 DIADHO Cc1cccc(CN[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC001255379917 1062423240 /nfs/dbraw/zinc/42/32/40/1062423240.db2.gz YMJGKAABWRCFIR-OAQYLSRUSA-N 1 3 308.469 4.139 20 0 DIADHO Cc1cccc(CN[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255379917 1062423257 /nfs/dbraw/zinc/42/32/57/1062423257.db2.gz YMJGKAABWRCFIR-OAQYLSRUSA-N 1 3 308.469 4.139 20 0 DIADHO CC[C@H](N[C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC001255392496 1062427054 /nfs/dbraw/zinc/42/70/54/1062427054.db2.gz FMRABEGNBSRIAD-SFTDATJTSA-N 1 3 323.484 4.177 20 0 DIADHO CC[C@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC001255392496 1062427070 /nfs/dbraw/zinc/42/70/70/1062427070.db2.gz FMRABEGNBSRIAD-SFTDATJTSA-N 1 3 323.484 4.177 20 0 DIADHO c1ccc(CN2CCC[C@@H]([NH+]3CC(c4ccccc4)C3)CC2)cc1 ZINC001255408516 1062440002 /nfs/dbraw/zinc/44/00/02/1062440002.db2.gz MYPFYADVJXFCOJ-JOCHJYFZSA-N 1 3 320.480 4.141 20 0 DIADHO c1ccc(CN2CCC[C@H]([N@@H+]3CCC[C@@H]4CCC[C@H]43)CC2)cc1 ZINC001255406428 1062442424 /nfs/dbraw/zinc/44/24/24/1062442424.db2.gz SECADTOPSXUCLP-PCCBWWKXSA-N 1 3 312.501 4.306 20 0 DIADHO c1ccc(CN2CCC[C@H]([N@H+]3CCC[C@@H]4CCC[C@H]43)CC2)cc1 ZINC001255406428 1062442431 /nfs/dbraw/zinc/44/24/31/1062442431.db2.gz SECADTOPSXUCLP-PCCBWWKXSA-N 1 3 312.501 4.306 20 0 DIADHO CCC[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC001255670364 1062511390 /nfs/dbraw/zinc/51/13/90/1062511390.db2.gz QKRZEFKLZPIEJJ-IPQPSQTFSA-N 1 3 304.453 4.272 20 0 DIADHO CCC[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001255670364 1062511412 /nfs/dbraw/zinc/51/14/12/1062511412.db2.gz QKRZEFKLZPIEJJ-IPQPSQTFSA-N 1 3 304.453 4.272 20 0 DIADHO [NH3+]C1(CC2CCC2)CCN([C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001255699568 1062527416 /nfs/dbraw/zinc/52/74/16/1062527416.db2.gz KGBKRYVYEQCFFW-LSDHHAIUSA-N 1 3 318.427 4.091 20 0 DIADHO CCC(CC)N1CCC([NH2+][C@@H](C)Cc2ccc(C)cc2)CC1 ZINC001255782030 1062602522 /nfs/dbraw/zinc/60/25/22/1062602522.db2.gz UZAQOIZTOKKOSR-KRWDZBQOSA-N 1 3 302.506 4.169 20 0 DIADHO Cc1ccc(C[C@@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC001255781780 1062603272 /nfs/dbraw/zinc/60/32/72/1062603272.db2.gz REGZMTOVFHMNMT-GOSISDBHSA-N 1 3 314.517 4.313 20 0 DIADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC001255948235 1062669265 /nfs/dbraw/zinc/66/92/65/1062669265.db2.gz HXCKBLROTRZNFR-BEFAXECRSA-N 1 3 306.469 4.377 20 0 DIADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001256108677 1062709715 /nfs/dbraw/zinc/70/97/15/1062709715.db2.gz FEQJBWHUDXIKOI-ZGXWSNOMSA-N 1 3 300.490 4.175 20 0 DIADHO CC(C)CC[C@@H](C)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001256367968 1062791518 /nfs/dbraw/zinc/79/15/18/1062791518.db2.gz KQGNZMPNQNISLF-GOSISDBHSA-N 1 3 302.506 4.408 20 0 DIADHO CC(C)CC[C@@H](C)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001256367968 1062791542 /nfs/dbraw/zinc/79/15/42/1062791542.db2.gz KQGNZMPNQNISLF-GOSISDBHSA-N 1 3 302.506 4.408 20 0 DIADHO CC(C)CC[C@@H](C)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001256370365 1062791655 /nfs/dbraw/zinc/79/16/55/1062791655.db2.gz ICQGUQZMKZBANC-LJQANCHMSA-N 1 3 314.517 4.409 20 0 DIADHO CC[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(F)c(C)c1 ZINC001256565968 1062888316 /nfs/dbraw/zinc/88/83/16/1062888316.db2.gz HNJSMOFTXPFZSX-SFHVURJKSA-N 1 3 306.469 4.438 20 0 DIADHO CC(C)(C)N1CCC([NH2+]Cc2ccccc2-c2cccnc2)CC1 ZINC001256563587 1062889322 /nfs/dbraw/zinc/88/93/22/1062889322.db2.gz GAVUHKBPAUOXOA-UHFFFAOYSA-N 1 3 323.484 4.101 20 0 DIADHO CC(C)(C)N1CCC([NH2+]CC2(Cc3ccccc3F)CC2)CC1 ZINC001256566600 1062891247 /nfs/dbraw/zinc/89/12/47/1062891247.db2.gz JCXMESUJDZUDPZ-UHFFFAOYSA-N 1 3 318.480 4.001 20 0 DIADHO CC(C)N1CCC([NH2+]Cc2ccccc2Oc2ccccc2)CC1 ZINC001257205318 1063137752 /nfs/dbraw/zinc/13/77/52/1063137752.db2.gz JBNITWGJMXKLDY-UHFFFAOYSA-N 1 3 324.468 4.441 20 0 DIADHO CCC[C@H](C)N1CCC([NH3+])(c2ccc(C(F)(F)F)cc2)CC1 ZINC001257310990 1063196944 /nfs/dbraw/zinc/19/69/44/1063196944.db2.gz HJXCXIFWBQJESZ-ZDUSSCGKSA-N 1 3 314.395 4.144 20 0 DIADHO CCN1CCC[C@@H](C[NH2+]Cc2cccc(C3CCCC3)c2)C1 ZINC001461120782 1063271277 /nfs/dbraw/zinc/27/12/77/1063271277.db2.gz LCIYNWLFCLEEEA-SFHVURJKSA-N 1 3 300.490 4.166 20 0 DIADHO CC(C)CN1CCC[C@@H](C[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC001461372324 1063455492 /nfs/dbraw/zinc/45/54/92/1063455492.db2.gz CNEMZIZYJIGOJZ-SFHVURJKSA-N 1 3 306.538 4.447 20 0 DIADHO CC(C)CN1CCC([NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC001258007223 1063462319 /nfs/dbraw/zinc/46/23/19/1063462319.db2.gz RTYJNDQDBXDOCH-SFHVURJKSA-N 1 3 306.881 4.037 20 0 DIADHO CC(C)CN1CCC([N@@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001258011420 1063463418 /nfs/dbraw/zinc/46/34/18/1063463418.db2.gz MUELXIWRIIANLJ-IBGZPJMESA-N 1 3 304.453 4.083 20 0 DIADHO CC(C)CN1CCC([N@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001258011420 1063463430 /nfs/dbraw/zinc/46/34/30/1063463430.db2.gz MUELXIWRIIANLJ-IBGZPJMESA-N 1 3 304.453 4.083 20 0 DIADHO CC(C)CN1CCC([N@@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001258011423 1063464441 /nfs/dbraw/zinc/46/44/41/1063464441.db2.gz MUELXIWRIIANLJ-LJQANCHMSA-N 1 3 304.453 4.083 20 0 DIADHO CC(C)CN1CCC([N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001258011423 1063464450 /nfs/dbraw/zinc/46/44/50/1063464450.db2.gz MUELXIWRIIANLJ-LJQANCHMSA-N 1 3 304.453 4.083 20 0 DIADHO CC[C@H]1c2ccccc2CCN1C1CC[NH+](CC(C)C)CC1 ZINC001258017362 1063466476 /nfs/dbraw/zinc/46/64/76/1063466476.db2.gz FZKDZDRXPBLJMI-FQEVSTJZSA-N 1 3 300.490 4.116 20 0 DIADHO CC(C)C[C@H](C)C[C@H](C)N1CCC([NH3+])(c2ccccc2)CC1 ZINC001258062479 1063489826 /nfs/dbraw/zinc/48/98/26/1063489826.db2.gz QARAUKZBWXUAJW-ROUUACIJSA-N 1 3 302.506 4.397 20 0 DIADHO CC(C)C[C@H](C)C[C@@H](C)N1CCC([NH3+])(c2ccccc2)CC1 ZINC001258062481 1063491524 /nfs/dbraw/zinc/49/15/24/1063491524.db2.gz QARAUKZBWXUAJW-ZWKOTPCHSA-N 1 3 302.506 4.397 20 0 DIADHO C[C@H]1C[C@H]([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)C[C@@H](C)C1 ZINC001258162686 1063538124 /nfs/dbraw/zinc/53/81/24/1063538124.db2.gz KLGGPXFRELXCEX-RMJJICAUSA-N 1 3 304.522 4.221 20 0 DIADHO CC1(C)CCC[C@@H]([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)C1 ZINC001258281827 1063583645 /nfs/dbraw/zinc/58/36/45/1063583645.db2.gz BXGRGDJTPMYPBA-PKOBYXMFSA-N 1 3 304.522 4.366 20 0 DIADHO C[C@@H](CC(C)(C)SCc1ccco1)[NH2+]CCCN1CCCC1 ZINC001258298342 1063595429 /nfs/dbraw/zinc/59/54/29/1063595429.db2.gz LGRMTALPMJMRMM-INIZCTEOSA-N 1 3 324.534 4.146 20 0 DIADHO CCC(CC)N1CCC([NH2+][C@H](C)CC(C)(C)SC)CC1 ZINC001258328463 1063613415 /nfs/dbraw/zinc/61/34/15/1063613415.db2.gz VYYYCNCTMQUIRK-CQSZACIVSA-N 1 3 300.556 4.149 20 0 DIADHO CCCCC[C@H](CCC)[NH+]1CCC(N)(Cc2cccnc2)CC1 ZINC001258666332 1063732316 /nfs/dbraw/zinc/73/23/16/1063732316.db2.gz GTFUAXLOULOZKV-IBGZPJMESA-N 1 3 317.521 4.166 20 0 DIADHO CCCCC[C@H](CCC)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001258667669 1063735271 /nfs/dbraw/zinc/73/52/71/1063735271.db2.gz RBCIIEBGVOXPEJ-IBGZPJMESA-N 1 3 324.553 4.216 20 0 DIADHO CCN(CC)CC[C@H]([NH2+][C@@H]1CCC[C@@H](OC)C1)c1ccccc1 ZINC001461823788 1063736747 /nfs/dbraw/zinc/73/67/47/1063736747.db2.gz FYQNXWDTYFVOOE-AQNXPRMDSA-N 1 3 318.505 4.007 20 0 DIADHO CCCC[C@H](Cc1ccccc1)N1CCC([N@H+](C)CC)CC1 ZINC001258711382 1063768314 /nfs/dbraw/zinc/76/83/14/1063768314.db2.gz AELHKMWFHVKQJX-HXUWFJFHSA-N 1 3 302.506 4.204 20 0 DIADHO CCCC[C@H](Cc1ccccc1)N1CCC([N@@H+](C)CC)CC1 ZINC001258711382 1063768321 /nfs/dbraw/zinc/76/83/21/1063768321.db2.gz AELHKMWFHVKQJX-HXUWFJFHSA-N 1 3 302.506 4.204 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[NH+]1CCC(N(C)CC)CC1 ZINC001258711382 1063768327 /nfs/dbraw/zinc/76/83/27/1063768327.db2.gz AELHKMWFHVKQJX-HXUWFJFHSA-N 1 3 302.506 4.204 20 0 DIADHO CCCC[C@H](CCC)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001258756150 1063802694 /nfs/dbraw/zinc/80/26/94/1063802694.db2.gz JHCWWOOYIXDPFH-FQEVSTJZSA-N 1 3 317.521 4.242 20 0 DIADHO CCCC[C@@H](CCC)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001258756151 1063803268 /nfs/dbraw/zinc/80/32/68/1063803268.db2.gz JHCWWOOYIXDPFH-HXUWFJFHSA-N 1 3 317.521 4.242 20 0 DIADHO C[C@@H](c1nccc2ccccc21)[N@H+](C)CC[C@H]1CCCCN1C ZINC001461921454 1063804287 /nfs/dbraw/zinc/80/42/87/1063804287.db2.gz OTHUZALDSIHHEE-FUHWJXTLSA-N 1 3 311.473 4.102 20 0 DIADHO C[C@@H](c1nccc2ccccc21)[N@@H+](C)CC[C@H]1CCCCN1C ZINC001461921454 1063804303 /nfs/dbraw/zinc/80/43/03/1063804303.db2.gz OTHUZALDSIHHEE-FUHWJXTLSA-N 1 3 311.473 4.102 20 0 DIADHO CC[C@@H](C)C[C@@H](CC)[NH+]1CCC(N)(Cc2ccc(F)cc2)CC1 ZINC001258786055 1063823139 /nfs/dbraw/zinc/82/31/39/1063823139.db2.gz JZZWMIWVGUSECO-VQIMIIECSA-N 1 3 320.496 4.376 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)N1CCc2ccc(Cl)cc2C1 ZINC001258907910 1063880186 /nfs/dbraw/zinc/88/01/86/1063880186.db2.gz OCHAGTIKFIMJEL-HNNXBMFYSA-N 1 3 308.897 4.209 20 0 DIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(O)cc1 ZINC000379632713 1063984766 /nfs/dbraw/zinc/98/47/66/1063984766.db2.gz NXWSTYVOOKDHRQ-UWVAXJGDSA-N 1 3 324.468 4.096 20 0 DIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(O)cc1 ZINC000379632713 1063984778 /nfs/dbraw/zinc/98/47/78/1063984778.db2.gz NXWSTYVOOKDHRQ-UWVAXJGDSA-N 1 3 324.468 4.096 20 0 DIADHO Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1 ZINC000379637581 1063985781 /nfs/dbraw/zinc/98/57/81/1063985781.db2.gz SMXOWCWZQJJGMJ-SIKLNZKXSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1 ZINC000379637581 1063985784 /nfs/dbraw/zinc/98/57/84/1063985784.db2.gz SMXOWCWZQJJGMJ-SIKLNZKXSA-N 1 3 322.496 4.446 20 0 DIADHO CCC[C@H](CC)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000381310635 1063991703 /nfs/dbraw/zinc/99/17/03/1063991703.db2.gz NROZXSNYZUWQOG-IYWMVGAKSA-N 1 3 300.490 4.065 20 0 DIADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000381810947 1063994058 /nfs/dbraw/zinc/99/40/58/1063994058.db2.gz ZSOFQPQFINGWNB-QNDFHXLGSA-N 1 3 312.501 4.065 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000393370778 1064275046 /nfs/dbraw/zinc/27/50/46/1064275046.db2.gz MCDQVLDFLBUTSY-LJQANCHMSA-N 1 3 300.490 4.307 20 0 DIADHO CC(C)(C)[NH+]1CCC(N[C@@H]2CCCCc3ccccc32)CC1 ZINC000393370778 1064275056 /nfs/dbraw/zinc/27/50/56/1064275056.db2.gz MCDQVLDFLBUTSY-LJQANCHMSA-N 1 3 300.490 4.307 20 0 DIADHO CC1=C[C@@H](C)[C@H](C[N@@H+]2CC[C@H]3[C@@H]2CCN3C2CCCC2)CC1 ZINC001279490968 1064353210 /nfs/dbraw/zinc/35/32/10/1064353210.db2.gz VUAXIHWBSDIXLN-UMGGQSCQSA-N 1 3 302.506 4.070 20 0 DIADHO CC1=C[C@@H](C)[C@H](C[N@H+]2CC[C@H]3[C@@H]2CCN3C2CCCC2)CC1 ZINC001279490968 1064353218 /nfs/dbraw/zinc/35/32/18/1064353218.db2.gz VUAXIHWBSDIXLN-UMGGQSCQSA-N 1 3 302.506 4.070 20 0 DIADHO CC1=C[C@@H](C)[C@@H](C[N@@H+]2CC[C@H]3[C@@H]2CCN3C2CCCC2)CC1 ZINC001279490967 1064353637 /nfs/dbraw/zinc/35/36/37/1064353637.db2.gz VUAXIHWBSDIXLN-JYBIWHBTSA-N 1 3 302.506 4.070 20 0 DIADHO CC1=C[C@@H](C)[C@@H](C[N@H+]2CC[C@H]3[C@@H]2CCN3C2CCCC2)CC1 ZINC001279490967 1064353649 /nfs/dbraw/zinc/35/36/49/1064353649.db2.gz VUAXIHWBSDIXLN-JYBIWHBTSA-N 1 3 302.506 4.070 20 0 DIADHO CCCC[C@H](CC)CN1CC2(C1)CCC[N@H+](CCOC(C)C)C2 ZINC001280081504 1064380520 /nfs/dbraw/zinc/38/05/20/1064380520.db2.gz SKKNNTFINURTPH-IBGZPJMESA-N 1 3 324.553 4.026 20 0 DIADHO CCCC[C@H](CC)CN1CC2(C1)CCC[N@@H+](CCOC(C)C)C2 ZINC001280081504 1064380528 /nfs/dbraw/zinc/38/05/28/1064380528.db2.gz SKKNNTFINURTPH-IBGZPJMESA-N 1 3 324.553 4.026 20 0 DIADHO CC1CC[NH+](C[C@H]2CCCN(CCC3=CCCCC3)C2)CC1 ZINC001307439896 1065399025 /nfs/dbraw/zinc/39/90/25/1065399025.db2.gz CEAIFGPMYYIRTD-FQEVSTJZSA-N 1 3 304.522 4.321 20 0 DIADHO CCN(CC)CCC[N@H+](CCc1ccccc1)C1CCCC1 ZINC001307458027 1065412499 /nfs/dbraw/zinc/41/24/99/1065412499.db2.gz MWFOOQCICMQWSN-UHFFFAOYSA-N 1 3 302.506 4.206 20 0 DIADHO CCN(CC)CCC[N@@H+](CCc1ccccc1)C1CCCC1 ZINC001307458027 1065412501 /nfs/dbraw/zinc/41/25/01/1065412501.db2.gz MWFOOQCICMQWSN-UHFFFAOYSA-N 1 3 302.506 4.206 20 0 DIADHO Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)c(C)c1 ZINC001307524794 1065463015 /nfs/dbraw/zinc/46/30/15/1065463015.db2.gz ZUJFNALSTLCEBI-OTWHNJEPSA-N 1 3 300.490 4.089 20 0 DIADHO Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)c(C)c1 ZINC001307524794 1065463020 /nfs/dbraw/zinc/46/30/20/1065463020.db2.gz ZUJFNALSTLCEBI-OTWHNJEPSA-N 1 3 300.490 4.089 20 0 DIADHO C[C@@H]([NH2+]CC1CCC2(CC2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC001307670760 1065553017 /nfs/dbraw/zinc/55/30/17/1065553017.db2.gz SYQCNGBCJFUODY-SJLPKXTDSA-N 1 3 304.522 4.199 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@H]2C[C@H](c3ccccc3)C[C@H](C)C2)C1 ZINC001308225220 1065831885 /nfs/dbraw/zinc/83/18/85/1065831885.db2.gz OHOVEAMLBNWPSN-UYWIDEMCSA-N 1 3 314.517 4.280 20 0 DIADHO Fc1ccc(Cl)cc1CNCCCCC[NH+]1CCCCC1 ZINC001308247508 1065851852 /nfs/dbraw/zinc/85/18/52/1065851852.db2.gz RBJLXIYXAMUUDW-UHFFFAOYSA-N 1 3 312.860 4.225 20 0 DIADHO CN(C)CC1(C[NH2+]Cc2ccc(Cl)c(Cl)c2)CCCC1 ZINC001308365482 1065943672 /nfs/dbraw/zinc/94/36/72/1065943672.db2.gz DZCBUBPEBKCWNS-UHFFFAOYSA-N 1 3 315.288 4.205 20 0 DIADHO CC1=CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001308636140 1066130520 /nfs/dbraw/zinc/13/05/20/1066130520.db2.gz UGQHBTQYYXCXFM-FNAHDJPLSA-N 1 3 324.512 4.376 20 0 DIADHO CC(C)CCN1CCC([NH2+]CCCc2cccc(Cl)c2)CC1 ZINC001308731792 1066206631 /nfs/dbraw/zinc/20/66/31/1066206631.db2.gz PBBQXLXJKGLLBK-UHFFFAOYSA-N 1 3 322.924 4.373 20 0 DIADHO CC/C=C/CNC[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001308782451 1066254354 /nfs/dbraw/zinc/25/43/54/1066254354.db2.gz NYQMHSHHLIXBOZ-VMLCMGRWSA-N 1 3 314.517 4.481 20 0 DIADHO CC/C=C/CNC[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001308782451 1066254357 /nfs/dbraw/zinc/25/43/57/1066254357.db2.gz NYQMHSHHLIXBOZ-VMLCMGRWSA-N 1 3 314.517 4.481 20 0 DIADHO CC/C=C/C[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001308782451 1066254366 /nfs/dbraw/zinc/25/43/66/1066254366.db2.gz NYQMHSHHLIXBOZ-VMLCMGRWSA-N 1 3 314.517 4.481 20 0 DIADHO c1ccc(CN2CCCC[C@H](C[NH2+][C@@H]3CC[C@H]3C3CC3)C2)cc1 ZINC001308803496 1066279302 /nfs/dbraw/zinc/27/93/02/1066279302.db2.gz VXMJHOJVYDNSKX-HLAWJBBLSA-N 1 3 312.501 4.067 20 0 DIADHO C[C@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3C[C@H]3CC(C)(C)C)CC2)C1 ZINC001308853187 1066332394 /nfs/dbraw/zinc/33/23/94/1066332394.db2.gz YTNAVOLSJUUZHJ-RNIPGJKVSA-N 1 3 306.538 4.444 20 0 DIADHO C[NH+](C)CC[C@@H](N[C@H]1CCCC12CCCCC2)c1cccnc1 ZINC001308947525 1066413725 /nfs/dbraw/zinc/41/37/25/1066413725.db2.gz GBGFVPQXYWKRFI-MOPGFXCFSA-N 1 3 315.505 4.167 20 0 DIADHO CCN(CC)CC[C@H]([NH2+][C@H]1CC[C@@H]1C(C)C)c1ccccc1 ZINC001308981803 1066431652 /nfs/dbraw/zinc/43/16/52/1066431652.db2.gz MXAKAMVKRNBHRF-AABGKKOBSA-N 1 3 302.506 4.484 20 0 DIADHO CC[NH+](CC)Cc1ccc(CNCc2cccc3[nH]ccc32)cc1 ZINC000236935093 202078235 /nfs/dbraw/zinc/07/82/35/202078235.db2.gz SMPOFEVTIPHPBC-UHFFFAOYSA-N 1 3 321.468 4.300 20 0 DIADHO Cc1ccc([C@H](C)[NH2+]CC2CCN(c3ccncc3)CC2)s1 ZINC000089215109 192742857 /nfs/dbraw/zinc/74/28/57/192742857.db2.gz XWVCDIJWVZBFGW-HNNXBMFYSA-N 1 3 315.486 4.019 20 0 DIADHO Cc1ccc2cc([C@@H](C)NCCC3CC[NH+](C)CC3)oc2c1 ZINC000426037829 335040557 /nfs/dbraw/zinc/04/05/57/335040557.db2.gz VCSIKRDYHYWPTJ-OAHLLOKOSA-N 1 3 300.446 4.124 20 0 DIADHO C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152382595 335043519 /nfs/dbraw/zinc/04/35/19/335043519.db2.gz FRQWAPDAIXZARS-UONOGXRCSA-N 1 3 314.395 4.040 20 0 DIADHO C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152382595 335043521 /nfs/dbraw/zinc/04/35/21/335043521.db2.gz FRQWAPDAIXZARS-UONOGXRCSA-N 1 3 314.395 4.040 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCCc3ccc(O)cc32)c1 ZINC000284133193 131051585 /nfs/dbraw/zinc/05/15/85/131051585.db2.gz OHXYDCNDRRUELU-OAQYLSRUSA-N 1 3 324.468 4.011 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCCc3ccc(O)cc32)c1 ZINC000284133193 131051587 /nfs/dbraw/zinc/05/15/87/131051587.db2.gz OHXYDCNDRRUELU-OAQYLSRUSA-N 1 3 324.468 4.011 20 0 DIADHO Cc1cc([C@H](C)[NH2+]C2CCN(c3ccncc3)CC2)c(C)s1 ZINC000298484431 132065399 /nfs/dbraw/zinc/06/53/99/132065399.db2.gz PONCRQSNQPAEQV-AWEZNQCLSA-N 1 3 315.486 4.080 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCCC12CCCC2 ZINC000564823049 331753772 /nfs/dbraw/zinc/75/37/72/331753772.db2.gz WWCDTHSTKBNADB-YJBOKZPZSA-N 1 3 301.478 4.002 20 0 DIADHO FC(F)(F)C1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000262066728 331958781 /nfs/dbraw/zinc/95/87/81/331958781.db2.gz FPDRGYASNISXDN-SVXVCFNTSA-N 1 3 318.427 4.008 20 0 DIADHO CC(C)(C)N1CCC([NH2+]CC2CC(c3ccccc3)C2)CC1 ZINC000558975585 331963162 /nfs/dbraw/zinc/96/31/62/331963162.db2.gz XBVZKRCYIYCPNM-UHFFFAOYSA-N 1 3 300.490 4.033 20 0 DIADHO CC[C@@H](CC(F)(F)F)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000569535855 332128395 /nfs/dbraw/zinc/12/83/95/332128395.db2.gz UHEBQSDRXRQIOE-ZDUSSCGKSA-N 1 3 306.416 4.104 20 0 DIADHO c1csc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000564655648 332132419 /nfs/dbraw/zinc/13/24/19/332132419.db2.gz NZLXXVSMWNYJBV-KRWDZBQOSA-N 1 3 312.482 4.035 20 0 DIADHO c1csc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000564655648 332132420 /nfs/dbraw/zinc/13/24/20/332132420.db2.gz NZLXXVSMWNYJBV-KRWDZBQOSA-N 1 3 312.482 4.035 20 0 DIADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c2ccccc21 ZINC000559740336 332278325 /nfs/dbraw/zinc/27/83/25/332278325.db2.gz OJEBHKTWBDNSEI-CABCVRRESA-N 1 3 312.432 4.114 20 0 DIADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c2ccccc21 ZINC000559740336 332278327 /nfs/dbraw/zinc/27/83/27/332278327.db2.gz OJEBHKTWBDNSEI-CABCVRRESA-N 1 3 312.432 4.114 20 0 DIADHO COc1ccc(Cl)cc1[C@H](C)NCCCCC[NH+]1CCCC1 ZINC000559891287 332289906 /nfs/dbraw/zinc/28/99/06/332289906.db2.gz OWYAWMCLKMKBGY-HNNXBMFYSA-N 1 3 324.896 4.265 20 0 DIADHO C[NH+](C)CCCC(C)(C)NCc1csc(-c2ccsc2)n1 ZINC000449526176 332357567 /nfs/dbraw/zinc/35/75/67/332357567.db2.gz DAARSKWVXMPMTO-UHFFFAOYSA-N 1 3 323.531 4.082 20 0 DIADHO NC[C@@H]1C[N@H+](Cc2cccc3ccccc32)C[C@H]1c1ccccc1 ZINC000261799329 332379303 /nfs/dbraw/zinc/37/93/03/332379303.db2.gz QTWRPERMFHWDEB-IRLDBZIGSA-N 1 3 316.448 4.014 20 0 DIADHO NC[C@@H]1C[N@@H+](Cc2cccc3ccccc32)C[C@H]1c1ccccc1 ZINC000261799329 332379304 /nfs/dbraw/zinc/37/93/04/332379304.db2.gz QTWRPERMFHWDEB-IRLDBZIGSA-N 1 3 316.448 4.014 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CNC/C=C\c1ccccc1 ZINC000518770448 333071438 /nfs/dbraw/zinc/07/14/38/333071438.db2.gz LKITZQFNAPOEAQ-RAXLEYEMSA-N 1 3 308.469 4.331 20 0 DIADHO C[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C1CCC1 ZINC000379037408 333098484 /nfs/dbraw/zinc/09/84/84/333098484.db2.gz DDDUOQBLCXTERI-HKUYNNGSSA-N 1 3 300.490 4.067 20 0 DIADHO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000537936711 333111661 /nfs/dbraw/zinc/11/16/61/333111661.db2.gz DYXOCCVBNVZQRE-WOJBJXKFSA-N 1 3 315.505 4.102 20 0 DIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)c2ccsc2)c1 ZINC000177979695 333133977 /nfs/dbraw/zinc/13/39/77/333133977.db2.gz WEHAUUOVBDJBRS-OAHLLOKOSA-N 1 3 302.487 4.439 20 0 DIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccsc2)c1 ZINC000177979695 333133979 /nfs/dbraw/zinc/13/39/79/333133979.db2.gz WEHAUUOVBDJBRS-OAHLLOKOSA-N 1 3 302.487 4.439 20 0 DIADHO CCC[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccn1 ZINC000500645294 333251746 /nfs/dbraw/zinc/25/17/46/333251746.db2.gz CLWFLRPPHCXRJA-OTWHNJEPSA-N 1 3 317.521 4.271 20 0 DIADHO CCC[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccn1 ZINC000500645294 333251748 /nfs/dbraw/zinc/25/17/48/333251748.db2.gz CLWFLRPPHCXRJA-OTWHNJEPSA-N 1 3 317.521 4.271 20 0 DIADHO CCC[C@H](NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccn1 ZINC000500645292 333251751 /nfs/dbraw/zinc/25/17/51/333251751.db2.gz CLWFLRPPHCXRJA-FHWLQOOXSA-N 1 3 317.521 4.271 20 0 DIADHO CC(C)[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccc(F)cn1 ZINC000497850380 333301030 /nfs/dbraw/zinc/30/10/30/333301030.db2.gz ZDQDBMKTIKRGCS-APWZRJJASA-N 1 3 321.484 4.162 20 0 DIADHO CC(C)[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccc(F)cn1 ZINC000497850380 333301031 /nfs/dbraw/zinc/30/10/31/333301031.db2.gz ZDQDBMKTIKRGCS-APWZRJJASA-N 1 3 321.484 4.162 20 0 DIADHO C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000525787121 333313456 /nfs/dbraw/zinc/31/34/56/333313456.db2.gz OJVACZQPIQVZBV-MSOLQXFVSA-N 1 3 308.469 4.319 20 0 DIADHO C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000525787121 333313457 /nfs/dbraw/zinc/31/34/57/333313457.db2.gz OJVACZQPIQVZBV-MSOLQXFVSA-N 1 3 308.469 4.319 20 0 DIADHO C[C@H](c1cccc2ccccc21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000525787121 333313458 /nfs/dbraw/zinc/31/34/58/333313458.db2.gz OJVACZQPIQVZBV-MSOLQXFVSA-N 1 3 308.469 4.319 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCc3ccc(C)cc32)c1 ZINC000123964361 333340063 /nfs/dbraw/zinc/34/00/63/333340063.db2.gz RBGZCSCOZDWXRY-OAQYLSRUSA-N 1 3 308.469 4.224 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCc3ccc(C)cc32)c1 ZINC000123964361 333340065 /nfs/dbraw/zinc/34/00/65/333340065.db2.gz RBGZCSCOZDWXRY-OAQYLSRUSA-N 1 3 308.469 4.224 20 0 DIADHO CCc1ccc(CNCc2ccccc2C[NH+](CC)CC)cc1 ZINC000319870722 333413852 /nfs/dbraw/zinc/41/38/52/333413852.db2.gz TVPKQBHYLIWGOR-UHFFFAOYSA-N 1 3 310.485 4.381 20 0 DIADHO CC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc(C)cc1 ZINC000320113672 333425821 /nfs/dbraw/zinc/42/58/21/333425821.db2.gz RPISRPJXTWRDLD-FQEVSTJZSA-N 1 3 309.457 4.100 20 0 DIADHO C[C@@H](C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)CC(F)(F)F ZINC000414284094 333933363 /nfs/dbraw/zinc/93/33/63/333933363.db2.gz QBZBDTZZUHRCLO-FMKPAKJESA-N 1 3 320.443 4.208 20 0 DIADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(C(F)(F)F)s2)cc1 ZINC000414808216 334104574 /nfs/dbraw/zinc/10/45/74/334104574.db2.gz DUATXHPGTGEKFO-JTQLQIEISA-N 1 3 314.376 4.076 20 0 DIADHO Cc1cc(C(F)(F)F)ccc1CNCc1ccc([C@H](C)[NH3+])cc1 ZINC000414815249 334106423 /nfs/dbraw/zinc/10/64/23/334106423.db2.gz OWZWGHXZHXSRKZ-ZDUSSCGKSA-N 1 3 322.374 4.323 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CNCc2cccc(OC3CCCC3)c2)cc1 ZINC000414815677 334106667 /nfs/dbraw/zinc/10/66/67/334106667.db2.gz YCRCBGKXQVHMTF-MRXNPFEDSA-N 1 3 324.468 4.318 20 0 DIADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1 ZINC000414815664 334106751 /nfs/dbraw/zinc/10/67/51/334106751.db2.gz YAHOAWLHEPVOFX-LBPRGKRZSA-N 1 3 308.347 4.015 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CNCc2ccccc2C(F)(F)F)cc1 ZINC000414815846 334106866 /nfs/dbraw/zinc/10/68/66/334106866.db2.gz YLNLJNASNARFOK-GFCCVEGCSA-N 1 3 308.347 4.015 20 0 DIADHO CCSc1cccc(CNCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414818182 334107313 /nfs/dbraw/zinc/10/73/13/334107313.db2.gz UZCMYZGENXAOJE-AWEZNQCLSA-N 1 3 300.471 4.108 20 0 DIADHO C[C@H](NC[C@H]1CC[NH2+][C@H](C)C1)c1cccc(Cl)c1Cl ZINC000415081862 334272941 /nfs/dbraw/zinc/27/29/41/334272941.db2.gz CLIPOGHJEDQTGL-WOPDTQHZSA-N 1 3 301.261 4.032 20 0 DIADHO CCCCc1oc2ccccc2c1C[NH2+]C[C@@H]1CCN(CC)C1 ZINC000320382365 334248863 /nfs/dbraw/zinc/24/88/63/334248863.db2.gz VUZUBWZRLUDDQD-INIZCTEOSA-N 1 3 314.473 4.207 20 0 DIADHO CC(C)Oc1cccc(CN[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000415057696 334261680 /nfs/dbraw/zinc/26/16/80/334261680.db2.gz SEZUFDPBPMOYOG-FQEVSTJZSA-N 1 3 312.457 4.044 20 0 DIADHO CCSc1cccc(CN[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000415056743 334261749 /nfs/dbraw/zinc/26/17/49/334261749.db2.gz QNPJJNFXZGYLTO-LJQANCHMSA-N 1 3 314.498 4.368 20 0 DIADHO CCSc1ccc([C@@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000534497345 334277829 /nfs/dbraw/zinc/27/78/29/334277829.db2.gz BWJUIIHHEDPEGV-CQSZACIVSA-N 1 3 304.503 4.076 20 0 DIADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000123699719 334281430 /nfs/dbraw/zinc/28/14/30/334281430.db2.gz WEOBBWMXTBDHPR-CQSZACIVSA-N 1 3 302.849 4.252 20 0 DIADHO C[C@@H](N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000415117069 334283981 /nfs/dbraw/zinc/28/39/81/334283981.db2.gz FWALRRLGILVVJB-MDASCCDHSA-N 1 3 314.860 4.484 20 0 DIADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000514095900 334318307 /nfs/dbraw/zinc/31/83/07/334318307.db2.gz SWXCGBOWMTWMRS-ZDUSSCGKSA-N 1 3 324.459 4.185 20 0 DIADHO C[C@@H](CCc1ccc(F)cc1F)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000514095900 334318308 /nfs/dbraw/zinc/31/83/08/334318308.db2.gz SWXCGBOWMTWMRS-ZDUSSCGKSA-N 1 3 324.459 4.185 20 0 DIADHO CCSc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000535231482 334381260 /nfs/dbraw/zinc/38/12/60/334381260.db2.gz ZXPBTFRECVXARS-UAGQMJEPSA-N 1 3 306.519 4.322 20 0 DIADHO C[C@@H](CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)N1CCCCC1 ZINC000417347258 334706313 /nfs/dbraw/zinc/70/63/13/334706313.db2.gz VPUXZSNBYCVVTP-LUKYLMHMSA-N 1 3 306.519 4.094 20 0 DIADHO C[C@H](C[N@@H+]1CCC[C@H](N2[C@@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000580375262 336261561 /nfs/dbraw/zinc/26/15/61/336261561.db2.gz XFCGLIHBZKUUDH-LXZJYRNTSA-N 1 3 300.490 4.127 20 0 DIADHO C[C@H](C[N@H+]1CCC[C@H](N2[C@@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000580375262 336261562 /nfs/dbraw/zinc/26/15/62/336261562.db2.gz XFCGLIHBZKUUDH-LXZJYRNTSA-N 1 3 300.490 4.127 20 0 DIADHO C[C@H](C[N@@H+]1CCC[C@H](N2[C@H](C)CC[C@H]2C)C1)c1ccccc1 ZINC000580375263 336261641 /nfs/dbraw/zinc/26/16/41/336261641.db2.gz XFCGLIHBZKUUDH-MLYOOKFZSA-N 1 3 300.490 4.127 20 0 DIADHO C[C@H](C[N@H+]1CCC[C@H](N2[C@H](C)CC[C@H]2C)C1)c1ccccc1 ZINC000580375263 336261642 /nfs/dbraw/zinc/26/16/42/336261642.db2.gz XFCGLIHBZKUUDH-MLYOOKFZSA-N 1 3 300.490 4.127 20 0 DIADHO CCC1(CNCc2ccco2)CC[NH+](Cc2ccccc2)CC1 ZINC000532805379 336271819 /nfs/dbraw/zinc/27/18/19/336271819.db2.gz UCANQCIBJOQLHX-UHFFFAOYSA-N 1 3 312.457 4.062 20 0 DIADHO Cc1cc(F)ccc1CNCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000101595573 336283582 /nfs/dbraw/zinc/28/35/82/336283582.db2.gz AUFFGPOLJGRGRC-UHFFFAOYSA-N 1 3 314.448 4.264 20 0 DIADHO Cc1cc(F)ccc1CNCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000101595573 336283583 /nfs/dbraw/zinc/28/35/83/336283583.db2.gz AUFFGPOLJGRGRC-UHFFFAOYSA-N 1 3 314.448 4.264 20 0 DIADHO CCCCN1CCC([NH2+][C@H](CC)c2ccccc2OC)CC1 ZINC000193023348 336287132 /nfs/dbraw/zinc/28/71/32/336287132.db2.gz ZRRCHNGXUHMSHV-GOSISDBHSA-N 1 3 304.478 4.000 20 0 DIADHO CCC[N@H+](C)C[C@@H]1CCN(c2c(C)c(C)nc3ccccc32)C1 ZINC000302057305 336345929 /nfs/dbraw/zinc/34/59/29/336345929.db2.gz BCKGXTHLLNWZJG-KRWDZBQOSA-N 1 3 311.473 4.020 20 0 DIADHO CCC[N@@H+](C)C[C@@H]1CCN(c2c(C)c(C)nc3ccccc32)C1 ZINC000302057305 336345930 /nfs/dbraw/zinc/34/59/30/336345930.db2.gz BCKGXTHLLNWZJG-KRWDZBQOSA-N 1 3 311.473 4.020 20 0 DIADHO CC[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1cccc(C)c1 ZINC000353393870 336415167 /nfs/dbraw/zinc/41/51/67/336415167.db2.gz KKYUIJBWSBTMLY-NRFANRHFSA-N 1 3 323.484 4.347 20 0 DIADHO Cc1nc(C)c([C@H](C)NCCCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000178097525 337160558 /nfs/dbraw/zinc/16/05/58/337160558.db2.gz BPEKUTXKICBKJZ-KBPBESRZSA-N 1 3 309.523 4.065 20 0 DIADHO Cc1nc(C)c([C@H](C)NCCCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000178097525 337160559 /nfs/dbraw/zinc/16/05/59/337160559.db2.gz BPEKUTXKICBKJZ-KBPBESRZSA-N 1 3 309.523 4.065 20 0 DIADHO Cc1nc(C)c([C@@H](C)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000178111427 337162345 /nfs/dbraw/zinc/16/23/45/337162345.db2.gz IZHMHGBIBYLRBM-SOUVJXGZSA-N 1 3 323.550 4.169 20 0 DIADHO Cc1nc(C)c([C@H](C)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000178111418 337162382 /nfs/dbraw/zinc/16/23/82/337162382.db2.gz IZHMHGBIBYLRBM-ZNMIVQPWSA-N 1 3 323.550 4.169 20 0 DIADHO Cc1nc(C)c([C@H](C)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000178111418 337162383 /nfs/dbraw/zinc/16/23/83/337162383.db2.gz IZHMHGBIBYLRBM-ZNMIVQPWSA-N 1 3 323.550 4.169 20 0 DIADHO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCN1CCCCC1 ZINC000178409552 337164553 /nfs/dbraw/zinc/16/45/53/337164553.db2.gz DAJFTDZYAFTCNA-AWEZNQCLSA-N 1 3 309.523 4.102 20 0 DIADHO COc1ccc2oc([C@H](C)NCc3ccc(C[NH3+])cc3)c(C)c2c1 ZINC000582965040 337221759 /nfs/dbraw/zinc/22/17/59/337221759.db2.gz XANGEAKPYJPNEY-AWEZNQCLSA-N 1 3 324.424 4.059 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCC[C@H]1c1ccccc1 ZINC000583316387 337314325 /nfs/dbraw/zinc/31/43/25/337314325.db2.gz XDHKVKFYEQAFPA-KLHJMIIUSA-N 1 3 323.484 4.083 20 0 DIADHO Cc1ccc2c(c1)OCCC[C@@H]2NCc1cccc(C[NH+](C)C)c1 ZINC000123616710 337400207 /nfs/dbraw/zinc/40/02/07/337400207.db2.gz HJDHKHLDVDCHDU-FQEVSTJZSA-N 1 3 324.468 4.060 20 0 DIADHO C[C@@H]1CC[C@H](NCc2cccc(C[NH+](C)C)c2)c2ccccc21 ZINC000123682794 337400438 /nfs/dbraw/zinc/40/04/38/337400438.db2.gz NWOZDNODOCNCAX-IERDGZPVSA-N 1 3 308.469 4.476 20 0 DIADHO C[C@H]1CC[C@H](NCc2cccc(C[NH+](C)C)c2)c2ccccc21 ZINC000123683015 337400482 /nfs/dbraw/zinc/40/04/82/337400482.db2.gz NWOZDNODOCNCAX-KKSFZXQISA-N 1 3 308.469 4.476 20 0 DIADHO c1csc(CN(CC[C@H]2CCC[NH2+]C2)Cc2cccs2)c1 ZINC000420323796 337500080 /nfs/dbraw/zinc/50/00/80/337500080.db2.gz UJDTZTAUXJBDSO-OAHLLOKOSA-N 1 3 320.527 4.202 20 0 DIADHO C[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccncc1Cl ZINC000421819610 337648609 /nfs/dbraw/zinc/64/86/09/337648609.db2.gz HZSCAIUMCBUTBE-OAGGEKHMSA-N 1 3 323.912 4.144 20 0 DIADHO CC[C@@H](N[C@H](C)c1ccc(C[NH3+])nc1C)c1ccc(Cl)s1 ZINC000422724964 337684109 /nfs/dbraw/zinc/68/41/09/337684109.db2.gz AAILEHRAIDKIMH-BXUZGUMPSA-N 1 3 323.893 4.366 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)CCC1CCCCC1 ZINC000422739581 337684698 /nfs/dbraw/zinc/68/46/98/337684698.db2.gz ADIDHBPGBJWUNG-GJZGRUSLSA-N 1 3 303.494 4.248 20 0 DIADHO Clc1cccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCCC2)c1 ZINC000422754242 337685125 /nfs/dbraw/zinc/68/51/25/337685125.db2.gz GTCXUCZUSVTFBG-JWTNVVGKSA-N 1 3 318.892 4.024 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000422769029 337685581 /nfs/dbraw/zinc/68/55/81/337685581.db2.gz SNGIMMVRRMUPLF-UZLBHIALSA-N 1 3 311.473 4.287 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000422769025 337685592 /nfs/dbraw/zinc/68/55/92/337685592.db2.gz SNGIMMVRRMUPLF-OXJNMPFZSA-N 1 3 311.473 4.287 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000422816562 337688119 /nfs/dbraw/zinc/68/81/19/337688119.db2.gz ATLBIBKZBIEHKM-KKUMJFAQSA-N 1 3 303.494 4.104 20 0 DIADHO C[C@@H](CCC[NH3+])N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000422931237 337692121 /nfs/dbraw/zinc/69/21/21/337692121.db2.gz BFKCKACMISLMFP-KBXCAEBGSA-N 1 3 302.849 4.146 20 0 DIADHO C[C@@H](CCC[NH3+])N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000423125324 337700663 /nfs/dbraw/zinc/70/06/63/337700663.db2.gz QIYWLRXRPBABIJ-BONVTDFDSA-N 1 3 301.261 4.162 20 0 DIADHO [NH3+]CC1CCC(NC2(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000422954132 337694642 /nfs/dbraw/zinc/69/46/42/337694642.db2.gz HMZMNUSWMRIYNA-UHFFFAOYSA-N 1 3 313.272 4.090 20 0 DIADHO Cc1ccccc1[C@@H](CC(F)(F)F)N[C@@H](C)CCCC[NH3+] ZINC000423086333 337698858 /nfs/dbraw/zinc/69/88/58/337698858.db2.gz LRJJLYAJRKLVAP-DZGCQCFKSA-N 1 3 302.384 4.096 20 0 DIADHO Clc1ccc([C@H]2C[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423100216 337699391 /nfs/dbraw/zinc/69/93/91/337699391.db2.gz URRLZELVXOUFHZ-XFUTXVRSSA-N 1 3 318.892 4.096 20 0 DIADHO C[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(-c2ccc(F)cc2)s1 ZINC000423210122 337704164 /nfs/dbraw/zinc/70/41/64/337704164.db2.gz JSTNWPRTPMYQQP-ZIAGYGMSSA-N 1 3 318.461 4.204 20 0 DIADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1CN)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423280876 337709207 /nfs/dbraw/zinc/70/92/07/337709207.db2.gz TTZLXLLOXKOKSO-YHQUGGNUSA-N 1 3 312.910 4.001 20 0 DIADHO Cc1ccc2c(c1)OCCC[C@H]2NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423290574 337709893 /nfs/dbraw/zinc/70/98/93/337709893.db2.gz DOMUWUZJECDDAR-DNVCBOLYSA-N 1 3 310.441 4.018 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2nccc3ccccc32)cc1 ZINC000423291333 337709906 /nfs/dbraw/zinc/70/99/06/337709906.db2.gz HWQNDRQDAYHZAO-HUUCEWRRSA-N 1 3 305.425 4.105 20 0 DIADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000423292092 337710076 /nfs/dbraw/zinc/71/00/76/337710076.db2.gz LICYDOJLZMVUKA-KPZWWZAWSA-N 1 3 300.833 4.137 20 0 DIADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cc2c(s1)CCCC2 ZINC000423292500 337710335 /nfs/dbraw/zinc/71/03/35/337710335.db2.gz NFLJKISAFGJKMU-UONOGXRCSA-N 1 3 314.498 4.497 20 0 DIADHO Cc1ccc2c(c1)[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)CCCO2 ZINC000423294717 337710752 /nfs/dbraw/zinc/71/07/52/337710752.db2.gz UZUJKXXAAHQIMA-DNVCBOLYSA-N 1 3 310.441 4.018 20 0 DIADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(C(C)(C)C)cc1 ZINC000423365293 337714704 /nfs/dbraw/zinc/71/47/04/337714704.db2.gz WMGJHQHETVSGSD-OAHLLOKOSA-N 1 3 308.469 4.438 20 0 DIADHO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000423377626 337717570 /nfs/dbraw/zinc/71/75/70/337717570.db2.gz VUARJUBOLGNCNB-PMPSAXMXSA-N 1 3 313.489 4.084 20 0 DIADHO CC(C)Oc1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000423378917 337717578 /nfs/dbraw/zinc/71/75/78/337717578.db2.gz XACYFQVHSKWSOW-CFVMTHIKSA-N 1 3 310.869 4.048 20 0 DIADHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423436122 337718959 /nfs/dbraw/zinc/71/89/59/337718959.db2.gz PMJPEHKUGKATES-HOTGVXAUSA-N 1 3 313.445 4.042 20 0 DIADHO C[C@H](NC[C@H]1CCC[C@H]([NH3+])C1)c1cc(Cl)ccc1Cl ZINC000423457179 337720441 /nfs/dbraw/zinc/72/04/41/337720441.db2.gz HRZWWPXZJUZUHG-GVXVVHGQSA-N 1 3 301.261 4.162 20 0 DIADHO C[C@H](N[C@H]1CC[C@@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1Cl ZINC000423492530 337722657 /nfs/dbraw/zinc/72/26/57/337722657.db2.gz NKLAVOPCMFNZFL-AEJSXWLSSA-N 1 3 321.679 4.425 20 0 DIADHO COc1ccc2c(c1)[C@@H](N[C@H](CCC[NH3+])c1ccccc1)CCC2 ZINC000423496697 337722972 /nfs/dbraw/zinc/72/29/72/337722972.db2.gz FJFGIRMOQBSKAQ-RTWAWAEBSA-N 1 3 324.468 4.142 20 0 DIADHO CCc1nc(C)c([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)s1 ZINC000423515265 337724221 /nfs/dbraw/zinc/72/42/21/337724221.db2.gz XGPOTMZLBBZHEQ-CZUORRHYSA-N 1 3 317.502 4.145 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CNCc1ccsc1C ZINC000315137511 337981553 /nfs/dbraw/zinc/98/15/53/337981553.db2.gz NATXNJWSDIGPNP-UHFFFAOYSA-N 1 3 302.487 4.188 20 0 DIADHO CN1CC[C@H]([NH2+][C@@H]2CCCc3sc(Cl)cc32)[C@H]2CCC[C@H]21 ZINC000426312708 338026336 /nfs/dbraw/zinc/02/63/36/338026336.db2.gz KFXAGATVGZTMNN-REBRKWNGSA-N 1 3 324.921 4.241 20 0 DIADHO C[N@@H+]1CC[C@H](N[C@@H]2CCCc3sc(Cl)cc32)[C@H]2CCC[C@H]21 ZINC000426312708 338026337 /nfs/dbraw/zinc/02/63/37/338026337.db2.gz KFXAGATVGZTMNN-REBRKWNGSA-N 1 3 324.921 4.241 20 0 DIADHO C[N@H+]1CC[C@H](N[C@@H]2CCCc3sc(Cl)cc32)[C@H]2CCC[C@H]21 ZINC000426312708 338026338 /nfs/dbraw/zinc/02/63/38/338026338.db2.gz KFXAGATVGZTMNN-REBRKWNGSA-N 1 3 324.921 4.241 20 0 DIADHO CCc1c(C)nc2ccccc2c1N1CCC[C@H]([NH+](C)C)CC1 ZINC000428668777 338058246 /nfs/dbraw/zinc/05/82/46/338058246.db2.gz HLGHKUYDHDYUGO-INIZCTEOSA-N 1 3 311.473 4.026 20 0 DIADHO Cc1cc(F)ccc1C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000428736104 338060061 /nfs/dbraw/zinc/06/00/61/338060061.db2.gz GPYBNBHHEDCUNE-UHFFFAOYSA-N 1 3 318.480 4.190 20 0 DIADHO CC[NH+](CC)CCC[C@@H](C)NCc1nc2ccc(F)cc2s1 ZINC000428874190 338064042 /nfs/dbraw/zinc/06/40/42/338064042.db2.gz LZOOQPOUOMWHDC-CYBMUJFWSA-N 1 3 323.481 4.036 20 0 DIADHO C[C@@H](c1ccc(C(C)(C)C)cc1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000428994315 338068140 /nfs/dbraw/zinc/06/81/40/338068140.db2.gz BJQXRVDHKWXREZ-OXJNMPFZSA-N 1 3 300.490 4.073 20 0 DIADHO C[C@@H](c1ccc(C(C)(C)C)cc1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000428994315 338068141 /nfs/dbraw/zinc/06/81/41/338068141.db2.gz BJQXRVDHKWXREZ-OXJNMPFZSA-N 1 3 300.490 4.073 20 0 DIADHO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000430714763 338112114 /nfs/dbraw/zinc/11/21/14/338112114.db2.gz PMGJROYGWGFXNT-ILZDJORESA-N 1 3 315.505 4.102 20 0 DIADHO C[NH+](C)CC1CCC(NCc2csc(Cl)c2Cl)CC1 ZINC000432258118 338151626 /nfs/dbraw/zinc/15/16/26/338151626.db2.gz MLFQAMOJZANNOK-UHFFFAOYSA-N 1 3 321.317 4.265 20 0 DIADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000438079953 338330153 /nfs/dbraw/zinc/33/01/53/338330153.db2.gz ZXIBYVAAIRVZRM-FZKCQIBNSA-N 1 3 320.443 4.065 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000438198214 338336255 /nfs/dbraw/zinc/33/62/55/338336255.db2.gz GQOOFBYDMIBZDL-HMXCVIKNSA-N 1 3 314.517 4.207 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000156152177 338341250 /nfs/dbraw/zinc/34/12/50/338341250.db2.gz UZBDYUZFKCPASS-KRWDZBQOSA-N 1 3 306.881 4.180 20 0 DIADHO CN1CCC[C@H]1CC[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439331570 338367467 /nfs/dbraw/zinc/36/74/67/338367467.db2.gz RXNCRDWASAQVED-KRWDZBQOSA-N 1 3 324.871 4.085 20 0 DIADHO CC1CC[NH+](C2CCC(N[C@@H]3CCCc4occc43)CC2)CC1 ZINC000447579403 338558640 /nfs/dbraw/zinc/55/86/40/338558640.db2.gz KOWPVMSDRDZYKP-FAFZWHIHSA-N 1 3 316.489 4.290 20 0 DIADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C(C)(C)c1ccccc1 ZINC000459408091 339027550 /nfs/dbraw/zinc/02/75/50/339027550.db2.gz QFRIYLIUMLCBSQ-QGZVFWFLSA-N 1 3 323.484 4.006 20 0 DIADHO C[C@@H]([NH2+]CC1CCC(F)(F)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000459411178 339027700 /nfs/dbraw/zinc/02/77/00/339027700.db2.gz UATHUNZHCGGUMY-ZBFHGGJFSA-N 1 3 314.464 4.055 20 0 DIADHO Cc1ccccc1[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C(C)C ZINC000459429870 339028686 /nfs/dbraw/zinc/02/86/86/339028686.db2.gz PQQXBQXFDYVCQF-OAQYLSRUSA-N 1 3 323.484 4.346 20 0 DIADHO C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000459475568 339031509 /nfs/dbraw/zinc/03/15/09/339031509.db2.gz YVNKARUWPISPKG-RBAQFSTRSA-N 1 3 312.501 4.033 20 0 DIADHO CC(C)[NH+]1CCC(N[C@@H]2c3ccccc3CCC[C@@H]2C)CC1 ZINC000462840210 339093735 /nfs/dbraw/zinc/09/37/35/339093735.db2.gz PZSSQMGAQFVSTN-JXFKEZNVSA-N 1 3 300.490 4.163 20 0 DIADHO C[C@@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000463141515 339106981 /nfs/dbraw/zinc/10/69/81/339106981.db2.gz CCJVSHSZFWCPOF-DBXWQHBBSA-N 1 3 308.469 4.390 20 0 DIADHO C[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000463141515 339106982 /nfs/dbraw/zinc/10/69/82/339106982.db2.gz CCJVSHSZFWCPOF-DBXWQHBBSA-N 1 3 308.469 4.390 20 0 DIADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)C1 ZINC000464061976 339132477 /nfs/dbraw/zinc/13/24/77/339132477.db2.gz LZODKSAYZGTGJT-RDGPPVDQSA-N 1 3 300.490 4.031 20 0 DIADHO CCCN(C)C[C@H]1CC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000471047570 339335751 /nfs/dbraw/zinc/33/57/51/339335751.db2.gz KHKJFQYBMWTNTI-LJQANCHMSA-N 1 3 310.485 4.046 20 0 DIADHO CCCN(C)C[C@H]1CC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000471047570 339335752 /nfs/dbraw/zinc/33/57/52/339335752.db2.gz KHKJFQYBMWTNTI-LJQANCHMSA-N 1 3 310.485 4.046 20 0 DIADHO COc1ccsc1[C@@H](C)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000472157903 339364635 /nfs/dbraw/zinc/36/46/35/339364635.db2.gz NHVVGNDJBTUYFD-HUUCEWRRSA-N 1 3 310.507 4.062 20 0 DIADHO COc1ccsc1[C@@H](C)NCCCC[N@H+]1CCCC[C@H]1C ZINC000472157903 339364636 /nfs/dbraw/zinc/36/46/36/339364636.db2.gz NHVVGNDJBTUYFD-HUUCEWRRSA-N 1 3 310.507 4.062 20 0 DIADHO C[NH+]1CCC2(CCCN2Cc2ccc(C(C)(C)C)s2)CC1 ZINC000472613217 339375207 /nfs/dbraw/zinc/37/52/07/339375207.db2.gz QWYIQPSIRLVGBC-UHFFFAOYSA-N 1 3 306.519 4.106 20 0 DIADHO CN1CCC2(CCC[N@@H+]2Cc2ccc(C(C)(C)C)s2)CC1 ZINC000472613217 339375208 /nfs/dbraw/zinc/37/52/08/339375208.db2.gz QWYIQPSIRLVGBC-UHFFFAOYSA-N 1 3 306.519 4.106 20 0 DIADHO CN1CCC2(CCC[N@H+]2Cc2ccc(C(C)(C)C)s2)CC1 ZINC000472613217 339375209 /nfs/dbraw/zinc/37/52/09/339375209.db2.gz QWYIQPSIRLVGBC-UHFFFAOYSA-N 1 3 306.519 4.106 20 0 DIADHO CCCN1CCC([N@H+](C)Cc2cccc(SCC)c2)CC1 ZINC000473147334 339382993 /nfs/dbraw/zinc/38/29/93/339382993.db2.gz VIBYYARWWFCMSW-UHFFFAOYSA-N 1 3 306.519 4.105 20 0 DIADHO CCCN1CCC([N@@H+](C)Cc2cccc(SCC)c2)CC1 ZINC000473147334 339382994 /nfs/dbraw/zinc/38/29/94/339382994.db2.gz VIBYYARWWFCMSW-UHFFFAOYSA-N 1 3 306.519 4.105 20 0 DIADHO C[C@@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)C1CCC(F)(F)CC1 ZINC000474021508 339397382 /nfs/dbraw/zinc/39/73/82/339397382.db2.gz HHKHZTIFXJCCPX-GFCCVEGCSA-N 1 3 302.453 4.099 20 0 DIADHO C[C@H](CCCC(F)(F)F)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000480211076 339563668 /nfs/dbraw/zinc/56/36/68/339563668.db2.gz BJROTCBAHPJJFZ-CQSZACIVSA-N 1 3 320.443 4.352 20 0 DIADHO CCOc1ccc(Cl)cc1[C@@H](C)NCCC1CC[NH+](C)CC1 ZINC000482334228 339629690 /nfs/dbraw/zinc/62/96/90/339629690.db2.gz KTAAKJHIACSVPU-CQSZACIVSA-N 1 3 324.896 4.121 20 0 DIADHO CCC[NH+]1CCC(CN[C@H](C)c2cc3ccccc3o2)CC1 ZINC000482508965 339633936 /nfs/dbraw/zinc/63/39/36/339633936.db2.gz KMRIBCNSGFMHAQ-OAHLLOKOSA-N 1 3 300.446 4.205 20 0 DIADHO CCC[NH+]1CCC(CN[C@H](C)c2ccc(F)cc2Cl)CC1 ZINC000482517501 339634442 /nfs/dbraw/zinc/63/44/42/339634442.db2.gz ZYDSTCADTPCREL-CYBMUJFWSA-N 1 3 312.860 4.252 20 0 DIADHO CC[C@@H](NCCC1CC[NH+](CC)CC1)c1cc(F)ccc1F ZINC000483735597 339673465 /nfs/dbraw/zinc/67/34/65/339673465.db2.gz RBMSKVCBXCPFJJ-GOSISDBHSA-N 1 3 310.432 4.128 20 0 DIADHO CC[NH+](CC)CC1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000488343332 339777798 /nfs/dbraw/zinc/77/77/98/339777798.db2.gz JUQQDZMGJYZGMX-OAHLLOKOSA-N 1 3 308.897 4.455 20 0 DIADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCCN1CCCC1 ZINC000499951737 340047541 /nfs/dbraw/zinc/04/75/41/340047541.db2.gz HKYULHXNHBILOA-CQSZACIVSA-N 1 3 314.395 4.184 20 0 DIADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCCN1CCCC1 ZINC000499951737 340047542 /nfs/dbraw/zinc/04/75/42/340047542.db2.gz HKYULHXNHBILOA-CQSZACIVSA-N 1 3 314.395 4.184 20 0 DIADHO Cc1cccc([C@@H](C)[N@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000501018176 340072388 /nfs/dbraw/zinc/07/23/88/340072388.db2.gz DGOVLDIHUKFRNU-GOSISDBHSA-N 1 3 323.484 4.299 20 0 DIADHO Cc1cccc([C@@H](C)[N@@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000501018176 340072389 /nfs/dbraw/zinc/07/23/89/340072389.db2.gz DGOVLDIHUKFRNU-GOSISDBHSA-N 1 3 323.484 4.299 20 0 DIADHO C[N@H+](CCCC1CCCC1)CC1CCN(c2ccncc2)CC1 ZINC000501025118 340072505 /nfs/dbraw/zinc/07/25/05/340072505.db2.gz YTDVHBDFGQEURE-UHFFFAOYSA-N 1 3 315.505 4.200 20 0 DIADHO C[N@@H+](CCCC1CCCC1)CC1CCN(c2ccncc2)CC1 ZINC000501025118 340072506 /nfs/dbraw/zinc/07/25/06/340072506.db2.gz YTDVHBDFGQEURE-UHFFFAOYSA-N 1 3 315.505 4.200 20 0 DIADHO CC[C@H](c1ccccc1)[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501024433 340072573 /nfs/dbraw/zinc/07/25/73/340072573.db2.gz BOSWXPZEHSXCPV-OAQYLSRUSA-N 1 3 323.484 4.381 20 0 DIADHO CC[C@H](c1ccccc1)[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501024433 340072574 /nfs/dbraw/zinc/07/25/74/340072574.db2.gz BOSWXPZEHSXCPV-OAQYLSRUSA-N 1 3 323.484 4.381 20 0 DIADHO C[C@@H]([NH2+]CCSC1CCCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000501064299 340073348 /nfs/dbraw/zinc/07/33/48/340073348.db2.gz PXASMRXUMFUONP-SJORKVTESA-N 1 3 324.578 4.295 20 0 DIADHO C[C@@H](NCCSC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501064299 340073349 /nfs/dbraw/zinc/07/33/49/340073349.db2.gz PXASMRXUMFUONP-SJORKVTESA-N 1 3 324.578 4.295 20 0 DIADHO C[C@@H](NCCSC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000501064299 340073350 /nfs/dbraw/zinc/07/33/50/340073350.db2.gz PXASMRXUMFUONP-SJORKVTESA-N 1 3 324.578 4.295 20 0 DIADHO Cc1ccc(C)c(C[N@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000501074134 340073748 /nfs/dbraw/zinc/07/37/48/340073748.db2.gz BUPXGBNATPNZND-UHFFFAOYSA-N 1 3 323.484 4.047 20 0 DIADHO Cc1ccc(C)c(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000501074134 340073749 /nfs/dbraw/zinc/07/37/49/340073749.db2.gz BUPXGBNATPNZND-UHFFFAOYSA-N 1 3 323.484 4.047 20 0 DIADHO C/C(=C\c1ccccc1C(F)(F)F)CN[C@H](C)CC[NH+](C)C ZINC000501425199 340080724 /nfs/dbraw/zinc/08/07/24/340080724.db2.gz PADWKRJWPUFMPI-YPDDLIOESA-N 1 3 314.395 4.039 20 0 DIADHO CCC[NH+](CCC)CCCN[C@H]1CCC[C@H](c2cccnc2)C1 ZINC000501483998 340082052 /nfs/dbraw/zinc/08/20/52/340082052.db2.gz WEVQOEGGJLXWMW-ICSRJNTNSA-N 1 3 317.521 4.210 20 0 DIADHO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000502284674 340098734 /nfs/dbraw/zinc/09/87/34/340098734.db2.gz HFBKWMFAEJKYPG-QRQLOZEOSA-N 1 3 318.530 4.128 20 0 DIADHO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000504929016 340156684 /nfs/dbraw/zinc/15/66/84/340156684.db2.gz FUUVDRSQMJXNTI-ZHALLVOQSA-N 1 3 300.490 4.253 20 0 DIADHO CC(C)N1CCC([N@H+](C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000506323659 340192093 /nfs/dbraw/zinc/19/20/93/340192093.db2.gz BNYZDPDZBGRQFA-UHFFFAOYSA-N 1 3 315.288 4.298 20 0 DIADHO CC(C)N1CCC([N@@H+](C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000506323659 340192094 /nfs/dbraw/zinc/19/20/94/340192094.db2.gz BNYZDPDZBGRQFA-UHFFFAOYSA-N 1 3 315.288 4.298 20 0 DIADHO CC(C)COc1ccc(C[N@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000506337872 340192595 /nfs/dbraw/zinc/19/25/95/340192595.db2.gz DOUCAUMDTLTQBA-UHFFFAOYSA-N 1 3 318.505 4.026 20 0 DIADHO CC(C)COc1ccc(C[N@@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000506337872 340192596 /nfs/dbraw/zinc/19/25/96/340192596.db2.gz DOUCAUMDTLTQBA-UHFFFAOYSA-N 1 3 318.505 4.026 20 0 DIADHO c1cc(-c2ccccc2)oc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000506908287 340203427 /nfs/dbraw/zinc/20/34/27/340203427.db2.gz LKUPWDYMFKJKOE-UHFFFAOYSA-N 1 3 324.468 4.254 20 0 DIADHO Cc1cc2cc([C@H](C)NCC3(C)CC[NH+](C)CC3)oc2cc1C ZINC000507480642 340221956 /nfs/dbraw/zinc/22/19/56/340221956.db2.gz PKGXLIBNKIGQGU-INIZCTEOSA-N 1 3 314.473 4.432 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000510874728 340313608 /nfs/dbraw/zinc/31/36/08/340313608.db2.gz PEUPWCAAUSEDQS-GTPINHCMSA-N 1 3 320.908 4.296 20 0 DIADHO CC(C)[N@@H+]1CCC[C@@H](CNC2CC(c3ccccc3Cl)C2)C1 ZINC000510874728 340313609 /nfs/dbraw/zinc/31/36/09/340313609.db2.gz PEUPWCAAUSEDQS-GTPINHCMSA-N 1 3 320.908 4.296 20 0 DIADHO CC(C)[N@H+]1CCC[C@@H](CNC2CC(c3ccccc3Cl)C2)C1 ZINC000510874728 340313610 /nfs/dbraw/zinc/31/36/10/340313610.db2.gz PEUPWCAAUSEDQS-GTPINHCMSA-N 1 3 320.908 4.296 20 0 DIADHO COCC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1)C(C)(C)C ZINC000510979669 340316925 /nfs/dbraw/zinc/31/69/25/340316925.db2.gz PGKJKLOMFYTNNW-NEWSRXKRSA-N 1 3 324.553 4.070 20 0 DIADHO C[C@H]([NH2+]Cc1ccc2occc2c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000511912620 340342824 /nfs/dbraw/zinc/34/28/24/340342824.db2.gz QQDAWKQUWGXIEJ-MAUKXSAKSA-N 1 3 312.457 4.175 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)[C@@H]1CCCN(C2CCC2)C1 ZINC000512334075 340357580 /nfs/dbraw/zinc/35/75/80/340357580.db2.gz ZIGZWMDTWRRKES-BXTJHSDWSA-N 1 3 316.464 4.056 20 0 DIADHO CCN(C)C[C@H]1CC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000173914937 340377603 /nfs/dbraw/zinc/37/76/03/340377603.db2.gz OJHHMAHIOWVOEG-MRXNPFEDSA-N 1 3 306.453 4.030 20 0 DIADHO CCN(C)C[C@H]1CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000173914937 340377604 /nfs/dbraw/zinc/37/76/04/340377604.db2.gz OJHHMAHIOWVOEG-MRXNPFEDSA-N 1 3 306.453 4.030 20 0 DIADHO CCN(C)C[C@@H]1CC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000173914922 340377623 /nfs/dbraw/zinc/37/76/23/340377623.db2.gz OJHHMAHIOWVOEG-INIZCTEOSA-N 1 3 306.453 4.030 20 0 DIADHO CCN(C)C[C@@H]1CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000173914922 340377624 /nfs/dbraw/zinc/37/76/24/340377624.db2.gz OJHHMAHIOWVOEG-INIZCTEOSA-N 1 3 306.453 4.030 20 0 DIADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000123699486 340793634 /nfs/dbraw/zinc/79/36/34/340793634.db2.gz WEOBBWMXTBDHPR-AWEZNQCLSA-N 1 3 302.849 4.252 20 0 DIADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CCC(F)(F)F ZINC000541546014 340973646 /nfs/dbraw/zinc/97/36/46/340973646.db2.gz NBPPLQLVEWALCH-QLFBSQMISA-N 1 3 308.432 4.208 20 0 DIADHO CC(C)[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(Cl)cc1F ZINC000542843897 341023139 /nfs/dbraw/zinc/02/31/39/341023139.db2.gz KCWVCHXDBCELLS-FZKQIMNGSA-N 1 3 324.871 4.250 20 0 DIADHO C[C@@H](CCc1cccc(F)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000543080901 341030968 /nfs/dbraw/zinc/03/09/68/341030968.db2.gz JUXQARNHGNKHDI-PXNSSMCTSA-N 1 3 318.480 4.097 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(-c3ccccc3)s2)C1 ZINC000543600117 341050420 /nfs/dbraw/zinc/05/04/20/341050420.db2.gz BKPQJXRMJQJSMD-JKSUJKDBSA-N 1 3 314.498 4.408 20 0 DIADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(-c3ccccc3)s2)C1 ZINC000543600117 341050421 /nfs/dbraw/zinc/05/04/21/341050421.db2.gz BKPQJXRMJQJSMD-JKSUJKDBSA-N 1 3 314.498 4.408 20 0 DIADHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(-c3ccccc3)s2)C1 ZINC000543600117 341050422 /nfs/dbraw/zinc/05/04/22/341050422.db2.gz BKPQJXRMJQJSMD-JKSUJKDBSA-N 1 3 314.498 4.408 20 0 DIADHO CSc1ccc([C@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1F ZINC000131188819 341064504 /nfs/dbraw/zinc/06/45/04/341064504.db2.gz QWLPBVWWEVKUEY-AWEZNQCLSA-N 1 3 324.509 4.319 20 0 DIADHO C[C@@H]1CCCc2ccccc2[C@@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000547321659 341205501 /nfs/dbraw/zinc/20/55/01/341205501.db2.gz GBPPRJFLCPZHIK-IIBYNOLFSA-N 1 3 312.501 4.164 20 0 DIADHO Cc1cccc2c1[C@@H](C)C[C@@H]2NCc1ccc(C[NH+](C)C)cc1 ZINC000152641627 341213692 /nfs/dbraw/zinc/21/36/92/341213692.db2.gz SFARARYYWVUWGF-JXFKEZNVSA-N 1 3 308.469 4.395 20 0 DIADHO CCc1nc2ccccc2c(N2CC[C@@H](C[NH+]3CCCC3)C2)c1C ZINC000549526802 341296356 /nfs/dbraw/zinc/29/63/56/341296356.db2.gz WFKWHDYXKYZBJU-KRWDZBQOSA-N 1 3 323.484 4.028 20 0 DIADHO Fc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000245760683 341313960 /nfs/dbraw/zinc/31/39/60/341313960.db2.gz VMXADRCUPLKZHY-WKCHPHFGSA-N 1 3 324.443 4.111 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cc3cc(Cl)ccc3o2)C1 ZINC000245940647 341318991 /nfs/dbraw/zinc/31/89/91/341318991.db2.gz UUSQQUDIARSCOU-CHWSQXEVSA-N 1 3 306.837 4.079 20 0 DIADHO CCC[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccn1 ZINC000245963038 341320093 /nfs/dbraw/zinc/32/00/93/341320093.db2.gz VDPUINRQUNTIGT-QZTJIDSGSA-N 1 3 303.494 4.025 20 0 DIADHO CCC[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccccn1 ZINC000245963038 341320094 /nfs/dbraw/zinc/32/00/94/341320094.db2.gz VDPUINRQUNTIGT-QZTJIDSGSA-N 1 3 303.494 4.025 20 0 DIADHO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000247162397 341361674 /nfs/dbraw/zinc/36/16/74/341361674.db2.gz XXWWKGDVZVAVQQ-MSOLQXFVSA-N 1 3 318.505 4.245 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(SC(C)C)cc2)C1 ZINC000247201663 341362306 /nfs/dbraw/zinc/36/23/06/341362306.db2.gz WHQIUPXPXOGERQ-CVEARBPZSA-N 1 3 306.519 4.180 20 0 DIADHO CC[C@H](N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cccs1 ZINC000248390656 341376284 /nfs/dbraw/zinc/37/62/84/341376284.db2.gz BOGHLGJOASQFFH-VYDXJSESSA-N 1 3 306.519 4.442 20 0 DIADHO CC[C@H](N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cccs1 ZINC000248390656 341376285 /nfs/dbraw/zinc/37/62/85/341376285.db2.gz BOGHLGJOASQFFH-VYDXJSESSA-N 1 3 306.519 4.442 20 0 DIADHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)c1cccs1 ZINC000248390656 341376286 /nfs/dbraw/zinc/37/62/86/341376286.db2.gz BOGHLGJOASQFFH-VYDXJSESSA-N 1 3 306.519 4.442 20 0 DIADHO Clc1oc2ccccc2c1CNCCCCC[NH+]1CCCC1 ZINC000555612627 341486872 /nfs/dbraw/zinc/48/68/72/341486872.db2.gz WQPJVZCCVJFHKO-UHFFFAOYSA-N 1 3 320.864 4.442 20 0 DIADHO [NH3+]Cc1ccc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000566244971 341551905 /nfs/dbraw/zinc/55/19/05/341551905.db2.gz QRFKPOYGBOKBRQ-GOSISDBHSA-N 1 3 300.833 4.040 20 0 DIADHO Cc1ccccc1[C@H](C)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000158911654 341666270 /nfs/dbraw/zinc/66/62/70/341666270.db2.gz AIFPGEQJFLEPBA-SFHVURJKSA-N 1 3 308.469 4.442 20 0 DIADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1cccc(Cl)c1 ZINC000294316319 341711251 /nfs/dbraw/zinc/71/12/51/341711251.db2.gz WHTYGMHQGMQTLM-CQSZACIVSA-N 1 3 315.848 4.055 20 0 DIADHO C[NH+](C)Cc1ccc(CN[C@H]2CC(C)(C)c3ccccc32)cc1 ZINC000178382695 341952797 /nfs/dbraw/zinc/95/27/97/341952797.db2.gz XRCIFDCKSFVDMR-FQEVSTJZSA-N 1 3 308.469 4.260 20 0 DIADHO CCc1nc(C)c([C@@H](C)NCCCC[NH+]2CCC(C)CC2)s1 ZINC000158160542 522219767 /nfs/dbraw/zinc/21/97/67/522219767.db2.gz CGVPJGVVOZWVIP-OAHLLOKOSA-N 1 3 323.550 4.177 20 0 DIADHO Cc1nc2c(s1)[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)CCC2 ZINC000157885995 527108259 /nfs/dbraw/zinc/10/82/59/527108259.db2.gz JYBFCQYSESVIDN-HOCLYGCPSA-N 1 3 321.534 4.073 20 0 DIADHO Cc1nc2c(s1)[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)CCC2 ZINC000157885995 527108262 /nfs/dbraw/zinc/10/82/62/527108262.db2.gz JYBFCQYSESVIDN-HOCLYGCPSA-N 1 3 321.534 4.073 20 0 DIADHO FC(F)(F)c1cscc1CNCCCCC[NH+]1CCCC1 ZINC000339498453 527690258 /nfs/dbraw/zinc/69/02/58/527690258.db2.gz SBVOLSQFPJTTSC-UHFFFAOYSA-N 1 3 320.424 4.123 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1cnccc1C ZINC000271403423 535611954 /nfs/dbraw/zinc/61/19/54/535611954.db2.gz LXHCFVRPGYWSMX-QGZVFWFLSA-N 1 3 311.473 4.083 20 0 DIADHO C[NH+](C)Cc1ccc(CN[C@H]2CCCCc3ccccc32)cc1 ZINC000340190567 536011204 /nfs/dbraw/zinc/01/12/04/536011204.db2.gz BDNXIRATISCFLP-NRFANRHFSA-N 1 3 308.469 4.306 20 0 DIADHO CN(C)Cc1ccc(C[NH2+][C@H]2CCCCc3ccccc32)cc1 ZINC000340190567 536011211 /nfs/dbraw/zinc/01/12/11/536011211.db2.gz BDNXIRATISCFLP-NRFANRHFSA-N 1 3 308.469 4.306 20 0 DIADHO C[NH+](C)Cc1ccc(CN[C@@H]2CCCCc3ccccc32)cc1 ZINC000340190569 536011460 /nfs/dbraw/zinc/01/14/60/536011460.db2.gz BDNXIRATISCFLP-OAQYLSRUSA-N 1 3 308.469 4.306 20 0 DIADHO CN(C)Cc1ccc(C[NH2+][C@@H]2CCCCc3ccccc32)cc1 ZINC000340190569 536011464 /nfs/dbraw/zinc/01/14/64/536011464.db2.gz BDNXIRATISCFLP-OAQYLSRUSA-N 1 3 308.469 4.306 20 0 DIADHO C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000643548963 1035607414 /nfs/dbraw/zinc/60/74/14/1035607414.db2.gz YEEOOWUYMJCQES-YIYPIFLZSA-N 1 3 324.921 4.158 20 0 DIADHO c1ccc(CN2CC3(C2)CC[NH+](CCC2CCCC2)CC3)cc1 ZINC001208694265 1035812402 /nfs/dbraw/zinc/81/24/02/1035812402.db2.gz NBKPHXKGCJAFKF-UHFFFAOYSA-N 1 3 312.501 4.165 20 0 DIADHO CC(C)C[C@H](C[NH2+]C[C@H]1CCN(C(C)C)C1)c1ccccc1 ZINC000558419433 1036001914 /nfs/dbraw/zinc/00/19/14/1036001914.db2.gz WNGFWBSGQKOWMW-UYAOXDASSA-N 1 3 302.506 4.136 20 0 DIADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(Cl)s1 ZINC000037786548 1036135129 /nfs/dbraw/zinc/13/51/29/1036135129.db2.gz HTCRFNIYNGFJSR-NSHDSACASA-N 1 3 300.899 4.315 20 0 DIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccsc1 ZINC000398123895 1036242382 /nfs/dbraw/zinc/24/23/82/1036242382.db2.gz HSWQHDDKVNMQRG-BXWFABGCSA-N 1 3 314.498 4.309 20 0 DIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccsc1 ZINC000398123895 1036242393 /nfs/dbraw/zinc/24/23/93/1036242393.db2.gz HSWQHDDKVNMQRG-BXWFABGCSA-N 1 3 314.498 4.309 20 0 DIADHO CN1CC[C@@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CC1(C)C ZINC001648802230 1036369386 /nfs/dbraw/zinc/36/93/86/1036369386.db2.gz AVPAVLOICVZELN-GOSISDBHSA-N 1 3 324.468 4.441 20 0 DIADHO CC[C@H](CC(F)F)CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001167424234 1037227179 /nfs/dbraw/zinc/22/71/79/1037227179.db2.gz FDUZZPJIDIYLKQ-GVDBMIGSSA-N 1 3 316.480 4.254 20 0 DIADHO CC[C@H](CC(F)F)CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001167424234 1037227184 /nfs/dbraw/zinc/22/71/84/1037227184.db2.gz FDUZZPJIDIYLKQ-GVDBMIGSSA-N 1 3 316.480 4.254 20 0 DIADHO Cc1cc([C@@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc(C)c1F ZINC000126787542 1037320424 /nfs/dbraw/zinc/32/04/24/1037320424.db2.gz IOORQLDXOMHVCW-CCNLRDMRSA-N 1 3 304.453 4.108 20 0 DIADHO Cc1cc([C@@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(C)c1F ZINC000126787542 1037320443 /nfs/dbraw/zinc/32/04/43/1037320443.db2.gz IOORQLDXOMHVCW-CCNLRDMRSA-N 1 3 304.453 4.108 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2cc(C)c(F)c(C)c2)CC1 ZINC001143385109 1037361232 /nfs/dbraw/zinc/36/12/32/1037361232.db2.gz OBNYXKRZALSDHN-UHFFFAOYSA-N 1 3 306.469 4.139 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2cc(C)c(F)c(C)c2)CC1 ZINC001143385109 1037361248 /nfs/dbraw/zinc/36/12/48/1037361248.db2.gz OBNYXKRZALSDHN-UHFFFAOYSA-N 1 3 306.469 4.139 20 0 DIADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000656683219 1037787566 /nfs/dbraw/zinc/78/75/66/1037787566.db2.gz KAFKZCOSITYHAF-NRFANRHFSA-N 1 3 323.484 4.035 20 0 DIADHO CCc1ncc(CN2CCC(CCC[NH+](CC)CC)CC2)s1 ZINC000341533281 1038088369 /nfs/dbraw/zinc/08/83/69/1038088369.db2.gz QMHOIXQKBCGXKJ-UHFFFAOYSA-N 1 3 323.550 4.040 20 0 DIADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cnc2ccsc2c1 ZINC000126537690 1038108340 /nfs/dbraw/zinc/10/83/40/1038108340.db2.gz KNJMSDHDYNTLJV-CYBMUJFWSA-N 1 3 317.502 4.210 20 0 DIADHO CCOc1ccccc1[C@H](CC)[NH2+]CC[C@@H]1CCCCN1C ZINC000341662862 1038213673 /nfs/dbraw/zinc/21/36/73/1038213673.db2.gz VYJLFAPHTYFCLL-WMZOPIPTSA-N 1 3 304.478 4.000 20 0 DIADHO C[C@H]1C[C@@H](NCc2ccc(N(C)c3ccccc3)cc2)CC[N@@H+]1C ZINC000608061579 1038761798 /nfs/dbraw/zinc/76/17/98/1038761798.db2.gz ZIYUBZVSTSXYTE-HKUYNNGSSA-N 1 3 323.484 4.027 20 0 DIADHO C[C@H]1C[C@@H](NCc2ccc(N(C)c3ccccc3)cc2)CC[N@H+]1C ZINC000608061579 1038761802 /nfs/dbraw/zinc/76/18/02/1038761802.db2.gz ZIYUBZVSTSXYTE-HKUYNNGSSA-N 1 3 323.484 4.027 20 0 DIADHO CC(C)C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccncc1 ZINC000647281984 1039224638 /nfs/dbraw/zinc/22/46/38/1039224638.db2.gz RSIVVKXJTOKQNI-FQEVSTJZSA-N 1 3 311.473 4.020 20 0 DIADHO CC(C)[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cc2ccccc2o1 ZINC000539547085 1039285871 /nfs/dbraw/zinc/28/58/71/1039285871.db2.gz NTHFUBGDHFFWMU-KXBFYZLASA-N 1 3 300.446 4.061 20 0 DIADHO CC(C)[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cc2ccccc2o1 ZINC000539547085 1039285887 /nfs/dbraw/zinc/28/58/87/1039285887.db2.gz NTHFUBGDHFFWMU-KXBFYZLASA-N 1 3 300.446 4.061 20 0 DIADHO Cc1ccsc1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080338959 1039320759 /nfs/dbraw/zinc/32/07/59/1039320759.db2.gz AVRPZFCLBXNNJN-SJLPKXTDSA-N 1 3 314.498 4.199 20 0 DIADHO Cc1ccsc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080338959 1039320780 /nfs/dbraw/zinc/32/07/80/1039320780.db2.gz AVRPZFCLBXNNJN-SJLPKXTDSA-N 1 3 314.498 4.199 20 0 DIADHO C[C@H](NCCC1CC[NH2+]CC1)c1cc(Cl)sc1Cl ZINC000650764377 1039486175 /nfs/dbraw/zinc/48/61/75/1039486175.db2.gz XCDAAUOQMCHVQI-VIFPVBQESA-N 1 3 307.290 4.095 20 0 DIADHO C[C@H]1C[C@@H]1[C@H](N[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000540189083 1039442643 /nfs/dbraw/zinc/44/26/43/1039442643.db2.gz WUNXEYHDASXHFD-PWFRQKOXSA-N 1 3 320.908 4.355 20 0 DIADHO C[C@H]1C[C@@H]1[C@H](N[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000540189083 1039442652 /nfs/dbraw/zinc/44/26/52/1039442652.db2.gz WUNXEYHDASXHFD-PWFRQKOXSA-N 1 3 320.908 4.355 20 0 DIADHO CCc1ccc([C@H](CC)NCc2ccc(C[NH3+])cc2F)cc1 ZINC000650752365 1039447555 /nfs/dbraw/zinc/44/75/55/1039447555.db2.gz PUOIOLQEKFNGBW-IBGZPJMESA-N 1 3 300.421 4.088 20 0 DIADHO [NH3+]Cc1ccc(CN[C@@H](c2cccs2)C2CCCC2)c(F)c1 ZINC000650753682 1039454689 /nfs/dbraw/zinc/45/46/89/1039454689.db2.gz SSHYMONJLXBGII-GOSISDBHSA-N 1 3 318.461 4.367 20 0 DIADHO COc1ccc([C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C(C)C)cc1 ZINC000540299533 1039468327 /nfs/dbraw/zinc/46/83/27/1039468327.db2.gz KQFLZTCSEBYQRX-YLJYHZDGSA-N 1 3 318.505 4.102 20 0 DIADHO COc1ccc([C@H](NC[C@H]2CCC[N@@H+](C(C)C)C2)C(C)C)cc1 ZINC000540299533 1039468332 /nfs/dbraw/zinc/46/83/32/1039468332.db2.gz KQFLZTCSEBYQRX-YLJYHZDGSA-N 1 3 318.505 4.102 20 0 DIADHO COc1ccc([C@H](NC[C@H]2CCC[N@H+](C(C)C)C2)C(C)C)cc1 ZINC000540299533 1039468338 /nfs/dbraw/zinc/46/83/38/1039468338.db2.gz KQFLZTCSEBYQRX-YLJYHZDGSA-N 1 3 318.505 4.102 20 0 DIADHO COc1ccc([C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C(C)C)cc1 ZINC000540299530 1039469595 /nfs/dbraw/zinc/46/95/95/1039469595.db2.gz KQFLZTCSEBYQRX-FXAWDEMLSA-N 1 3 318.505 4.102 20 0 DIADHO COc1ccc([C@H](NC[C@@H]2CCC[N@@H+](C(C)C)C2)C(C)C)cc1 ZINC000540299530 1039469609 /nfs/dbraw/zinc/46/96/09/1039469609.db2.gz KQFLZTCSEBYQRX-FXAWDEMLSA-N 1 3 318.505 4.102 20 0 DIADHO COc1ccc([C@H](NC[C@@H]2CCC[N@H+](C(C)C)C2)C(C)C)cc1 ZINC000540299530 1039469621 /nfs/dbraw/zinc/46/96/21/1039469621.db2.gz KQFLZTCSEBYQRX-FXAWDEMLSA-N 1 3 318.505 4.102 20 0 DIADHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)c1cc2ccncc2s1 ZINC000657824564 1039585967 /nfs/dbraw/zinc/58/59/67/1039585967.db2.gz URSKURNDMYDZGN-GJZGRUSLSA-N 1 3 317.502 4.211 20 0 DIADHO C[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1cc2ccncc2s1 ZINC000657842189 1039689179 /nfs/dbraw/zinc/68/91/79/1039689179.db2.gz IILWEWAZITUTDM-LSDHHAIUSA-N 1 3 317.502 4.069 20 0 DIADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1cc2ccncc2s1 ZINC000657842189 1039689187 /nfs/dbraw/zinc/68/91/87/1039689187.db2.gz IILWEWAZITUTDM-LSDHHAIUSA-N 1 3 317.502 4.069 20 0 DIADHO Cc1ccccc1CCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000541601903 1039717138 /nfs/dbraw/zinc/71/71/38/1039717138.db2.gz VWESNWHALOUMTI-ICSRJNTNSA-N 1 3 314.517 4.170 20 0 DIADHO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC[C@H]1CCCCN1C ZINC000541660434 1039726169 /nfs/dbraw/zinc/72/61/69/1039726169.db2.gz DMNBSZFIKDQISE-JKSUJKDBSA-N 1 3 300.446 4.266 20 0 DIADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000171126468 1039939975 /nfs/dbraw/zinc/93/99/75/1039939975.db2.gz YLAIIWFEBIZRAA-AWEZNQCLSA-N 1 3 302.849 4.252 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2cc3ccncc3s2)C1 ZINC000657872558 1039952156 /nfs/dbraw/zinc/95/21/56/1039952156.db2.gz OBWZEGIGBVORQM-CABCVRRESA-N 1 3 317.502 4.067 20 0 DIADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)c2cc3ccncc3s2)C1 ZINC000657872558 1039952177 /nfs/dbraw/zinc/95/21/77/1039952177.db2.gz OBWZEGIGBVORQM-CABCVRRESA-N 1 3 317.502 4.067 20 0 DIADHO CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)c2cc3ccncc3s2)C1 ZINC000657872558 1039952193 /nfs/dbraw/zinc/95/21/93/1039952193.db2.gz OBWZEGIGBVORQM-CABCVRRESA-N 1 3 317.502 4.067 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2cc3ccncc3s2)C1 ZINC000657872562 1039952960 /nfs/dbraw/zinc/95/29/60/1039952960.db2.gz OBWZEGIGBVORQM-HUUCEWRRSA-N 1 3 317.502 4.067 20 0 DIADHO CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)c2cc3ccncc3s2)C1 ZINC000657872562 1039952969 /nfs/dbraw/zinc/95/29/69/1039952969.db2.gz OBWZEGIGBVORQM-HUUCEWRRSA-N 1 3 317.502 4.067 20 0 DIADHO CC(C)[N@H+]1CCC[C@H](CN[C@H](C)c2cc3ccncc3s2)C1 ZINC000657872562 1039952982 /nfs/dbraw/zinc/95/29/82/1039952982.db2.gz OBWZEGIGBVORQM-HUUCEWRRSA-N 1 3 317.502 4.067 20 0 DIADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccccc1 ZINC000197136796 1039971883 /nfs/dbraw/zinc/97/18/83/1039971883.db2.gz SOJWKPGESCYEFG-FQEVSTJZSA-N 1 3 308.469 4.077 20 0 DIADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccccc1 ZINC000197136796 1039971894 /nfs/dbraw/zinc/97/18/94/1039971894.db2.gz SOJWKPGESCYEFG-FQEVSTJZSA-N 1 3 308.469 4.077 20 0 DIADHO CC[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C1CC1 ZINC000309991086 1040102767 /nfs/dbraw/zinc/10/27/67/1040102767.db2.gz ZYAZUOOEKFOPGZ-ICSRJNTNSA-N 1 3 300.490 4.067 20 0 DIADHO C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)c1cc2ccncc2s1 ZINC000657974274 1040237450 /nfs/dbraw/zinc/23/74/50/1040237450.db2.gz ZDAZEZFJHDRKSQ-LSDHHAIUSA-N 1 3 317.502 4.211 20 0 DIADHO CCCC[C@H](C)[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658163174 1040335822 /nfs/dbraw/zinc/33/58/22/1040335822.db2.gz HXOPJYQNGGJJNS-ROUUACIJSA-N 1 3 317.521 4.098 20 0 DIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(CC(C)C)cc2)[C@@H](C)C1 ZINC001167686818 1040457120 /nfs/dbraw/zinc/45/71/20/1040457120.db2.gz ZGRAMIPWWIFFLM-FXAWDEMLSA-N 1 3 302.506 4.047 20 0 DIADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(CC(C)C)cc2)[C@@H](C)C1 ZINC001167686818 1040457126 /nfs/dbraw/zinc/45/71/26/1040457126.db2.gz ZGRAMIPWWIFFLM-FXAWDEMLSA-N 1 3 302.506 4.047 20 0 DIADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(CC(C)C)cc2)[C@@H](C)C1 ZINC001167686819 1040457571 /nfs/dbraw/zinc/45/75/71/1040457571.db2.gz ZGRAMIPWWIFFLM-PXNSSMCTSA-N 1 3 302.506 4.047 20 0 DIADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(CC(C)C)cc2)[C@@H](C)C1 ZINC001167686819 1040457587 /nfs/dbraw/zinc/45/75/87/1040457587.db2.gz ZGRAMIPWWIFFLM-PXNSSMCTSA-N 1 3 302.506 4.047 20 0 DIADHO C[C@H](N[C@@H](C)c1ccc(F)c(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000924533130 1040520442 /nfs/dbraw/zinc/52/04/42/1040520442.db2.gz VUYPKOCBJOQYQF-KBPBESRZSA-N 1 3 318.411 4.438 20 0 DIADHO c1ccc(C[N@H+]2CC[C@@H](CNCc3ccccc3C3CC3)C2)cc1 ZINC000310069345 1040750236 /nfs/dbraw/zinc/75/02/36/1040750236.db2.gz CULGUGPKGYRNGU-IBGZPJMESA-N 1 3 320.480 4.176 20 0 DIADHO c1ccc(C[N@@H+]2CC[C@@H](CNCc3ccccc3C3CC3)C2)cc1 ZINC000310069345 1040750261 /nfs/dbraw/zinc/75/02/61/1040750261.db2.gz CULGUGPKGYRNGU-IBGZPJMESA-N 1 3 320.480 4.176 20 0 DIADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccsc2)CC1 ZINC000539820226 1041119987 /nfs/dbraw/zinc/11/99/87/1041119987.db2.gz HOKHHNZMDPGQDO-MRXNPFEDSA-N 1 3 306.519 4.225 20 0 DIADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccsc2)CC1 ZINC000539820226 1041119993 /nfs/dbraw/zinc/11/99/93/1041119993.db2.gz HOKHHNZMDPGQDO-MRXNPFEDSA-N 1 3 306.519 4.225 20 0 DIADHO Cc1nc(-c2cc([C@H](C)N[C@H]3CCC[C@@H]([NH3+])C3)cs2)cs1 ZINC000423394327 1041232634 /nfs/dbraw/zinc/23/26/34/1041232634.db2.gz RFNVBAJJGITBQS-GDLCADMTSA-N 1 3 321.515 4.101 20 0 DIADHO CN(C/C=C\c1ccc(F)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738638 1041241419 /nfs/dbraw/zinc/24/14/19/1041241419.db2.gz CPGNJRKQIZJKHV-PLNGDYQASA-N 1 3 312.432 4.033 20 0 DIADHO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121050 1041326224 /nfs/dbraw/zinc/32/62/24/1041326224.db2.gz MPRHGPCRNRKDRK-DZGCQCFKSA-N 1 3 323.550 4.132 20 0 DIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C2(C(C)C)CC2)ccc1OC ZINC000815647798 1041984431 /nfs/dbraw/zinc/98/44/31/1041984431.db2.gz VQAVOTFPCHPVQQ-INIZCTEOSA-N 1 3 318.505 4.376 20 0 DIADHO CC[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc(Cl)c1F ZINC000161560922 1042110991 /nfs/dbraw/zinc/11/09/91/1042110991.db2.gz ONIQZCYTWKHSDR-WBMJQRKESA-N 1 3 310.844 4.004 20 0 DIADHO Cc1ccc2cc([C@@H](C)NCc3ccc(CC[NH3+])cc3)oc2c1 ZINC000817948836 1042130369 /nfs/dbraw/zinc/13/03/69/1042130369.db2.gz LVOGDSNKTCQLFZ-OAHLLOKOSA-N 1 3 308.425 4.093 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)N1CCc2cccc(Cl)c2C1 ZINC001167839669 1042250625 /nfs/dbraw/zinc/25/06/25/1042250625.db2.gz BDBKGMDPDFZBKR-HNNXBMFYSA-N 1 3 308.897 4.209 20 0 DIADHO CCN(Cc1cccc(F)c1F)[C@@H](C)CCC[NH+](CC)CC ZINC001167841064 1042255245 /nfs/dbraw/zinc/25/52/45/1042255245.db2.gz JWSXSOPFZMWMIQ-HNNXBMFYSA-N 1 3 312.448 4.297 20 0 DIADHO CCN(Cc1cccc(F)c1F)[C@H](C)CCC[NH+](CC)CC ZINC001167841065 1042255621 /nfs/dbraw/zinc/25/56/21/1042255621.db2.gz JWSXSOPFZMWMIQ-OAHLLOKOSA-N 1 3 312.448 4.297 20 0 DIADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000319993928 1042300988 /nfs/dbraw/zinc/30/09/88/1042300988.db2.gz KTUKHLLTPLJBDH-KRWDZBQOSA-N 1 3 318.505 4.389 20 0 DIADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171018637 1042329011 /nfs/dbraw/zinc/32/90/11/1042329011.db2.gz UYVIPQYYCGZMEV-RDJZCZTQSA-N 1 3 320.908 4.051 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000513345265 1042535629 /nfs/dbraw/zinc/53/56/29/1042535629.db2.gz ILDFDXLDZKGUSH-UKRRQHHQSA-N 1 3 320.443 4.208 20 0 DIADHO COC1([C@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)CCCCC1 ZINC000421833172 1042655575 /nfs/dbraw/zinc/65/55/75/1042655575.db2.gz NHGFCUPSNSGWHA-KRWDZBQOSA-N 1 3 322.537 4.111 20 0 DIADHO COC1([C@H](C)NC2CC[NH+](C3CCCCC3)CC2)CCCCC1 ZINC000421833172 1042655577 /nfs/dbraw/zinc/65/55/77/1042655577.db2.gz NHGFCUPSNSGWHA-KRWDZBQOSA-N 1 3 322.537 4.111 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](CCC(C)C)C(C)(C)C ZINC000422740165 1042689186 /nfs/dbraw/zinc/68/91/86/1042689186.db2.gz AXGZKOZVRXGQBT-CRAIPNDOSA-N 1 3 305.510 4.350 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000422770328 1042689797 /nfs/dbraw/zinc/68/97/97/1042689797.db2.gz WCKZHUYFASWIBL-ZBFHGGJFSA-N 1 3 319.452 4.414 20 0 DIADHO N[C@@H]1C[C@H]([NH2+]CC2(Sc3ccccc3)CC2)c2ccccc21 ZINC000422904007 1042692191 /nfs/dbraw/zinc/69/21/91/1042692191.db2.gz GINDPTKFFPUDFD-MSOLQXFVSA-N 1 3 310.466 4.046 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)C1CCCCC1 ZINC000423032308 1042696061 /nfs/dbraw/zinc/69/60/61/1042696061.db2.gz YFLJTSMUPJUYJT-AWEZNQCLSA-N 1 3 303.494 4.106 20 0 DIADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CC[C@H](c3cccc(F)c3)C2)c2ccccc21 ZINC000423097849 1042698121 /nfs/dbraw/zinc/69/81/21/1042698121.db2.gz RHRWULIEKHUZCN-NBPAUJCUSA-N 1 3 310.416 4.196 20 0 DIADHO [NH3+][C@@H]1C[C@H](N[C@H]2CC[C@@H](c3cccc(F)c3)C2)c2ccccc21 ZINC000423097852 1042698200 /nfs/dbraw/zinc/69/82/00/1042698200.db2.gz RHRWULIEKHUZCN-NVRFMJDISA-N 1 3 310.416 4.196 20 0 DIADHO C[C@H]([NH2+]CC1(N)CCCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000423178105 1042699437 /nfs/dbraw/zinc/69/94/37/1042699437.db2.gz KCQXEFOVXMQMLH-KBPBESRZSA-N 1 3 317.502 4.040 20 0 DIADHO Cc1ccc(C[NH2+][C@@H](C)c2ccc(CN)nc2C)c2ccccc12 ZINC000423173284 1042699444 /nfs/dbraw/zinc/69/94/44/1042699444.db2.gz XUQFETBYWKCTQZ-HNNXBMFYSA-N 1 3 319.452 4.161 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000423291492 1042704548 /nfs/dbraw/zinc/70/45/48/1042704548.db2.gz IMLSBXKDDKWGGZ-SJKOYZFVSA-N 1 3 316.445 4.172 20 0 DIADHO CSc1ccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1F ZINC000423290409 1042704586 /nfs/dbraw/zinc/70/45/86/1042704586.db2.gz CVMMGGIPVOXDBY-QWHCGFSZSA-N 1 3 318.461 4.418 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2cnc3ccsc3c2)cc1 ZINC000423292598 1042704806 /nfs/dbraw/zinc/70/48/06/1042704806.db2.gz NKJBWOJRYLRBNX-OLZOCXBDSA-N 1 3 311.454 4.167 20 0 DIADHO CSc1ccc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423292940 1042704835 /nfs/dbraw/zinc/70/48/35/1042704835.db2.gz PAMCVXRCAVEGJP-KBPBESRZSA-N 1 3 300.471 4.279 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000423294777 1042705799 /nfs/dbraw/zinc/70/57/99/1042705799.db2.gz VJDHIHDNYUBDJK-XIKOKIGWSA-N 1 3 300.833 4.137 20 0 DIADHO Cc1cc([C@H](NCCCC[NH3+])c2ccccc2Cl)ccc1F ZINC000423317722 1042705829 /nfs/dbraw/zinc/70/58/29/1042705829.db2.gz DAMNOOTZFWWCPC-SFHVURJKSA-N 1 3 320.839 4.205 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000423296378 1042706104 /nfs/dbraw/zinc/70/61/04/1042706104.db2.gz YZYJSJSLSXAEGC-OLZOCXBDSA-N 1 3 320.383 4.159 20 0 DIADHO CCSc1ccc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423374187 1042707543 /nfs/dbraw/zinc/70/75/43/1042707543.db2.gz HZEJNPMJQPDKNT-AWEZNQCLSA-N 1 3 312.482 4.253 20 0 DIADHO CCSc1ccccc1[C@H](C)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423370688 1042708480 /nfs/dbraw/zinc/70/84/80/1042708480.db2.gz FVSXYIRSSGXFMJ-AWEZNQCLSA-N 1 3 312.482 4.253 20 0 DIADHO Cc1nc(C(C)C)sc1[C@H](C)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423392453 1042710784 /nfs/dbraw/zinc/71/07/84/1042710784.db2.gz QFENAWCYWQADAR-LBPRGKRZSA-N 1 3 315.486 4.029 20 0 DIADHO Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423402099 1042711536 /nfs/dbraw/zinc/71/15/36/1042711536.db2.gz WFFSKCUQCPYQHR-VBNZEHGJSA-N 1 3 315.486 4.039 20 0 DIADHO Cc1nc(-c2cc([C@@H](C)[NH2+][C@@H]3CCCC[C@H]3N)cs2)cs1 ZINC000424371759 1042738519 /nfs/dbraw/zinc/73/85/19/1042738519.db2.gz GNONNHTUPGJLBH-LERXQTSPSA-N 1 3 321.515 4.101 20 0 DIADHO CN1CCC[C@H]2C[N@@H+](C(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000514083315 1042770158 /nfs/dbraw/zinc/77/01/58/1042770158.db2.gz MJPPXWVSVSCFMG-SFTDATJTSA-N 1 3 320.480 4.192 20 0 DIADHO CN1CCC[C@H]2C[N@H+](C(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000514083315 1042770162 /nfs/dbraw/zinc/77/01/62/1042770162.db2.gz MJPPXWVSVSCFMG-SFTDATJTSA-N 1 3 320.480 4.192 20 0 DIADHO C[C@H](CCc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167958954 1042801062 /nfs/dbraw/zinc/80/10/62/1042801062.db2.gz KSQRRERPEMYUEM-ZNDGOPKYSA-N 1 3 312.501 4.003 20 0 DIADHO C[C@@H](C[NH2+][C@@H]1CCCSc2ccc(Cl)cc21)CN(C)C ZINC000425926364 1042876004 /nfs/dbraw/zinc/87/60/04/1042876004.db2.gz RYMAFPWZDSUWQT-SWLSCSKDSA-N 1 3 312.910 4.054 20 0 DIADHO C(=C\c1ccccc1)\CNCc1ccccc1C[NH+]1CCCCC1 ZINC000517542191 1042884860 /nfs/dbraw/zinc/88/48/60/1042884860.db2.gz PGDOOJBJCGJEPN-XFXZXTDPSA-N 1 3 320.480 4.476 20 0 DIADHO CSc1cccc(Cl)c1CN1CCCC2(CC[NH2+]CC2)C1 ZINC001204742426 1042955102 /nfs/dbraw/zinc/95/51/02/1042955102.db2.gz NWHUGWFQBNFCHE-UHFFFAOYSA-N 1 3 324.921 4.028 20 0 DIADHO Cc1ccc(C)c(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000383434827 1042991048 /nfs/dbraw/zinc/99/10/48/1042991048.db2.gz CNKVSPDMUIALTD-NRFANRHFSA-N 1 3 322.496 4.305 20 0 DIADHO Cc1ccc(C)c(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000383434827 1042991051 /nfs/dbraw/zinc/99/10/51/1042991051.db2.gz CNKVSPDMUIALTD-NRFANRHFSA-N 1 3 322.496 4.305 20 0 DIADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(C(F)(F)F)cc1 ZINC000519651468 1042997608 /nfs/dbraw/zinc/99/76/08/1042997608.db2.gz ARJZPMCIPVDNJI-GFCCVEGCSA-N 1 3 308.347 4.015 20 0 DIADHO C[C@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccncc1 ZINC000173918713 1043055281 /nfs/dbraw/zinc/05/52/81/1043055281.db2.gz WGRUHUUVUNZPQY-ROUUACIJSA-N 1 3 323.484 4.164 20 0 DIADHO C[C@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccncc1 ZINC000173918713 1043055287 /nfs/dbraw/zinc/05/52/87/1043055287.db2.gz WGRUHUUVUNZPQY-ROUUACIJSA-N 1 3 323.484 4.164 20 0 DIADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@@H+]1CC[C@H](C3CCCCC3)C1)C2 ZINC001167994762 1043067343 /nfs/dbraw/zinc/06/73/43/1043067343.db2.gz NSTOQEHWAZWYSF-CBQMWWCCSA-N 1 3 316.533 4.294 20 0 DIADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@H+]1CC[C@H](C3CCCCC3)C1)C2 ZINC001167994762 1043067353 /nfs/dbraw/zinc/06/73/53/1043067353.db2.gz NSTOQEHWAZWYSF-CBQMWWCCSA-N 1 3 316.533 4.294 20 0 DIADHO CC(C)[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccn1 ZINC000866219845 1043161003 /nfs/dbraw/zinc/16/10/03/1043161003.db2.gz ZEBMSPXYXKIPFJ-OAQYLSRUSA-N 1 3 323.484 4.164 20 0 DIADHO Cc1ccc([C@@H](NC2CC[NH+](CC3CC3)CC2)C2CCC2)cc1 ZINC000427602207 1043235717 /nfs/dbraw/zinc/23/57/17/1043235717.db2.gz FCEJFTLFGHUZLH-NRFANRHFSA-N 1 3 312.501 4.300 20 0 DIADHO CN([C@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168005212 1043245663 /nfs/dbraw/zinc/24/56/63/1043245663.db2.gz HZDPJEJKORWVGW-VHRCFOOQSA-N 1 3 310.485 4.011 20 0 DIADHO CN([C@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168005212 1043245672 /nfs/dbraw/zinc/24/56/72/1043245672.db2.gz HZDPJEJKORWVGW-VHRCFOOQSA-N 1 3 310.485 4.011 20 0 DIADHO Cc1ccncc1[C@H](C)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000427854973 1043309448 /nfs/dbraw/zinc/30/94/48/1043309448.db2.gz ROSMPNWDLLDPFH-RXVVDRJESA-N 1 3 323.484 4.095 20 0 DIADHO Cc1ccncc1[C@H](C)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000427854973 1043309457 /nfs/dbraw/zinc/30/94/57/1043309457.db2.gz ROSMPNWDLLDPFH-RXVVDRJESA-N 1 3 323.484 4.095 20 0 DIADHO C[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1cccc(C[NH+](C)C)c1 ZINC000925374402 1043413971 /nfs/dbraw/zinc/41/39/71/1043413971.db2.gz NEWVRUBGNIPYKK-JLTOFOAXSA-N 1 3 312.432 4.225 20 0 DIADHO C[C@@H]([NH2+]C1CCC(C(F)F)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000442839797 1043433711 /nfs/dbraw/zinc/43/37/11/1043433711.db2.gz YEPOLZCPJMAHAK-YHNBSYBMSA-N 1 3 314.464 4.053 20 0 DIADHO COc1ccc(C2(N[C@H](C)c3cccc(C[NH+](C)C)c3)CC2)cc1 ZINC000925823142 1043477988 /nfs/dbraw/zinc/47/79/88/1043477988.db2.gz WMODLDJJKJBRDN-MRXNPFEDSA-N 1 3 324.468 4.097 20 0 DIADHO C/C(=C/c1ccccc1)CNCCC[N@@H+](C)Cc1ccccc1 ZINC000521821486 1043487832 /nfs/dbraw/zinc/48/78/32/1043487832.db2.gz YNLJWCSYKLTCMC-MNDPQUGUSA-N 1 3 308.469 4.202 20 0 DIADHO C/C(=C/c1ccccc1)CNCCC[N@H+](C)Cc1ccccc1 ZINC000521821486 1043487840 /nfs/dbraw/zinc/48/78/40/1043487840.db2.gz YNLJWCSYKLTCMC-MNDPQUGUSA-N 1 3 308.469 4.202 20 0 DIADHO CCC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccsc1 ZINC000443097876 1043492492 /nfs/dbraw/zinc/49/24/92/1043492492.db2.gz ZWZIVPKVLLHKTE-NUJGCVRESA-N 1 3 324.534 4.068 20 0 DIADHO CCC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000443097877 1043493411 /nfs/dbraw/zinc/49/34/11/1043493411.db2.gz ZWZIVPKVLLHKTE-SOLBZPMBSA-N 1 3 324.534 4.068 20 0 DIADHO CCC(CC)(C[NH2+][C@H]1C[C@@H](N)c2ccccc21)C(F)(F)F ZINC000873247207 1043529677 /nfs/dbraw/zinc/52/96/77/1043529677.db2.gz JLZXCSAJHBVWRL-KGLIPLIRSA-N 1 3 300.368 4.090 20 0 DIADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000474066007 1043565407 /nfs/dbraw/zinc/56/54/07/1043565407.db2.gz NOKCZPUGFYOLCS-CVEARBPZSA-N 1 3 316.480 4.158 20 0 DIADHO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)o1 ZINC000353536423 1043616719 /nfs/dbraw/zinc/61/67/19/1043616719.db2.gz XLXZMZMXVMNECB-NRFANRHFSA-N 1 3 324.468 4.076 20 0 DIADHO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)o1 ZINC000353536423 1043616722 /nfs/dbraw/zinc/61/67/22/1043616722.db2.gz XLXZMZMXVMNECB-NRFANRHFSA-N 1 3 324.468 4.076 20 0 DIADHO Cc1nc(C(C)C)ccc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000559071300 1043687279 /nfs/dbraw/zinc/68/72/79/1043687279.db2.gz OAQOXECGKDFAIK-UHFFFAOYSA-N 1 3 317.521 4.066 20 0 DIADHO Cc1nc(C(C)C)ccc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000559071300 1043687285 /nfs/dbraw/zinc/68/72/85/1043687285.db2.gz OAQOXECGKDFAIK-UHFFFAOYSA-N 1 3 317.521 4.066 20 0 DIADHO C[C@@H]1C[C@@H](N2Cc3ccccc3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039310 1043852222 /nfs/dbraw/zinc/85/22/22/1043852222.db2.gz CWJZABIYYIXEJS-OPMZPASUSA-N 1 3 320.480 4.444 20 0 DIADHO C[C@@H]1C[C@@H](N2Cc3ccccc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039310 1043852240 /nfs/dbraw/zinc/85/22/40/1043852240.db2.gz CWJZABIYYIXEJS-OPMZPASUSA-N 1 3 320.480 4.444 20 0 DIADHO CC(C)[C@@H](C[NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccccc1 ZINC000474713751 1043897736 /nfs/dbraw/zinc/89/77/36/1043897736.db2.gz PXZDOTRDVVRBOI-UYAOXDASSA-N 1 3 302.506 4.136 20 0 DIADHO CCN(CC)CCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474879974 1043965336 /nfs/dbraw/zinc/96/53/36/1043965336.db2.gz RNVNYGWJTSFQRZ-MELADBBJSA-N 1 3 314.926 4.215 20 0 DIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C3CCC4(CC4)CC3)CC2)C1 ZINC000562580013 1044133471 /nfs/dbraw/zinc/13/34/71/1044133471.db2.gz MGUMWMZJFGRYDP-APWZRJJASA-N 1 3 304.522 4.342 20 0 DIADHO CC1(C)CC[C@H](NC2CC[NH+](C3CCC3)CC2)c2ccccc21 ZINC000360829085 1044314193 /nfs/dbraw/zinc/31/41/93/1044314193.db2.gz AYDZECWTCFZTPX-FQEVSTJZSA-N 1 3 312.501 4.406 20 0 DIADHO C/C(=C\c1ccccc1)CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475297523 1044349778 /nfs/dbraw/zinc/34/97/78/1044349778.db2.gz XNABGCAMNZMLHT-PGPKDTDWSA-N 1 3 320.480 4.202 20 0 DIADHO C/C(=C\c1ccccc1)CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475297523 1044349787 /nfs/dbraw/zinc/34/97/87/1044349787.db2.gz XNABGCAMNZMLHT-PGPKDTDWSA-N 1 3 320.480 4.202 20 0 DIADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCc3c2cccc3Cl)cc1 ZINC000564821982 1044406335 /nfs/dbraw/zinc/40/63/35/1044406335.db2.gz AKAPHYPAVJWBLS-KPZWWZAWSA-N 1 3 300.833 4.137 20 0 DIADHO CC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000361765841 1044441913 /nfs/dbraw/zinc/44/19/13/1044441913.db2.gz LMRAYKHUBZSJGM-JRGCBEDISA-N 1 3 323.484 4.033 20 0 DIADHO CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000361765841 1044441918 /nfs/dbraw/zinc/44/19/18/1044441918.db2.gz LMRAYKHUBZSJGM-JRGCBEDISA-N 1 3 323.484 4.033 20 0 DIADHO C[C@H](NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cccnc1 ZINC000112527832 1044443300 /nfs/dbraw/zinc/44/33/00/1044443300.db2.gz VGCXFVPZZFQMLI-MSOLQXFVSA-N 1 3 323.484 4.307 20 0 DIADHO C[C@H](NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cccnc1 ZINC000112527832 1044443305 /nfs/dbraw/zinc/44/33/05/1044443305.db2.gz VGCXFVPZZFQMLI-MSOLQXFVSA-N 1 3 323.484 4.307 20 0 DIADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000567966217 1044594716 /nfs/dbraw/zinc/59/47/16/1044594716.db2.gz VAAXMJSJRFJESL-FXQLRMTLSA-N 1 3 320.443 4.064 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CCc2ccccc2)C1 ZINC000568140565 1044606378 /nfs/dbraw/zinc/60/63/78/1044606378.db2.gz PLUMYDNNCZCHLX-NJDAHSKKSA-N 1 3 314.517 4.108 20 0 DIADHO CCC1CC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000568569561 1044635703 /nfs/dbraw/zinc/63/57/03/1044635703.db2.gz BROJLRPDGTUULB-SYYJFZTOSA-N 1 3 300.490 4.067 20 0 DIADHO c1ccc2c(c1)cccc2CCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000523552949 1044658642 /nfs/dbraw/zinc/65/86/42/1044658642.db2.gz DQKPLOVDRKJMPK-LJQANCHMSA-N 1 3 322.496 4.190 20 0 DIADHO COc1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc12 ZINC000364439476 1044664829 /nfs/dbraw/zinc/66/48/29/1044664829.db2.gz DZXFPKHNBNFTPQ-BBWFWOEESA-N 1 3 324.468 4.126 20 0 DIADHO COc1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc12 ZINC000364439476 1044664832 /nfs/dbraw/zinc/66/48/32/1044664832.db2.gz DZXFPKHNBNFTPQ-BBWFWOEESA-N 1 3 324.468 4.126 20 0 DIADHO CCC[N@H+](CCCN(C)C)Cc1ccc2cccc(Cl)c2n1 ZINC001137230468 1044712302 /nfs/dbraw/zinc/71/23/02/1044712302.db2.gz WNVHHRAHBKNMSV-UHFFFAOYSA-N 1 3 319.880 4.052 20 0 DIADHO CCC[N@@H+](CCCN(C)C)Cc1ccc2cccc(Cl)c2n1 ZINC001137230468 1044712317 /nfs/dbraw/zinc/71/23/17/1044712317.db2.gz WNVHHRAHBKNMSV-UHFFFAOYSA-N 1 3 319.880 4.052 20 0 DIADHO CC(C)(C)N1CCC([NH2+]CCc2cc3ccccc3s2)CC1 ZINC000574224010 1044945419 /nfs/dbraw/zinc/94/54/19/1044945419.db2.gz IJCWDEHIIMJQDX-UHFFFAOYSA-N 1 3 316.514 4.296 20 0 DIADHO CC(C)(C)[NH+]1CCC(NCCc2cc3ccccc3s2)CC1 ZINC000574224010 1044945431 /nfs/dbraw/zinc/94/54/31/1044945431.db2.gz IJCWDEHIIMJQDX-UHFFFAOYSA-N 1 3 316.514 4.296 20 0 DIADHO C[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccc(F)c2ccccc21 ZINC000575213512 1044993167 /nfs/dbraw/zinc/99/31/67/1044993167.db2.gz FQAWGIADOMHKDV-CABCVRRESA-N 1 3 300.421 4.114 20 0 DIADHO C[C@@H](NCC[C@@H]1CCC[N@H+]1C)c1ccc(F)c2ccccc21 ZINC000575213512 1044993177 /nfs/dbraw/zinc/99/31/77/1044993177.db2.gz FQAWGIADOMHKDV-CABCVRRESA-N 1 3 300.421 4.114 20 0 DIADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(F)c2ccccc21 ZINC000575213512 1044993191 /nfs/dbraw/zinc/99/31/91/1044993191.db2.gz FQAWGIADOMHKDV-CABCVRRESA-N 1 3 300.421 4.114 20 0 DIADHO C[N@H+](C/C=C\c1ccccc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000525268841 1045026657 /nfs/dbraw/zinc/02/66/57/1045026657.db2.gz BOHVTFCHTUCRAC-NSDWXSQCSA-N 1 3 320.480 4.154 20 0 DIADHO C[N@@H+](C/C=C\c1ccccc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000525268841 1045026665 /nfs/dbraw/zinc/02/66/65/1045026665.db2.gz BOHVTFCHTUCRAC-NSDWXSQCSA-N 1 3 320.480 4.154 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)NCc1ncc(C(C)(C)C)s1 ZINC000447939773 1045190518 /nfs/dbraw/zinc/19/05/18/1045190518.db2.gz GSMPAMFRVMUHRY-AWEZNQCLSA-N 1 3 311.539 4.041 20 0 DIADHO C([NH2+]C1CCN(C2CCCC2)CC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000578541865 1045251638 /nfs/dbraw/zinc/25/16/38/1045251638.db2.gz CGBQHWWOVKZYCH-PXNSSMCTSA-N 1 3 304.522 4.199 20 0 DIADHO CN(CCc1ccc(C(C)(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000578585071 1045257852 /nfs/dbraw/zinc/25/78/52/1045257852.db2.gz RIRJHGPOBHXLRU-YOFSQIOKSA-N 1 3 314.517 4.084 20 0 DIADHO CN(CCc1ccc(C(C)(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000578585071 1045257862 /nfs/dbraw/zinc/25/78/62/1045257862.db2.gz RIRJHGPOBHXLRU-YOFSQIOKSA-N 1 3 314.517 4.084 20 0 DIADHO Cc1cc(CNCc2ccc(C[NH+]3CCCCC3)cc2)cs1 ZINC000449068524 1045342939 /nfs/dbraw/zinc/34/29/39/1045342939.db2.gz SYSBSEKWCASDRE-UHFFFAOYSA-N 1 3 314.498 4.332 20 0 DIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CCCSC2)CC1 ZINC000449188948 1045356596 /nfs/dbraw/zinc/35/65/96/1045356596.db2.gz SUVYOIONQUPNGK-MRXNPFEDSA-N 1 3 312.567 4.151 20 0 DIADHO CC[NH+]1CCC(N[C@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 ZINC000449449235 1045394595 /nfs/dbraw/zinc/39/45/95/1045394595.db2.gz KYGBRNKXTKDJIV-KRWDZBQOSA-N 1 3 310.844 4.004 20 0 DIADHO C[NH+](C)CCCC(C)(C)NCc1csc(-c2ccccc2)n1 ZINC000449529401 1045405406 /nfs/dbraw/zinc/40/54/06/1045405406.db2.gz WUSVPDYTKCMNEF-UHFFFAOYSA-N 1 3 317.502 4.020 20 0 DIADHO CC[C@H](NCC1=CC[N@H+](C)CC1)c1ccc(Cl)cc1Cl ZINC000392256839 1045648422 /nfs/dbraw/zinc/64/84/22/1045648422.db2.gz LGPQZIJBQHEBDG-INIZCTEOSA-N 1 3 313.272 4.296 20 0 DIADHO CC[C@H](NCC1=CC[N@@H+](C)CC1)c1ccc(Cl)cc1Cl ZINC000392256839 1045648428 /nfs/dbraw/zinc/64/84/28/1045648428.db2.gz LGPQZIJBQHEBDG-INIZCTEOSA-N 1 3 313.272 4.296 20 0 DIADHO CC[C@@H](NCC1=CC[N@H+](C)CC1)c1ccc(Cl)cc1Cl ZINC000392256840 1045648501 /nfs/dbraw/zinc/64/85/01/1045648501.db2.gz LGPQZIJBQHEBDG-MRXNPFEDSA-N 1 3 313.272 4.296 20 0 DIADHO CC[C@@H](NCC1=CC[N@@H+](C)CC1)c1ccc(Cl)cc1Cl ZINC000392256840 1045648510 /nfs/dbraw/zinc/64/85/10/1045648510.db2.gz LGPQZIJBQHEBDG-MRXNPFEDSA-N 1 3 313.272 4.296 20 0 DIADHO COc1ccc([C@H](C)[NH2+]C2CC(N3CCCCC3)C2)cc1Cl ZINC000530371829 1045654765 /nfs/dbraw/zinc/65/47/65/1045654765.db2.gz AXPYMCRZWNLAFD-JEYLPNPQSA-N 1 3 322.880 4.016 20 0 DIADHO CC(C)CCO[C@H]1CC[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000629531165 1045676525 /nfs/dbraw/zinc/67/65/25/1045676525.db2.gz CBIAUJQEYRRSQB-FVCZOJIISA-N 1 3 316.489 4.095 20 0 DIADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc3ccccc3c2)C[C@H]1C ZINC000530901846 1045746220 /nfs/dbraw/zinc/74/62/20/1045746220.db2.gz CXTOISUVDJAPJN-DYESRHJHSA-N 1 3 310.485 4.187 20 0 DIADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc3ccccc3c2)C[C@H]1C ZINC000530901846 1045746226 /nfs/dbraw/zinc/74/62/26/1045746226.db2.gz CXTOISUVDJAPJN-DYESRHJHSA-N 1 3 310.485 4.187 20 0 DIADHO CC[NH+](CC)Cc1ccc(CN[C@H]2CCCc3ncccc32)cc1 ZINC000631567337 1045871848 /nfs/dbraw/zinc/87/18/48/1045871848.db2.gz FUQDFSQNHIKBJO-NRFANRHFSA-N 1 3 323.484 4.091 20 0 DIADHO C[C@H](CCc1ccco1)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000531692499 1045894369 /nfs/dbraw/zinc/89/43/69/1045894369.db2.gz FCTHHKFDYIACLU-QKLQHJQFSA-N 1 3 318.505 4.233 20 0 DIADHO C[C@@H]1CC[C@@H](NC2CC[NH+](CC3CC3)CC2)c2sccc21 ZINC000453067474 1045916260 /nfs/dbraw/zinc/91/62/60/1045916260.db2.gz WOOATRLUTHRNMG-CXAGYDPISA-N 1 3 304.503 4.151 20 0 DIADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc2oc3ccccc3c2c1 ZINC000755051448 1045948996 /nfs/dbraw/zinc/94/89/96/1045948996.db2.gz RENIFGCTOPNGCX-UHFFFAOYSA-N 1 3 310.441 4.263 20 0 DIADHO Cc1ccc(CN[C@@H](CCCC[NH3+])c2ccc(F)cc2F)s1 ZINC000902349842 1045981989 /nfs/dbraw/zinc/98/19/89/1045981989.db2.gz RTRPXJBFLZWUHG-KRWDZBQOSA-N 1 3 324.440 4.295 20 0 DIADHO Cc1ccc(CN[C@H](CCCC[NH3+])c2ccc(F)cc2F)s1 ZINC000902349843 1045983323 /nfs/dbraw/zinc/98/33/23/1045983323.db2.gz RTRPXJBFLZWUHG-QGZVFWFLSA-N 1 3 324.440 4.295 20 0 DIADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1Cl ZINC000902488854 1046004601 /nfs/dbraw/zinc/00/46/01/1046004601.db2.gz PDBHYOGJICRCCY-IWSPIJDZSA-N 1 3 307.652 4.035 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000532214881 1046116747 /nfs/dbraw/zinc/11/67/47/1046116747.db2.gz YWEQIAUONJLJHY-RDTXWAMCSA-N 1 3 306.881 4.037 20 0 DIADHO c1ccc2cc(CCNC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)ccc2c1 ZINC000903080384 1046158375 /nfs/dbraw/zinc/15/83/75/1046158375.db2.gz GLYRYHLHKKPZBY-XDNSSPFJSA-N 1 3 320.480 4.130 20 0 DIADHO c1ccc2cc(CCNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)ccc2c1 ZINC000903080384 1046158380 /nfs/dbraw/zinc/15/83/80/1046158380.db2.gz GLYRYHLHKKPZBY-XDNSSPFJSA-N 1 3 320.480 4.130 20 0 DIADHO Cc1ccc2cc([C@H](C)NCc3cccc4c3CC[NH2+]C4)oc2c1 ZINC000635006519 1046171551 /nfs/dbraw/zinc/17/15/51/1046171551.db2.gz CBNYLBGZYTXMHI-HNNXBMFYSA-N 1 3 320.436 4.238 20 0 DIADHO Cc1c2ccccc2sc1C[N@H+](C)CCCN1CCCC1 ZINC001138460554 1046189787 /nfs/dbraw/zinc/18/97/87/1046189787.db2.gz NAVLREVQCVSNTC-UHFFFAOYSA-N 1 3 302.487 4.127 20 0 DIADHO Cc1c2ccccc2sc1C[N@@H+](C)CCCN1CCCC1 ZINC001138460554 1046189793 /nfs/dbraw/zinc/18/97/93/1046189793.db2.gz NAVLREVQCVSNTC-UHFFFAOYSA-N 1 3 302.487 4.127 20 0 DIADHO C[C@H](NC1CCC(C)([NH+]2CCCC2)CC1)c1ccncc1Cl ZINC000903252790 1046208668 /nfs/dbraw/zinc/20/86/68/1046208668.db2.gz HDMYYIHPHSCYED-SYJJWHGVSA-N 1 3 321.896 4.183 20 0 DIADHO Cc1nc([C@H](C)NC2CCC(C)([NH+]3CCCC3)CC2)c(C)s1 ZINC000903252757 1046208912 /nfs/dbraw/zinc/20/89/12/1046208912.db2.gz FUDBRYKFYVBTHY-BELGNNRLSA-N 1 3 321.534 4.208 20 0 DIADHO C[NH+](C)CC[C@H](N[C@H]1CCC[C@H]1c1ccccc1)c1cccnc1 ZINC000903379681 1046261456 /nfs/dbraw/zinc/26/14/56/1046261456.db2.gz HYHYCQJDMIKWSG-ACRUOGEOSA-N 1 3 323.484 4.000 20 0 DIADHO FC(F)(F)CCCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000676882402 1046443052 /nfs/dbraw/zinc/44/30/52/1046443052.db2.gz MVPSQFLQUANZGG-UHFFFAOYSA-N 1 3 320.443 4.307 20 0 DIADHO CN(C)C1CC[NH+](Cc2cccc3c4ccccc4oc32)CC1 ZINC001139855885 1046533981 /nfs/dbraw/zinc/53/39/81/1046533981.db2.gz DAOWOKLGKXUUMB-UHFFFAOYSA-N 1 3 308.425 4.112 20 0 DIADHO C(=C\c1ccccc1)\CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642713489 1046628947 /nfs/dbraw/zinc/62/89/47/1046628947.db2.gz LQIGNKFHDSUWKQ-FLIBITNWSA-N 1 3 312.501 4.288 20 0 DIADHO Cc1ccc([C@@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)c(C)n1 ZINC000678411477 1046631010 /nfs/dbraw/zinc/63/10/10/1046631010.db2.gz LYAYSTYBRIXFCT-QGZVFWFLSA-N 1 3 323.484 4.145 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(C)nc2C)c1 ZINC000678424614 1046634746 /nfs/dbraw/zinc/63/47/46/1046634746.db2.gz QEELYGYBCQSIHO-MRXNPFEDSA-N 1 3 311.473 4.001 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(C)nc2C)c1 ZINC000678424614 1046634749 /nfs/dbraw/zinc/63/47/49/1046634749.db2.gz QEELYGYBCQSIHO-MRXNPFEDSA-N 1 3 311.473 4.001 20 0 DIADHO C[C@@H](c1ccccc1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000532989345 1046636288 /nfs/dbraw/zinc/63/62/88/1046636288.db2.gz QMRKVQVQFTVTPV-ICSRJNTNSA-N 1 3 308.469 4.202 20 0 DIADHO C[C@@H](c1ccccc1)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000532989345 1046636293 /nfs/dbraw/zinc/63/62/93/1046636293.db2.gz QMRKVQVQFTVTPV-ICSRJNTNSA-N 1 3 308.469 4.202 20 0 DIADHO C[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(-c2ccccc2F)s1 ZINC000643521835 1046670050 /nfs/dbraw/zinc/67/00/50/1046670050.db2.gz CZIFGUCRJKPWIP-UONOGXRCSA-N 1 3 318.461 4.347 20 0 DIADHO CC[C@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000834789259 1046670182 /nfs/dbraw/zinc/67/01/82/1046670182.db2.gz BUPBNQIOXIUQKU-LEWJYISDSA-N 1 3 323.484 4.035 20 0 DIADHO CC[C@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000834789259 1046670185 /nfs/dbraw/zinc/67/01/85/1046670185.db2.gz BUPBNQIOXIUQKU-LEWJYISDSA-N 1 3 323.484 4.035 20 0 DIADHO CC[C@@H](NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000834789261 1046672322 /nfs/dbraw/zinc/67/23/22/1046672322.db2.gz BUPBNQIOXIUQKU-RTWAWAEBSA-N 1 3 323.484 4.035 20 0 DIADHO CC[C@@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000834789261 1046672326 /nfs/dbraw/zinc/67/23/26/1046672326.db2.gz BUPBNQIOXIUQKU-RTWAWAEBSA-N 1 3 323.484 4.035 20 0 DIADHO C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1(c2ccccc2)CCCC1 ZINC000643548639 1046672536 /nfs/dbraw/zinc/67/25/36/1046672536.db2.gz SOPZSACARBJPIY-HKUYNNGSSA-N 1 3 312.501 4.151 20 0 DIADHO Clc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCNC4(CCC4)C3)C2)cc1 ZINC000643547807 1046673857 /nfs/dbraw/zinc/67/38/57/1046673857.db2.gz JFEVCBPEINDISD-BPQIPLTHSA-N 1 3 318.892 4.240 20 0 DIADHO CCCCN1CCC([NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000678923972 1046732832 /nfs/dbraw/zinc/73/28/32/1046732832.db2.gz FWNQHKQUACPXQJ-IBGZPJMESA-N 1 3 304.453 4.057 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc2ccncc21 ZINC001140644649 1046832072 /nfs/dbraw/zinc/83/20/72/1046832072.db2.gz WPCXAVJFWAEWPW-VQTJNVASSA-N 1 3 323.484 4.074 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc2ccncc21 ZINC001140644649 1046832082 /nfs/dbraw/zinc/83/20/82/1046832082.db2.gz WPCXAVJFWAEWPW-VQTJNVASSA-N 1 3 323.484 4.074 20 0 DIADHO CC(C)N(Cc1cc(Cl)cc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC001206581627 1046901878 /nfs/dbraw/zinc/90/18/78/1046901878.db2.gz KOZNGNDUVXRAAL-INIZCTEOSA-N 1 3 315.288 4.346 20 0 DIADHO C[C@H](c1ccco1)N(C)C/C=C\C[N@H+](C)[C@H](C)c1ccco1 ZINC000255780652 1046926372 /nfs/dbraw/zinc/92/63/72/1046926372.db2.gz YXWYPCNKAGUWMS-ILNYKDOHSA-N 1 3 302.418 4.115 20 0 DIADHO C[C@H](c1ccco1)N(C)C/C=C\C[N@@H+](C)[C@H](C)c1ccco1 ZINC000255780652 1046926383 /nfs/dbraw/zinc/92/63/83/1046926383.db2.gz YXWYPCNKAGUWMS-ILNYKDOHSA-N 1 3 302.418 4.115 20 0 DIADHO Cc1cccc2c1ncc(C)c2N1CCCC2(CC[NH+](C)CC2)C1 ZINC000798406064 1046953452 /nfs/dbraw/zinc/95/34/52/1046953452.db2.gz KNUBRDXPTDNTEZ-UHFFFAOYSA-N 1 3 323.484 4.164 20 0 DIADHO CC[C@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccsc1 ZINC000647344319 1046986490 /nfs/dbraw/zinc/98/64/90/1046986490.db2.gz NZDYXQNRDOZHRB-QYZOEREBSA-N 1 3 314.498 4.134 20 0 DIADHO CC[C@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccsc1 ZINC000647344319 1046986495 /nfs/dbraw/zinc/98/64/95/1046986495.db2.gz NZDYXQNRDOZHRB-QYZOEREBSA-N 1 3 314.498 4.134 20 0 DIADHO C[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1Cl ZINC000421819611 1047015491 /nfs/dbraw/zinc/01/54/91/1047015491.db2.gz HZSCAIUMCBUTBE-OWCLPIDISA-N 1 3 323.912 4.144 20 0 DIADHO C[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1Cl ZINC000421819611 1047015505 /nfs/dbraw/zinc/01/55/05/1047015505.db2.gz HZSCAIUMCBUTBE-OWCLPIDISA-N 1 3 323.912 4.144 20 0 DIADHO Cc1ccoc1CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000536663612 1047055333 /nfs/dbraw/zinc/05/53/33/1047055333.db2.gz OYRVYFIOTAPGHG-KRWDZBQOSA-N 1 3 304.478 4.065 20 0 DIADHO Cc1ccoc1CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000536663612 1047055344 /nfs/dbraw/zinc/05/53/44/1047055344.db2.gz OYRVYFIOTAPGHG-KRWDZBQOSA-N 1 3 304.478 4.065 20 0 DIADHO Cc1ccccc1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379641910 1047094316 /nfs/dbraw/zinc/09/43/16/1047094316.db2.gz DMKVQPBWGBCQIY-NQIIRXRSSA-N 1 3 308.469 4.138 20 0 DIADHO Cc1ccccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379641910 1047094328 /nfs/dbraw/zinc/09/43/28/1047094328.db2.gz DMKVQPBWGBCQIY-NQIIRXRSSA-N 1 3 308.469 4.138 20 0 DIADHO C[C@@H]1C[C@@H](NC/C=C\c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379657677 1047097660 /nfs/dbraw/zinc/09/76/60/1047097660.db2.gz UJABLMIHCPDBHJ-GRTKDXNDSA-N 1 3 320.480 4.343 20 0 DIADHO C[C@@H]1C[C@@H](NC/C=C\c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379657677 1047097673 /nfs/dbraw/zinc/09/76/73/1047097673.db2.gz UJABLMIHCPDBHJ-GRTKDXNDSA-N 1 3 320.480 4.343 20 0 DIADHO CCCCCOc1ccc(C[NH2+]C[C@@H]2CCCN(CC)C2)cc1 ZINC001116018431 1047099972 /nfs/dbraw/zinc/09/99/72/1047099972.db2.gz CJXLIEXYJJXKIJ-IBGZPJMESA-N 1 3 318.505 4.077 20 0 DIADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCCC(F)(F)C3)CC2)C1 ZINC000536851613 1047112144 /nfs/dbraw/zinc/11/21/44/1047112144.db2.gz LRTRVCJNLLGLIS-OIISXLGYSA-N 1 3 314.464 4.197 20 0 DIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCCC(F)(F)C3)CC2)C1 ZINC000536851613 1047112148 /nfs/dbraw/zinc/11/21/48/1047112148.db2.gz LRTRVCJNLLGLIS-OIISXLGYSA-N 1 3 314.464 4.197 20 0 DIADHO CCSc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCN(CC)C1 ZINC000121822999 1047118147 /nfs/dbraw/zinc/11/81/47/1047118147.db2.gz SUGNKSMQPSFVOY-HOTGVXAUSA-N 1 3 306.519 4.181 20 0 DIADHO CC[N@@H+]1CCC[C@H](CN[C@@H]2CCCc3c(Cl)cccc32)C1 ZINC001116565044 1047156250 /nfs/dbraw/zinc/15/62/50/1047156250.db2.gz FXPOJBISSBAVGV-RDTXWAMCSA-N 1 3 306.881 4.039 20 0 DIADHO CC[N@H+]1CCC[C@H](CN[C@@H]2CCCc3c(Cl)cccc32)C1 ZINC001116565044 1047156258 /nfs/dbraw/zinc/15/62/58/1047156258.db2.gz FXPOJBISSBAVGV-RDTXWAMCSA-N 1 3 306.881 4.039 20 0 DIADHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(F)c1F ZINC000537352241 1047174586 /nfs/dbraw/zinc/17/45/86/1047174586.db2.gz RRPBXNVWXAQHFM-GJZGRUSLSA-N 1 3 310.432 4.270 20 0 DIADHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cccc(F)c1F ZINC000537352241 1047174589 /nfs/dbraw/zinc/17/45/89/1047174589.db2.gz RRPBXNVWXAQHFM-GJZGRUSLSA-N 1 3 310.432 4.270 20 0 DIADHO CC(C)[C@@H](NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000035054263 1047221422 /nfs/dbraw/zinc/22/14/22/1047221422.db2.gz OKKBZECLBJHAAW-GOSISDBHSA-N 1 3 308.897 4.500 20 0 DIADHO CC(C)C[C@@H](NCc1ccc(C[NH3+])cc1F)c1ccccc1 ZINC000650753159 1047280560 /nfs/dbraw/zinc/28/05/60/1047280560.db2.gz HZPRCFJNKDZECH-LJQANCHMSA-N 1 3 300.421 4.161 20 0 DIADHO CC[C@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000651211002 1047303560 /nfs/dbraw/zinc/30/35/60/1047303560.db2.gz YOBNALZMCVRDKL-FPOVZHCZSA-N 1 3 323.484 4.035 20 0 DIADHO CC[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000651211002 1047303571 /nfs/dbraw/zinc/30/35/71/1047303571.db2.gz YOBNALZMCVRDKL-FPOVZHCZSA-N 1 3 323.484 4.035 20 0 DIADHO CCC[N@@H+]1CC[C@H](CN[C@H](c2cccnc2)C2CCCCC2)C1 ZINC000652142778 1047344202 /nfs/dbraw/zinc/34/42/02/1047344202.db2.gz BICWZFMLXGVVLC-XLIONFOSSA-N 1 3 315.505 4.025 20 0 DIADHO CCC[N@H+]1CC[C@H](CN[C@H](c2cccnc2)C2CCCCC2)C1 ZINC000652142778 1047344214 /nfs/dbraw/zinc/34/42/14/1047344214.db2.gz BICWZFMLXGVVLC-XLIONFOSSA-N 1 3 315.505 4.025 20 0 DIADHO CC[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000044533149 1047346207 /nfs/dbraw/zinc/34/62/07/1047346207.db2.gz PNVXFJGXADDHQM-BLLLJJGKSA-N 1 3 315.288 4.376 20 0 DIADHO CC[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000044533149 1047346221 /nfs/dbraw/zinc/34/62/21/1047346221.db2.gz PNVXFJGXADDHQM-BLLLJJGKSA-N 1 3 315.288 4.376 20 0 DIADHO CC[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000044533153 1047346655 /nfs/dbraw/zinc/34/66/55/1047346655.db2.gz PNVXFJGXADDHQM-MLGOLLRUSA-N 1 3 315.288 4.376 20 0 DIADHO CC[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000044533153 1047346668 /nfs/dbraw/zinc/34/66/68/1047346668.db2.gz PNVXFJGXADDHQM-MLGOLLRUSA-N 1 3 315.288 4.376 20 0 DIADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(SC(F)F)cc2)cc1 ZINC000841030693 1047372874 /nfs/dbraw/zinc/37/28/74/1047372874.db2.gz ZACFBWQIEZRVQJ-LBPRGKRZSA-N 1 3 322.424 4.311 20 0 DIADHO C[C@H]1C[C@H](N(C)Cc2cccc(-c3ccccc3)c2)CC[N@@H+]1C ZINC000537618159 1047457191 /nfs/dbraw/zinc/45/71/91/1047457191.db2.gz OXBUZESXVQAPGE-LAUBAEHRSA-N 1 3 308.469 4.268 20 0 DIADHO C[C@H]1C[C@H](N(C)Cc2cccc(-c3ccccc3)c2)CC[N@H+]1C ZINC000537618159 1047457192 /nfs/dbraw/zinc/45/71/92/1047457192.db2.gz OXBUZESXVQAPGE-LAUBAEHRSA-N 1 3 308.469 4.268 20 0 DIADHO CN1CCC[C@H]1CC[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168337451 1047495776 /nfs/dbraw/zinc/49/57/76/1047495776.db2.gz NHLFESFDBUCUMJ-KVZIAJEVSA-N 1 3 320.908 4.440 20 0 DIADHO CN1CCCC[C@H]1CC[N@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000537632264 1047504593 /nfs/dbraw/zinc/50/45/93/1047504593.db2.gz FPOGJKPJARZVDR-NRFANRHFSA-N 1 3 323.484 4.055 20 0 DIADHO CN1CCCC[C@H]1CC[N@@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000537632264 1047504596 /nfs/dbraw/zinc/50/45/96/1047504596.db2.gz FPOGJKPJARZVDR-NRFANRHFSA-N 1 3 323.484 4.055 20 0 DIADHO CC(C)C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccncc1 ZINC000842849730 1047507500 /nfs/dbraw/zinc/50/75/00/1047507500.db2.gz CRVJGFDSUDWNBL-SFHVURJKSA-N 1 3 303.494 4.021 20 0 DIADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(-c2ccccc2)cc1 ZINC000843054315 1047526250 /nfs/dbraw/zinc/52/62/50/1047526250.db2.gz VAEKWMRDXLHSOX-SEJPIABJSA-N 1 3 306.453 4.198 20 0 DIADHO Fc1ccc2c(c1)CC[C@H]2NCc1cccc(C[NH+]2CCCC2)c1 ZINC000122991467 1047567018 /nfs/dbraw/zinc/56/70/18/1047567018.db2.gz NFUAANGVSPHDRB-OAQYLSRUSA-N 1 3 324.443 4.199 20 0 DIADHO Cc1ccc(Oc2cccc(CN3CCCC[C@@H](C[NH3+])C3)c2)cc1 ZINC001206632129 1047568313 /nfs/dbraw/zinc/56/83/13/1047568313.db2.gz GKAGFQLGUMYHHH-IBGZPJMESA-N 1 3 324.468 4.348 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995256 1047612475 /nfs/dbraw/zinc/61/24/75/1047612475.db2.gz IHDIDRAYYLMRPY-RBUKOAKNSA-N 1 3 300.490 4.052 20 0 DIADHO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000666995057 1047613613 /nfs/dbraw/zinc/61/36/13/1047613613.db2.gz BNMZTMADPHZUEZ-NBYUQASBSA-N 1 3 312.501 4.223 20 0 DIADHO CCCCN1CCC([NH2+][C@H](CC)c2cc(C)ccc2OC)CC1 ZINC000537879922 1047642341 /nfs/dbraw/zinc/64/23/41/1047642341.db2.gz JFFJNSJNLMWYPK-LJQANCHMSA-N 1 3 318.505 4.309 20 0 DIADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCCC(F)(F)C2)CC1 ZINC000537956303 1047646993 /nfs/dbraw/zinc/64/69/93/1047646993.db2.gz KYNSLZZYCFDLOK-PVAVHDDUSA-N 1 3 314.464 4.197 20 0 DIADHO CC[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc2cc(OC)ccc2c1 ZINC000643521429 1047749143 /nfs/dbraw/zinc/74/91/43/1047749143.db2.gz HSXPREOZOKMXJD-UYAOXDASSA-N 1 3 312.457 4.031 20 0 DIADHO C[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc(-c2ccccc2F)s1 ZINC000643521834 1047751975 /nfs/dbraw/zinc/75/19/75/1047751975.db2.gz CZIFGUCRJKPWIP-KGLIPLIRSA-N 1 3 318.461 4.347 20 0 DIADHO C[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc(-c2ccccc2F)s1 ZINC000643521833 1047752104 /nfs/dbraw/zinc/75/21/04/1047752104.db2.gz CZIFGUCRJKPWIP-KBPBESRZSA-N 1 3 318.461 4.347 20 0 DIADHO CCCCN1CCC([NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000479192721 1047845423 /nfs/dbraw/zinc/84/54/23/1047845423.db2.gz MFTJOKSTLLRAPU-SFHVURJKSA-N 1 3 306.881 4.181 20 0 DIADHO [NH3+]Cc1ccccc1Nc1cccc(CN2CCCCC2)c1F ZINC001159735501 1047912060 /nfs/dbraw/zinc/91/20/60/1047912060.db2.gz VFAOCEDVCDFERO-UHFFFAOYSA-N 1 3 313.420 4.014 20 0 DIADHO CC[C@H](NC1CC[NH+](CC2CC2)CC1)c1cc(C)ccc1C ZINC001183336192 1047922359 /nfs/dbraw/zinc/92/23/59/1047922359.db2.gz NJVIRMQTCIDIAZ-FQEVSTJZSA-N 1 3 300.490 4.219 20 0 DIADHO Cc1cccc2[nH]c(CN3CCC(C[N@@H+](C)C(C)C)CC3)cc21 ZINC000667534892 1047951175 /nfs/dbraw/zinc/95/11/75/1047951175.db2.gz OMJIZGSCXJKLTM-UHFFFAOYSA-N 1 3 313.489 4.029 20 0 DIADHO Cc1cccc2[nH]c(CN3CCC(C[N@H+](C)C(C)C)CC3)cc21 ZINC000667534892 1047951181 /nfs/dbraw/zinc/95/11/81/1047951181.db2.gz OMJIZGSCXJKLTM-UHFFFAOYSA-N 1 3 313.489 4.029 20 0 DIADHO C[C@@]1([NH3+])CCCN(Cc2cc(-c3ccsc3)cs2)CC1 ZINC001205288097 1047992131 /nfs/dbraw/zinc/99/21/31/1047992131.db2.gz FYIPMLAMFHTEPV-MRXNPFEDSA-N 1 3 306.500 4.180 20 0 DIADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)Cc1ccccc1SC ZINC001184417807 1048037301 /nfs/dbraw/zinc/03/73/01/1048037301.db2.gz HPCXKFCMAZYFDL-HOTGVXAUSA-N 1 3 308.535 4.050 20 0 DIADHO Cc1cc(C)c(/C=C/C[NH2+]C2CCN(C(C)(C)C)CC2)c(C)c1 ZINC001199421342 1048064096 /nfs/dbraw/zinc/06/40/96/1048064096.db2.gz UZIRHUQIRNSIKT-BQYQJAHWSA-N 1 3 314.517 4.478 20 0 DIADHO Cc1ccccc1CN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001200980943 1048165296 /nfs/dbraw/zinc/16/52/96/1048165296.db2.gz QYRDLOHUWMUQQH-NGRWLJPCSA-N 1 3 322.496 4.241 20 0 DIADHO Cc1ccccc1CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001200980943 1048165301 /nfs/dbraw/zinc/16/53/01/1048165301.db2.gz QYRDLOHUWMUQQH-NGRWLJPCSA-N 1 3 322.496 4.241 20 0 DIADHO COc1ccc([C@@H](C)NCCCC[N@@H+]2CCCC[C@H]2C)c(F)c1 ZINC000480607465 1048195740 /nfs/dbraw/zinc/19/57/40/1048195740.db2.gz GDWSGMYXYKBFLI-HZPDHXFCSA-N 1 3 322.468 4.140 20 0 DIADHO COc1ccc([C@@H](C)NCCCC[N@H+]2CCCC[C@H]2C)c(F)c1 ZINC000480607465 1048195759 /nfs/dbraw/zinc/19/57/59/1048195759.db2.gz GDWSGMYXYKBFLI-HZPDHXFCSA-N 1 3 322.468 4.140 20 0 DIADHO Cc1csc2sc(CN3CCC[C@H](C[NH3+])[C@H]3C)c(C)c12 ZINC001205915151 1048226351 /nfs/dbraw/zinc/22/63/51/1048226351.db2.gz OQXYGXOFUPZBRQ-CHWSQXEVSA-N 1 3 308.516 4.139 20 0 DIADHO Cc1csc2sc(CN3CCC[C@@H](C[NH3+])[C@@H]3C)c(C)c12 ZINC001205915157 1048227101 /nfs/dbraw/zinc/22/71/01/1048227101.db2.gz OQXYGXOFUPZBRQ-STQMWFEESA-N 1 3 308.516 4.139 20 0 DIADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2CCCc2ccccc2)CC1 ZINC001175350930 1048271855 /nfs/dbraw/zinc/27/18/55/1048271855.db2.gz KANSTRJOSLQQSW-NRFANRHFSA-N 1 3 314.517 4.206 20 0 DIADHO CC1CCN(CC[C@@H]2CCC[N@H+]2CCCc2ccccc2)CC1 ZINC001175350930 1048271861 /nfs/dbraw/zinc/27/18/61/1048271861.db2.gz KANSTRJOSLQQSW-NRFANRHFSA-N 1 3 314.517 4.206 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-c3cccs3)cc2)C1 ZINC000481305067 1048358598 /nfs/dbraw/zinc/35/85/98/1048358598.db2.gz JZFMJXADGATFQX-HOTGVXAUSA-N 1 3 314.498 4.408 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(-c3cccs3)cc2)C1 ZINC000481305068 1048359122 /nfs/dbraw/zinc/35/91/22/1048359122.db2.gz JZFMJXADGATFQX-HZPDHXFCSA-N 1 3 314.498 4.408 20 0 DIADHO CCCCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCN(CC)C2)cc1 ZINC000481319101 1048364161 /nfs/dbraw/zinc/36/41/61/1048364161.db2.gz FKFLOCGKPVSDIU-ZWKOTPCHSA-N 1 3 318.505 4.248 20 0 DIADHO CCc1ccc([C@@H](CC)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000481332601 1048369957 /nfs/dbraw/zinc/36/99/57/1048369957.db2.gz NTBKVLGDPMCEEP-HXUWFJFHSA-N 1 3 300.490 4.164 20 0 DIADHO C[C@H]([NH3+])c1ccc2c(ccn2-c2cc(N3CCCCC3)ccn2)c1 ZINC001162902282 1048381519 /nfs/dbraw/zinc/38/15/19/1048381519.db2.gz HIRBDHDLUUJMMT-HNNXBMFYSA-N 1 3 320.440 4.036 20 0 DIADHO C[C@@H](NC1CC[NH+](C2CCC2)CC1)c1cc2c(s1)CCCC2 ZINC000481432590 1048401890 /nfs/dbraw/zinc/40/18/90/1048401890.db2.gz KSMHEYWCQKATFI-CQSZACIVSA-N 1 3 318.530 4.294 20 0 DIADHO CCN(CC)CCC[N@@H+]1CC[C@H](c2ccc(C)cc2)C1(C)C ZINC001175714085 1048421902 /nfs/dbraw/zinc/42/19/02/1048421902.db2.gz FMYJTZZUERDBGF-LJQANCHMSA-N 1 3 302.506 4.295 20 0 DIADHO CCN(CC)CCC[N@H+]1CC[C@H](c2ccc(C)cc2)C1(C)C ZINC001175714085 1048421907 /nfs/dbraw/zinc/42/19/07/1048421907.db2.gz FMYJTZZUERDBGF-LJQANCHMSA-N 1 3 302.506 4.295 20 0 DIADHO Cc1ccc(C[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C2CC2)cc1 ZINC000482321606 1048588749 /nfs/dbraw/zinc/58/87/49/1048588749.db2.gz PTWVKQNZXZQYPW-CTNGQTDRSA-N 1 3 314.517 4.026 20 0 DIADHO Cc1ccc(C[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C2CC2)cc1 ZINC000482321608 1048588922 /nfs/dbraw/zinc/58/89/22/1048588922.db2.gz PTWVKQNZXZQYPW-FPOVZHCZSA-N 1 3 314.517 4.026 20 0 DIADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000482454165 1048610751 /nfs/dbraw/zinc/61/07/51/1048610751.db2.gz WQOBJAKRYHJICS-RBBKRZOGSA-N 1 3 322.496 4.292 20 0 DIADHO CC[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000482454165 1048610754 /nfs/dbraw/zinc/61/07/54/1048610754.db2.gz WQOBJAKRYHJICS-RBBKRZOGSA-N 1 3 322.496 4.292 20 0 DIADHO CC[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000482454165 1048610760 /nfs/dbraw/zinc/61/07/60/1048610760.db2.gz WQOBJAKRYHJICS-RBBKRZOGSA-N 1 3 322.496 4.292 20 0 DIADHO CC[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000482454163 1048612034 /nfs/dbraw/zinc/61/20/34/1048612034.db2.gz WQOBJAKRYHJICS-IRLDBZIGSA-N 1 3 322.496 4.292 20 0 DIADHO CC[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000482454163 1048612040 /nfs/dbraw/zinc/61/20/40/1048612040.db2.gz WQOBJAKRYHJICS-IRLDBZIGSA-N 1 3 322.496 4.292 20 0 DIADHO CC[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000482454163 1048612042 /nfs/dbraw/zinc/61/20/42/1048612042.db2.gz WQOBJAKRYHJICS-IRLDBZIGSA-N 1 3 322.496 4.292 20 0 DIADHO COc1ccc([C@H](C)[NH2+]CCC2CC2)cc1CN1CCCCC1 ZINC000775412738 1048785796 /nfs/dbraw/zinc/78/57/96/1048785796.db2.gz PCEFQFGIOKUGSV-INIZCTEOSA-N 1 3 316.489 4.132 20 0 DIADHO c1ccc(CN2C[C@@H]3C[C@H]2C[C@H]([NH2+]CC[C@H]2CC=CCC2)C3)cc1 ZINC000716654381 1048786440 /nfs/dbraw/zinc/78/64/40/1048786440.db2.gz GAEZJDCFMPDMHM-UVUJQTEASA-N 1 3 324.512 4.376 20 0 DIADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(-c2ccccc2)c1 ZINC000483721996 1048845813 /nfs/dbraw/zinc/84/58/13/1048845813.db2.gz CRAYOZYNXIGAMA-FIKGOQFSSA-N 1 3 308.469 4.487 20 0 DIADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(-c2ccccc2)c1 ZINC000483721996 1048845830 /nfs/dbraw/zinc/84/58/30/1048845830.db2.gz CRAYOZYNXIGAMA-FIKGOQFSSA-N 1 3 308.469 4.487 20 0 DIADHO CCCCCOc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000483726133 1048846474 /nfs/dbraw/zinc/84/64/74/1048846474.db2.gz MCFLMTDWMRQREL-JENIJYKNSA-N 1 3 318.505 4.389 20 0 DIADHO CCCCCOc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000483726133 1048846498 /nfs/dbraw/zinc/84/64/98/1048846498.db2.gz MCFLMTDWMRQREL-JENIJYKNSA-N 1 3 318.505 4.389 20 0 DIADHO CCCCCOc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000483726131 1048847202 /nfs/dbraw/zinc/84/72/02/1048847202.db2.gz MCFLMTDWMRQREL-AOIWGVFYSA-N 1 3 318.505 4.389 20 0 DIADHO CCCCCOc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000483726131 1048847216 /nfs/dbraw/zinc/84/72/16/1048847216.db2.gz MCFLMTDWMRQREL-AOIWGVFYSA-N 1 3 318.505 4.389 20 0 DIADHO Cc1ccc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(Cl)c1 ZINC001177289702 1048858485 /nfs/dbraw/zinc/85/84/85/1048858485.db2.gz IXZVJOIKURWLSR-IAGOWNOFSA-N 1 3 322.924 4.496 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000484467467 1048939876 /nfs/dbraw/zinc/93/98/76/1048939876.db2.gz OWALVMZLZIUIQQ-APHBMKBZSA-N 1 3 314.395 4.229 20 0 DIADHO CSCc1ccc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC001177822565 1048942669 /nfs/dbraw/zinc/94/26/69/1048942669.db2.gz MKERIWVKUZAARM-KRWDZBQOSA-N 1 3 308.535 4.006 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000484497387 1048964668 /nfs/dbraw/zinc/96/46/68/1048964668.db2.gz ZWBCTXMSDXDZAH-MAZHCROVSA-N 1 3 314.395 4.229 20 0 DIADHO C1CC(C2CCC([NH2+]C3CCN(C4CCCC4)CC3)CC2)C1 ZINC001177949461 1048968151 /nfs/dbraw/zinc/96/81/51/1048968151.db2.gz QUFIBLOWEBHCFC-UHFFFAOYSA-N 1 3 304.522 4.342 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2ccc(OC)c(C)c2C)CC1 ZINC001203726816 1048982662 /nfs/dbraw/zinc/98/26/62/1048982662.db2.gz LDCMEVAMEJLKCW-UHFFFAOYSA-N 1 3 318.505 4.008 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2ccc(OC)c(C)c2C)CC1 ZINC001203726816 1048982671 /nfs/dbraw/zinc/98/26/71/1048982671.db2.gz LDCMEVAMEJLKCW-UHFFFAOYSA-N 1 3 318.505 4.008 20 0 DIADHO Cc1cc([C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C2CC2)ccc1F ZINC001178218720 1049005137 /nfs/dbraw/zinc/00/51/37/1049005137.db2.gz XLLZCQBYNMYGNU-FUHWJXTLSA-N 1 3 304.453 4.048 20 0 DIADHO Cc1cc([C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)ccc1F ZINC001178218720 1049005145 /nfs/dbraw/zinc/00/51/45/1049005145.db2.gz XLLZCQBYNMYGNU-FUHWJXTLSA-N 1 3 304.453 4.048 20 0 DIADHO CN1CC[C@]2(CC[N@H+](Cc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC001203943633 1049036822 /nfs/dbraw/zinc/03/68/22/1049036822.db2.gz IKQCARIDJNJFQU-NRFANRHFSA-N 1 3 322.452 4.007 20 0 DIADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC001203943633 1049036835 /nfs/dbraw/zinc/03/68/35/1049036835.db2.gz IKQCARIDJNJFQU-NRFANRHFSA-N 1 3 322.452 4.007 20 0 DIADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(C(F)F)c(F)c2)cc1 ZINC000904351429 1049038150 /nfs/dbraw/zinc/03/81/50/1049038150.db2.gz YGMYRITZALEUFG-NSHDSACASA-N 1 3 308.347 4.073 20 0 DIADHO Cc1ccc([C@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000195132167 1049069531 /nfs/dbraw/zinc/06/95/31/1049069531.db2.gz YMYSLWZTYDQSKP-FUHWJXTLSA-N 1 3 314.498 4.229 20 0 DIADHO Cc1ccc([C@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000195132167 1049069544 /nfs/dbraw/zinc/06/95/44/1049069544.db2.gz YMYSLWZTYDQSKP-FUHWJXTLSA-N 1 3 314.498 4.229 20 0 DIADHO c1ccc2c(C[N@H+]3CCCC[C@@H]3CCN3CCCC3)ccnc2c1 ZINC001204086540 1049078593 /nfs/dbraw/zinc/07/85/93/1049078593.db2.gz DBPMOIJYZAXWJI-LJQANCHMSA-N 1 3 323.484 4.075 20 0 DIADHO c1ccc2c(C[N@@H+]3CCCC[C@@H]3CCN3CCCC3)ccnc2c1 ZINC001204086540 1049078599 /nfs/dbraw/zinc/07/85/99/1049078599.db2.gz DBPMOIJYZAXWJI-LJQANCHMSA-N 1 3 323.484 4.075 20 0 DIADHO CC(C)[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000716710926 1049144591 /nfs/dbraw/zinc/14/45/91/1049144591.db2.gz YXUDZBZPOLGKJQ-ZIBCJSCZSA-N 1 3 312.501 4.064 20 0 DIADHO CC(C)C1CCC(C[NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC001179266931 1049151099 /nfs/dbraw/zinc/15/10/99/1049151099.db2.gz ZWRQZVANFCCUSO-SKINQDTJSA-N 1 3 306.538 4.160 20 0 DIADHO CC[NH+](CC)CCCN1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 ZINC001193068247 1049170500 /nfs/dbraw/zinc/17/05/00/1049170500.db2.gz JHFFPQNFYYGNOT-FQEVSTJZSA-N 1 3 316.533 4.406 20 0 DIADHO CCN(CC)CCC[N@@H+]1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 ZINC001193068247 1049170505 /nfs/dbraw/zinc/17/05/05/1049170505.db2.gz JHFFPQNFYYGNOT-FQEVSTJZSA-N 1 3 316.533 4.406 20 0 DIADHO CCN(CC)CCC[N@H+]1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 ZINC001193068247 1049170513 /nfs/dbraw/zinc/17/05/13/1049170513.db2.gz JHFFPQNFYYGNOT-FQEVSTJZSA-N 1 3 316.533 4.406 20 0 DIADHO C[NH+](C)CC[C@@H](NC1CCC(C(C)(C)C)CC1)c1cccnc1 ZINC001179636428 1049190368 /nfs/dbraw/zinc/19/03/68/1049190368.db2.gz GAYNIAWHWSVUEK-CTWPCTMYSA-N 1 3 317.521 4.269 20 0 DIADHO CC[C@@H]1CCC[C@@H](N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC001179637147 1049191245 /nfs/dbraw/zinc/19/12/45/1049191245.db2.gz UFLDWONOQPLKHF-BHIYHBOVSA-N 1 3 303.494 4.023 20 0 DIADHO COC1(CNC2CC[NH+](C3CCCCC3)CC2)CCCCCC1 ZINC001179752574 1049203964 /nfs/dbraw/zinc/20/39/64/1049203964.db2.gz VWQLSICUQDHKQU-UHFFFAOYSA-N 1 3 322.537 4.113 20 0 DIADHO COC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCCCCC1 ZINC001179752574 1049203974 /nfs/dbraw/zinc/20/39/74/1049203974.db2.gz VWQLSICUQDHKQU-UHFFFAOYSA-N 1 3 322.537 4.113 20 0 DIADHO COc1c(C)cc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1Cl ZINC000858491101 1049264850 /nfs/dbraw/zinc/26/48/50/1049264850.db2.gz YCOPIGDDKHYMMA-LSDHHAIUSA-N 1 3 324.896 4.040 20 0 DIADHO CCn1c2ccccc2c2cc(C[N@@H+]3CCCC[C@H]3CN)ccc21 ZINC001204925000 1049313507 /nfs/dbraw/zinc/31/35/07/1049313507.db2.gz IKRJTVWHDALCRP-KRWDZBQOSA-N 1 3 321.468 4.128 20 0 DIADHO CCn1c2ccccc2c2cc(C[N@H+]3CCCC[C@H]3CN)ccc21 ZINC001204925000 1049313518 /nfs/dbraw/zinc/31/35/18/1049313518.db2.gz IKRJTVWHDALCRP-KRWDZBQOSA-N 1 3 321.468 4.128 20 0 DIADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001204937432 1049316364 /nfs/dbraw/zinc/31/63/64/1049316364.db2.gz JUYVYUIWLZIOFB-NXNFSMPISA-N 1 3 312.501 4.065 20 0 DIADHO CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001180300785 1049326766 /nfs/dbraw/zinc/32/67/66/1049326766.db2.gz DVKAPIRESFAUMK-HSALFYBXSA-N 1 3 314.517 4.313 20 0 DIADHO Cc1ccc(N(C)c2ccc(CN3CCC[C@H]([NH3+])CC3)cc2)cc1 ZINC001205102411 1049377353 /nfs/dbraw/zinc/37/73/53/1049377353.db2.gz RQSKRTUNRYETHZ-IBGZPJMESA-N 1 3 323.484 4.076 20 0 DIADHO [NH3+][C@H]1CCCN(Cc2ccc(-c3ccccc3Cl)cc2)CC1 ZINC001205109929 1049381610 /nfs/dbraw/zinc/38/16/10/1049381610.db2.gz NHFWJNDDQTZKJQ-KRWDZBQOSA-N 1 3 314.860 4.320 20 0 DIADHO CC(C)CC[NH+]1CCC(N[C@@]2(C)CCCc3ccccc32)CC1 ZINC001180780581 1049406522 /nfs/dbraw/zinc/40/65/22/1049406522.db2.gz VALSNDHNALRBHT-NRFANRHFSA-N 1 3 314.517 4.338 20 0 DIADHO CCCCCCOc1ccc(CN2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205266790 1049421837 /nfs/dbraw/zinc/42/18/37/1049421837.db2.gz XWTMGGVYQLBSIK-HXUWFJFHSA-N 1 3 318.505 4.349 20 0 DIADHO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC001181427860 1049473100 /nfs/dbraw/zinc/47/31/00/1049473100.db2.gz PEWNEWJRIVFUQG-SFHVURJKSA-N 1 3 322.924 4.373 20 0 DIADHO CCCC[N@H+](C)CC1CCN(c2ccnc3ccccc32)CC1 ZINC000486919036 1049492712 /nfs/dbraw/zinc/49/27/12/1049492712.db2.gz DHTRKKBUQIZAJA-UHFFFAOYSA-N 1 3 311.473 4.183 20 0 DIADHO CCCC[N@@H+](C)CC1CCN(c2ccnc3ccccc32)CC1 ZINC000486919036 1049492722 /nfs/dbraw/zinc/49/27/22/1049492722.db2.gz DHTRKKBUQIZAJA-UHFFFAOYSA-N 1 3 311.473 4.183 20 0 DIADHO CC(C)(C[NH2+]C1CC(Sc2ccccc2)C1)CN1CCCC1 ZINC001205645621 1049520343 /nfs/dbraw/zinc/52/03/43/1049520343.db2.gz MEKHZGQVKRODQK-UHFFFAOYSA-N 1 3 318.530 4.021 20 0 DIADHO Cc1cc(CN2CC[C@@H](C)[C@H](C[NH3+])CC2)c(Cl)cc1Cl ZINC001205652597 1049524571 /nfs/dbraw/zinc/52/45/71/1049524571.db2.gz QAYXVSOVEPXOAW-YPMHNXCESA-N 1 3 315.288 4.109 20 0 DIADHO CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CCC[C@@H](CN)[C@@H]2C)cc1 ZINC001205902245 1049596278 /nfs/dbraw/zinc/59/62/78/1049596278.db2.gz JDQGJARCZHTMEK-UWVAXJGDSA-N 1 3 302.506 4.048 20 0 DIADHO CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCC[C@@H](CN)[C@@H]2C)cc1 ZINC001205902245 1049596292 /nfs/dbraw/zinc/59/62/92/1049596292.db2.gz JDQGJARCZHTMEK-UWVAXJGDSA-N 1 3 302.506 4.048 20 0 DIADHO CCCCCCOc1ccc(CN2CCC[C@@H](C[NH3+])[C@H]2C)cc1 ZINC001205904510 1049597053 /nfs/dbraw/zinc/59/70/53/1049597053.db2.gz VQMRIFVGQLSADU-MJGOQNOKSA-N 1 3 318.505 4.205 20 0 DIADHO Cc1ccccc1-c1ccccc1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001206004860 1049626058 /nfs/dbraw/zinc/62/60/58/1049626058.db2.gz HXBCYZBMPIJRCR-JOCHJYFZSA-N 1 3 320.480 4.190 20 0 DIADHO Cc1ccccc1-c1ccccc1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001206004860 1049626064 /nfs/dbraw/zinc/62/60/64/1049626064.db2.gz HXBCYZBMPIJRCR-JOCHJYFZSA-N 1 3 320.480 4.190 20 0 DIADHO Cc1ccc(Cl)c(CN2CCC[C@H](C[NH3+])[C@@H](C)C2)c1Cl ZINC001206027320 1049632807 /nfs/dbraw/zinc/63/28/07/1049632807.db2.gz WDQQWDHGKGDYIU-QWHCGFSZSA-N 1 3 315.288 4.109 20 0 DIADHO CC(C)c1ccc2c(c1)[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC000774265379 1049639763 /nfs/dbraw/zinc/63/97/63/1049639763.db2.gz DQWCRTBAIDJEGU-QYYYHEGRSA-N 1 3 312.501 4.402 20 0 DIADHO CC(C)c1ccc2c(c1)[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC000774265379 1049639769 /nfs/dbraw/zinc/63/97/69/1049639769.db2.gz DQWCRTBAIDJEGU-QYYYHEGRSA-N 1 3 312.501 4.402 20 0 DIADHO CC(C)C[C@@H](C[NH+]1CCCC1)NCc1ccc2ccccc2c1 ZINC001202512870 1049646648 /nfs/dbraw/zinc/64/66/48/1049646648.db2.gz FBKLQZDCYFHQEO-NRFANRHFSA-N 1 3 310.485 4.440 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)CS1 ZINC000488432029 1049653703 /nfs/dbraw/zinc/65/37/03/1049653703.db2.gz IFZLVADUWNFWKD-QZTJIDSGSA-N 1 3 324.578 4.151 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H](NC2CC[NH+](CC3CCCC3)CC2)CS1 ZINC000488432029 1049653707 /nfs/dbraw/zinc/65/37/07/1049653707.db2.gz IFZLVADUWNFWKD-QZTJIDSGSA-N 1 3 324.578 4.151 20 0 DIADHO C[C@H]1CNCCC[N@@H+]1Cc1cccc2c3ccccc3sc21 ZINC001206257425 1049691140 /nfs/dbraw/zinc/69/11/40/1049691140.db2.gz DYBMDZSOTSKFIL-AWEZNQCLSA-N 1 3 310.466 4.238 20 0 DIADHO C[C@H]1CNCCC[N@H+]1Cc1cccc2c3ccccc3sc21 ZINC001206257425 1049691154 /nfs/dbraw/zinc/69/11/54/1049691154.db2.gz DYBMDZSOTSKFIL-AWEZNQCLSA-N 1 3 310.466 4.238 20 0 DIADHO CC1CCN(CC[C@H]2CCC[N@@H+]2CC2CC3(CCC3)C2)CC1 ZINC001196936024 1049705887 /nfs/dbraw/zinc/70/58/87/1049705887.db2.gz OMFWLNLGWRGHGV-LJQANCHMSA-N 1 3 304.522 4.153 20 0 DIADHO CC1CCN(CC[C@H]2CCC[N@H+]2CC2CC3(CCC3)C2)CC1 ZINC001196936024 1049705894 /nfs/dbraw/zinc/70/58/94/1049705894.db2.gz OMFWLNLGWRGHGV-LJQANCHMSA-N 1 3 304.522 4.153 20 0 DIADHO CCc1ccccc1CN1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001196935683 1049706547 /nfs/dbraw/zinc/70/65/47/1049706547.db2.gz KVQAQODZNLYEAA-NRFANRHFSA-N 1 3 314.517 4.335 20 0 DIADHO CCc1ccccc1C[N@@H+]1CCC[C@H]1CCN1CCC(C)CC1 ZINC001196935683 1049706556 /nfs/dbraw/zinc/70/65/56/1049706556.db2.gz KVQAQODZNLYEAA-NRFANRHFSA-N 1 3 314.517 4.335 20 0 DIADHO CCc1ccccc1C[N@H+]1CCC[C@H]1CCN1CCC(C)CC1 ZINC001196935683 1049706569 /nfs/dbraw/zinc/70/65/69/1049706569.db2.gz KVQAQODZNLYEAA-NRFANRHFSA-N 1 3 314.517 4.335 20 0 DIADHO Cc1ccc2c(ccc(C)c2C[NH+]2CCC(C)(N(C)C)CC2)c1 ZINC001196981377 1049710686 /nfs/dbraw/zinc/71/06/86/1049710686.db2.gz IOGQYNMJNIONGW-UHFFFAOYSA-N 1 3 310.485 4.373 20 0 DIADHO CN(C)C1(C)CC[NH+](CC2CCC(c3ccccc3)CC2)CC1 ZINC001196980036 1049711962 /nfs/dbraw/zinc/71/19/62/1049711962.db2.gz BGKDVLLIBINTCD-UHFFFAOYSA-N 1 3 314.517 4.377 20 0 DIADHO COc1cc(C)c(CN2CCCC[C@@](C)(C[NH3+])C2)cc1C(C)C ZINC001206563908 1049757208 /nfs/dbraw/zinc/75/72/08/1049757208.db2.gz KGOMZELWSKXIPH-FQEVSTJZSA-N 1 3 318.505 4.078 20 0 DIADHO CCc1cc(CN(C(C)C)[C@H]2CCC[NH2+]CC2)ccc1Cl ZINC001206599734 1049766368 /nfs/dbraw/zinc/76/63/68/1049766368.db2.gz WOOSTCVRSGYYIJ-KRWDZBQOSA-N 1 3 308.897 4.255 20 0 DIADHO CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CCCC[C@@H](CN)C1 ZINC001206617027 1049771347 /nfs/dbraw/zinc/77/13/47/1049771347.db2.gz YEKBHTCFEBAARO-HNNXBMFYSA-N 1 3 313.489 4.026 20 0 DIADHO CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCCC[C@@H](CN)C1 ZINC001206617027 1049771354 /nfs/dbraw/zinc/77/13/54/1049771354.db2.gz YEKBHTCFEBAARO-HNNXBMFYSA-N 1 3 313.489 4.026 20 0 DIADHO Cc1c(C[N@@H+]2CCCC[C@@H](CN)C2)cccc1-c1ccccc1 ZINC001206640987 1049773382 /nfs/dbraw/zinc/77/33/82/1049773382.db2.gz QPVBCTZZIPBWDD-SFHVURJKSA-N 1 3 308.469 4.223 20 0 DIADHO Cc1c(C[N@H+]2CCCC[C@@H](CN)C2)cccc1-c1ccccc1 ZINC001206640987 1049773392 /nfs/dbraw/zinc/77/33/92/1049773392.db2.gz QPVBCTZZIPBWDD-SFHVURJKSA-N 1 3 308.469 4.223 20 0 DIADHO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1Cc1ccc2c(c1)CCCC2 ZINC001206800109 1049801051 /nfs/dbraw/zinc/80/10/51/1049801051.db2.gz HWPOLKGGFPJEML-UWJYYQICSA-N 1 3 314.517 4.118 20 0 DIADHO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1Cc1ccc2c(c1)CCCC2 ZINC001206800105 1049801154 /nfs/dbraw/zinc/80/11/54/1049801154.db2.gz HWPOLKGGFPJEML-UTKZUKDTSA-N 1 3 314.517 4.118 20 0 DIADHO C[C@H]1CC[C@@H](C[NH3+])CN1Cc1ccc(C2CCCCC2)cc1 ZINC001206807223 1049802952 /nfs/dbraw/zinc/80/29/52/1049802952.db2.gz HTSIFBYPYNWKEK-WMZOPIPTSA-N 1 3 300.490 4.294 20 0 DIADHO CC(C)[C@H](CSc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000490145563 1049803581 /nfs/dbraw/zinc/80/35/81/1049803581.db2.gz VFVVWEQAKVMYSV-SCTDSRPQSA-N 1 3 318.530 4.020 20 0 DIADHO CC(C)[C@H](CSc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000490145563 1049803584 /nfs/dbraw/zinc/80/35/84/1049803584.db2.gz VFVVWEQAKVMYSV-SCTDSRPQSA-N 1 3 318.530 4.020 20 0 DIADHO Cc1cc(Oc2ccccc2)ccc1CN1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206808149 1049804276 /nfs/dbraw/zinc/80/42/76/1049804276.db2.gz JVUSKSYXGIKUBY-QZTJIDSGSA-N 1 3 324.468 4.347 20 0 DIADHO C[C@@H]1CC[C@H](C[NH3+])CN1Cc1ccc(C2CCCCC2)cc1 ZINC001206807222 1049804721 /nfs/dbraw/zinc/80/47/21/1049804721.db2.gz HTSIFBYPYNWKEK-SJLPKXTDSA-N 1 3 300.490 4.294 20 0 DIADHO Cc1cc(CN2C[C@H](C[NH3+])CC[C@@H]2C)ccc1Oc1ccccc1 ZINC001206806212 1049804829 /nfs/dbraw/zinc/80/48/29/1049804829.db2.gz FZLPXXKZQJRKDS-HKUYNNGSSA-N 1 3 324.468 4.347 20 0 DIADHO C[NH+]1CCC(CCN2CCC[C@@H]2c2ccc(Cl)s2)CC1 ZINC001207484300 1049897759 /nfs/dbraw/zinc/89/77/59/1049897759.db2.gz JEDZZZRADYWJQF-CQSZACIVSA-N 1 3 312.910 4.270 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCCc1cccc(F)c1 ZINC001207605931 1049915288 /nfs/dbraw/zinc/91/52/88/1049915288.db2.gz YICJMJXOEXZGKN-PMACEKPBSA-N 1 3 318.480 4.097 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCCc1cccc(F)c1 ZINC001207605931 1049915291 /nfs/dbraw/zinc/91/52/91/1049915291.db2.gz YICJMJXOEXZGKN-PMACEKPBSA-N 1 3 318.480 4.097 20 0 DIADHO c1ccc(CCCC[N@@H+]2CCCC[C@H]2CCN2CCCC2)cc1 ZINC001207610795 1049917176 /nfs/dbraw/zinc/91/71/76/1049917176.db2.gz NFQKEYYSOCNHQR-NRFANRHFSA-N 1 3 314.517 4.350 20 0 DIADHO c1ccc(CCCC[N@H+]2CCCC[C@H]2CCN2CCCC2)cc1 ZINC001207610795 1049917184 /nfs/dbraw/zinc/91/71/84/1049917184.db2.gz NFQKEYYSOCNHQR-NRFANRHFSA-N 1 3 314.517 4.350 20 0 DIADHO CN(C)CC(C)(C)C[N@H+](C)Cc1ccc(C2CC2)c(C2CC2)c1 ZINC001207739039 1049932800 /nfs/dbraw/zinc/93/28/00/1049932800.db2.gz VQKHQLUBINLGOG-UHFFFAOYSA-N 1 3 314.517 4.461 20 0 DIADHO CN(C)CC(C)(C)C[N@@H+](C)Cc1ccc(C2CC2)c(C2CC2)c1 ZINC001207739039 1049932803 /nfs/dbraw/zinc/93/28/03/1049932803.db2.gz VQKHQLUBINLGOG-UHFFFAOYSA-N 1 3 314.517 4.461 20 0 DIADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCC(N(C)C)CC1 ZINC001207914048 1049954071 /nfs/dbraw/zinc/95/40/71/1049954071.db2.gz QUOHKZFEVTVUEP-QGZVFWFLSA-N 1 3 316.533 4.189 20 0 DIADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)CN1CCC([NH+](C)C)CC1 ZINC001207914048 1049954086 /nfs/dbraw/zinc/95/40/86/1049954086.db2.gz QUOHKZFEVTVUEP-QGZVFWFLSA-N 1 3 316.533 4.189 20 0 DIADHO C[C@@H](C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C)c1ccccc1 ZINC001207912072 1049954833 /nfs/dbraw/zinc/95/48/33/1049954833.db2.gz NDRPOGLQHIKLSE-YSIASYRMSA-N 1 3 300.490 4.129 20 0 DIADHO C[C@@H](C[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C)c1ccccc1 ZINC001207912072 1049954836 /nfs/dbraw/zinc/95/48/36/1049954836.db2.gz NDRPOGLQHIKLSE-YSIASYRMSA-N 1 3 300.490 4.129 20 0 DIADHO Cc1ccc(CCCN(C)C2CC[NH+](C3CCCCC3)CC2)o1 ZINC001207948947 1049963357 /nfs/dbraw/zinc/96/33/57/1049963357.db2.gz GTHRPUBXMLFEBU-UHFFFAOYSA-N 1 3 318.505 4.250 20 0 DIADHO Cc1ccc(CCC[N@@H+](C)C2CCN(C3CCCCC3)CC2)o1 ZINC001207948947 1049963361 /nfs/dbraw/zinc/96/33/61/1049963361.db2.gz GTHRPUBXMLFEBU-UHFFFAOYSA-N 1 3 318.505 4.250 20 0 DIADHO Cc1ccc(CCC[N@H+](C)C2CCN(C3CCCCC3)CC2)o1 ZINC001207948947 1049963366 /nfs/dbraw/zinc/96/33/66/1049963366.db2.gz GTHRPUBXMLFEBU-UHFFFAOYSA-N 1 3 318.505 4.250 20 0 DIADHO CCCC[NH+]1CCC(N(C)CC[C@@H](C)c2ccc(C)o2)CC1 ZINC001208165609 1049979719 /nfs/dbraw/zinc/97/97/19/1049979719.db2.gz SEZGPHGUTXCICI-MRXNPFEDSA-N 1 3 306.494 4.278 20 0 DIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1cccc(C2CC2)c1 ZINC000572111802 1049994671 /nfs/dbraw/zinc/99/46/71/1049994671.db2.gz UHQVCDNRHIQWEF-KGLIPLIRSA-N 1 3 309.457 4.138 20 0 DIADHO CN1CC=C(Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC001208910420 1050022195 /nfs/dbraw/zinc/02/21/95/1050022195.db2.gz OZRAIIUKQXGZDU-UHFFFAOYSA-N 1 3 313.489 4.082 20 0 DIADHO CN1CC=C(Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC001208910420 1050022201 /nfs/dbraw/zinc/02/22/01/1050022201.db2.gz OZRAIIUKQXGZDU-UHFFFAOYSA-N 1 3 313.489 4.082 20 0 DIADHO Cc1ccc(CN(C)C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001208931641 1050025438 /nfs/dbraw/zinc/02/54/38/1050025438.db2.gz BTIPXKGABOVZQU-JOCHJYFZSA-N 1 3 322.496 4.339 20 0 DIADHO Cc1ccc(CN(C)C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001208931641 1050025444 /nfs/dbraw/zinc/02/54/44/1050025444.db2.gz BTIPXKGABOVZQU-JOCHJYFZSA-N 1 3 322.496 4.339 20 0 DIADHO Cc1cccc2c1C[N@H+](C[C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001208930676 1050025943 /nfs/dbraw/zinc/02/59/43/1050025943.db2.gz CKDQARRATBIUGF-FQEVSTJZSA-N 1 3 320.480 4.223 20 0 DIADHO Cc1cccc2c1C[N@@H+](C[C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001208930676 1050025947 /nfs/dbraw/zinc/02/59/47/1050025947.db2.gz CKDQARRATBIUGF-FQEVSTJZSA-N 1 3 320.480 4.223 20 0 DIADHO C[C@H]1CN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208940340 1050028026 /nfs/dbraw/zinc/02/80/26/1050028026.db2.gz BOEMXHYJNKKXSU-AZUAARDMSA-N 1 3 320.480 4.128 20 0 DIADHO C[C@H]1CN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208940340 1050028032 /nfs/dbraw/zinc/02/80/32/1050028032.db2.gz BOEMXHYJNKKXSU-AZUAARDMSA-N 1 3 320.480 4.128 20 0 DIADHO c1ccc(C[N@H+]2CCC[C@H](CN3CC[C@H]4CCC[C@H]4C3)C2)cc1 ZINC001208938161 1050028756 /nfs/dbraw/zinc/02/87/56/1050028756.db2.gz VIBFIHNOEMNUJX-HBMCJLEFSA-N 1 3 312.501 4.021 20 0 DIADHO c1ccc(C[N@@H+]2CCC[C@H](CN3CC[C@H]4CCC[C@H]4C3)C2)cc1 ZINC001208938161 1050028759 /nfs/dbraw/zinc/02/87/59/1050028759.db2.gz VIBFIHNOEMNUJX-HBMCJLEFSA-N 1 3 312.501 4.021 20 0 DIADHO c1ccc(CN2CCC[C@H](C[N@@H+]3CC[C@H]4CCC[C@H]4C3)C2)cc1 ZINC001208938161 1050028766 /nfs/dbraw/zinc/02/87/66/1050028766.db2.gz VIBFIHNOEMNUJX-HBMCJLEFSA-N 1 3 312.501 4.021 20 0 DIADHO c1ccc(CN2CCC[C@H](C[N@H+]3CC[C@H]4CCC[C@H]4C3)C2)cc1 ZINC001208938161 1050028773 /nfs/dbraw/zinc/02/87/73/1050028773.db2.gz VIBFIHNOEMNUJX-HBMCJLEFSA-N 1 3 312.501 4.021 20 0 DIADHO CCN(Cc1ccc(C)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208951799 1050029293 /nfs/dbraw/zinc/02/92/93/1050029293.db2.gz BOAFFIKUTHRTMR-JOCHJYFZSA-N 1 3 322.496 4.339 20 0 DIADHO CCN(Cc1ccc(C)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208951799 1050029297 /nfs/dbraw/zinc/02/92/97/1050029297.db2.gz BOAFFIKUTHRTMR-JOCHJYFZSA-N 1 3 322.496 4.339 20 0 DIADHO C[C@H]1c2ccccc2CCN1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208949924 1050030176 /nfs/dbraw/zinc/03/01/76/1050030176.db2.gz ZPWAFVWLGNWVMX-AZUAARDMSA-N 1 3 320.480 4.128 20 0 DIADHO C[C@H]1c2ccccc2CCN1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208949924 1050030180 /nfs/dbraw/zinc/03/01/80/1050030180.db2.gz ZPWAFVWLGNWVMX-AZUAARDMSA-N 1 3 320.480 4.128 20 0 DIADHO Cc1cccc(CN(C2CC2)C2CC[NH+](CC3CC3)CC2)c1C ZINC001168395129 1050061253 /nfs/dbraw/zinc/06/12/53/1050061253.db2.gz MOAZPAGOZRGCBM-UHFFFAOYSA-N 1 3 312.501 4.142 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC001209515660 1050065248 /nfs/dbraw/zinc/06/52/48/1050065248.db2.gz ZSCKVFGQDJPMLC-OALUTQOASA-N 1 3 311.473 4.007 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC001209515660 1050065250 /nfs/dbraw/zinc/06/52/50/1050065250.db2.gz ZSCKVFGQDJPMLC-OALUTQOASA-N 1 3 311.473 4.007 20 0 DIADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1ccc2cc[nH]c2c1 ZINC001209515660 1050065254 /nfs/dbraw/zinc/06/52/54/1050065254.db2.gz ZSCKVFGQDJPMLC-OALUTQOASA-N 1 3 311.473 4.007 20 0 DIADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1ccc2cc[nH]c2c1 ZINC001209515660 1050065258 /nfs/dbraw/zinc/06/52/58/1050065258.db2.gz ZSCKVFGQDJPMLC-OALUTQOASA-N 1 3 311.473 4.007 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2c[nH]c3cccc(F)c23)CC1 ZINC001136988367 1050276415 /nfs/dbraw/zinc/27/64/15/1050276415.db2.gz DFFNSLQRAYOOSP-UHFFFAOYSA-N 1 3 317.452 4.003 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2c[nH]c3cccc(F)c23)CC1 ZINC001136988367 1050276426 /nfs/dbraw/zinc/27/64/26/1050276426.db2.gz DFFNSLQRAYOOSP-UHFFFAOYSA-N 1 3 317.452 4.003 20 0 DIADHO Cc1nc2ccc(Nc3ccc(CC[NH+]4CCCC4)cc3)cc2[nH]1 ZINC001213074341 1050578441 /nfs/dbraw/zinc/57/84/41/1050578441.db2.gz PUNGJSPBAXSOKB-UHFFFAOYSA-N 1 3 320.440 4.253 20 0 DIADHO C[C@]1(CC[NH2+]C2CCN(C3CCCCC3)CC2)C[C@@]1(F)Cl ZINC000846032880 1050650772 /nfs/dbraw/zinc/65/07/72/1050650772.db2.gz MZXMLNVDLYHHMD-IRXDYDNUSA-N 1 3 316.892 4.078 20 0 DIADHO C[C@@]1(CC[NH2+]C2CCN(C3CCCCC3)CC2)C[C@]1(F)Cl ZINC000846032878 1050650883 /nfs/dbraw/zinc/65/08/83/1050650883.db2.gz MZXMLNVDLYHHMD-IAGOWNOFSA-N 1 3 316.892 4.078 20 0 DIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000846151406 1050673902 /nfs/dbraw/zinc/67/39/02/1050673902.db2.gz XVMOXJSOIQNKMI-VAMGGRTRSA-N 1 3 315.505 4.165 20 0 DIADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H](c2cccnc2)C2CCCCC2)C1 ZINC000846151408 1050675215 /nfs/dbraw/zinc/67/52/15/1050675215.db2.gz XVMOXJSOIQNKMI-ZCNNSNEGSA-N 1 3 315.505 4.165 20 0 DIADHO C[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001170117882 1050881828 /nfs/dbraw/zinc/88/18/28/1050881828.db2.gz OLRWWXGYOUZQSO-KXBFYZLASA-N 1 3 320.908 4.330 20 0 DIADHO COc1ccc([C@H](C)[NH2+]CC=C(C)C)cc1CN1CCCCC1 ZINC000790696443 1050986694 /nfs/dbraw/zinc/98/66/94/1050986694.db2.gz FYMFYWULWDJZPV-KRWDZBQOSA-N 1 3 316.489 4.298 20 0 DIADHO CN1C(C)(C)CC([NH2+]C2CCc3ccccc3CC2)CC1(C)C ZINC001171629442 1051171581 /nfs/dbraw/zinc/17/15/81/1051171581.db2.gz RGABBQKUJOSMFS-UHFFFAOYSA-N 1 3 314.517 4.175 20 0 DIADHO C[C@@H](Cc1ccccc1Cl)[NH2+]CCCN1CCCC[C@H]1C ZINC001170250189 1051171784 /nfs/dbraw/zinc/17/17/84/1051171784.db2.gz HDONSUKWHNXTLB-JKSUJKDBSA-N 1 3 308.897 4.125 20 0 DIADHO Cc1ncccc1[C@@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)C1CC1 ZINC001171630064 1051172713 /nfs/dbraw/zinc/17/27/13/1051172713.db2.gz HBIFKXKVLIBKKO-SFHVURJKSA-N 1 3 315.505 4.082 20 0 DIADHO Cc1ccc(CC[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)cc1C ZINC001171619092 1051177041 /nfs/dbraw/zinc/17/70/41/1051177041.db2.gz HMUTZOJNFMNETE-UHFFFAOYSA-N 1 3 302.506 4.087 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@@H]2CCCc3ccccc32)CC1(C)C ZINC001171614286 1051177098 /nfs/dbraw/zinc/17/70/98/1051177098.db2.gz AFZCKECNCQXCFN-GOSISDBHSA-N 1 3 300.490 4.305 20 0 DIADHO C[C@H]1C[C@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)c2ccccc21 ZINC001171622912 1051178746 /nfs/dbraw/zinc/17/87/46/1051178746.db2.gz CNDXWEPKSQYEKI-KSSFIOAISA-N 1 3 300.490 4.476 20 0 DIADHO Cc1ccc2c(c1)[C@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001171622945 1051179153 /nfs/dbraw/zinc/17/91/53/1051179153.db2.gz DORROKABSDAJAM-GOSISDBHSA-N 1 3 300.490 4.223 20 0 DIADHO C[NH+]1C(C)(C)CC(N[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1(C)C ZINC001171623411 1051179935 /nfs/dbraw/zinc/17/99/35/1051179935.db2.gz XSJUSZGBABTKHQ-IAGOWNOFSA-N 1 3 320.908 4.437 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1(C)C ZINC001171623411 1051179942 /nfs/dbraw/zinc/17/99/42/1051179942.db2.gz XSJUSZGBABTKHQ-IAGOWNOFSA-N 1 3 320.908 4.437 20 0 DIADHO Cc1ccc(C(C)(C)[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)cc1 ZINC001171623126 1051180657 /nfs/dbraw/zinc/18/06/57/1051180657.db2.gz LFPXOSZEAZOTGQ-UHFFFAOYSA-N 1 3 302.506 4.471 20 0 DIADHO CN1C(C)(C)CC([NH2+]CC2(Cc3ccccc3)CC2)CC1(C)C ZINC001171627554 1051181702 /nfs/dbraw/zinc/18/17/02/1051181702.db2.gz WLGVVKCFWJWIED-UHFFFAOYSA-N 1 3 314.517 4.250 20 0 DIADHO CCC[C@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)c1ccncc1 ZINC001171626287 1051181888 /nfs/dbraw/zinc/18/18/88/1051181888.db2.gz WRCLACJPZFIMFW-KRWDZBQOSA-N 1 3 303.494 4.164 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@@H]2CCCc3c(F)cccc32)CC1(C)C ZINC001171627370 1051182272 /nfs/dbraw/zinc/18/22/72/1051182272.db2.gz REYCCVCTNKXYRM-GOSISDBHSA-N 1 3 318.480 4.444 20 0 DIADHO Cc1ccc(CC[C@@H](C)[NH+]2CCC(N3CCCCC3)CC2)cc1 ZINC001171664513 1051188036 /nfs/dbraw/zinc/18/80/36/1051188036.db2.gz BAZCZUBOXBZZPP-LJQANCHMSA-N 1 3 314.517 4.266 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C2 ZINC001172101103 1051278230 /nfs/dbraw/zinc/27/82/30/1051278230.db2.gz WFKOUECUEDCOIK-WKCHPHFGSA-N 1 3 320.480 4.381 20 0 DIADHO CCC[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC001172104762 1051297699 /nfs/dbraw/zinc/29/76/99/1051297699.db2.gz CRCPVDJAYMXLFZ-FCGDIQPGSA-N 1 3 304.453 4.272 20 0 DIADHO CCC[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001172104762 1051297707 /nfs/dbraw/zinc/29/77/07/1051297707.db2.gz CRCPVDJAYMXLFZ-FCGDIQPGSA-N 1 3 304.453 4.272 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccc3sccc3c1)C2 ZINC001172104541 1051297857 /nfs/dbraw/zinc/29/78/57/1051297857.db2.gz CNBDYZNCSGIGGD-BJWYYQGGSA-N 1 3 300.471 4.006 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccc3sccc3c1)C2 ZINC001172104541 1051297868 /nfs/dbraw/zinc/29/78/68/1051297868.db2.gz CNBDYZNCSGIGGD-BJWYYQGGSA-N 1 3 300.471 4.006 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccccc3Cl)CCC1)C2 ZINC001172113487 1051302301 /nfs/dbraw/zinc/30/23/01/1051302301.db2.gz HSSMCEITQRNESG-PHZGNYQRSA-N 1 3 318.892 4.324 20 0 DIADHO Cc1ccc([C@H](C)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1Cl ZINC001172115865 1051305745 /nfs/dbraw/zinc/30/57/45/1051305745.db2.gz FTGBRGIFWRJVSZ-LLLHUVSDSA-N 1 3 306.881 4.314 20 0 DIADHO Cc1ccc([C@H](C)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC001172115865 1051305755 /nfs/dbraw/zinc/30/57/55/1051305755.db2.gz FTGBRGIFWRJVSZ-LLLHUVSDSA-N 1 3 306.881 4.314 20 0 DIADHO CCCCCC[C@@H](CCC)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001172386382 1051391155 /nfs/dbraw/zinc/39/11/55/1051391155.db2.gz DZAXPDBAYMNIJF-VAMGGRTRSA-N 1 3 324.553 4.359 20 0 DIADHO CC[C@H](CC(C)C)[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001172394283 1051396202 /nfs/dbraw/zinc/39/62/02/1051396202.db2.gz QGPUOFPCXNVVCZ-LJQANCHMSA-N 1 3 320.496 4.452 20 0 DIADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172550012 1051433281 /nfs/dbraw/zinc/43/32/81/1051433281.db2.gz AWEPJAXKUADXRO-DFQSSKMNSA-N 1 3 300.490 4.177 20 0 DIADHO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)c1cc(Cl)cc(Cl)c1 ZINC001169101481 1051512078 /nfs/dbraw/zinc/51/20/78/1051512078.db2.gz SQAPFDRKIXSPSS-BLQKSXIESA-N 1 3 313.272 4.269 20 0 DIADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(-c3ccsc3)cc1)C2 ZINC001169100522 1051512392 /nfs/dbraw/zinc/51/23/92/1051512392.db2.gz KJPVKZOVSBGPFF-REPLKXPHSA-N 1 3 312.482 4.130 20 0 DIADHO CCN(C)C1CC[NH+]([C@@H](Cc2ccccc2)CC(C)C)CC1 ZINC001169086214 1051516251 /nfs/dbraw/zinc/51/62/51/1051516251.db2.gz RPPQAQQBBBBCRD-HXUWFJFHSA-N 1 3 302.506 4.060 20 0 DIADHO CC[N@H+](C)C1CCN([C@@H](Cc2ccccc2)CC(C)C)CC1 ZINC001169086214 1051516265 /nfs/dbraw/zinc/51/62/65/1051516265.db2.gz RPPQAQQBBBBCRD-HXUWFJFHSA-N 1 3 302.506 4.060 20 0 DIADHO CC[N@@H+](C)C1CCN([C@@H](Cc2ccccc2)CC(C)C)CC1 ZINC001169086214 1051516283 /nfs/dbraw/zinc/51/62/83/1051516283.db2.gz RPPQAQQBBBBCRD-HXUWFJFHSA-N 1 3 302.506 4.060 20 0 DIADHO CCN(C)C1CC[NH+]([C@H](Cc2ccccc2)CC(C)C)CC1 ZINC001169086213 1051517109 /nfs/dbraw/zinc/51/71/09/1051517109.db2.gz RPPQAQQBBBBCRD-FQEVSTJZSA-N 1 3 302.506 4.060 20 0 DIADHO CC[N@H+](C)C1CCN([C@H](Cc2ccccc2)CC(C)C)CC1 ZINC001169086213 1051517117 /nfs/dbraw/zinc/51/71/17/1051517117.db2.gz RPPQAQQBBBBCRD-FQEVSTJZSA-N 1 3 302.506 4.060 20 0 DIADHO CC[N@@H+](C)C1CCN([C@H](Cc2ccccc2)CC(C)C)CC1 ZINC001169086213 1051517130 /nfs/dbraw/zinc/51/71/30/1051517130.db2.gz RPPQAQQBBBBCRD-FQEVSTJZSA-N 1 3 302.506 4.060 20 0 DIADHO C[C@@H](CSc1ccc(Cl)cc1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001172874703 1051558847 /nfs/dbraw/zinc/55/88/47/1051558847.db2.gz HYZVQOYGKZCRQI-HNKHHVNMSA-N 1 3 324.921 4.035 20 0 DIADHO C[C@@H](CSc1ccc(Cl)cc1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001172874703 1051558849 /nfs/dbraw/zinc/55/88/49/1051558849.db2.gz HYZVQOYGKZCRQI-HNKHHVNMSA-N 1 3 324.921 4.035 20 0 DIADHO C[C@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccsc1 ZINC000178234320 1051563645 /nfs/dbraw/zinc/56/36/45/1051563645.db2.gz NULAEJDPPSRDSH-GJZGRUSLSA-N 1 3 320.527 4.372 20 0 DIADHO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccsc1 ZINC000178234320 1051563655 /nfs/dbraw/zinc/56/36/55/1051563655.db2.gz NULAEJDPPSRDSH-GJZGRUSLSA-N 1 3 320.527 4.372 20 0 DIADHO CC[C@H]1CC[C@H](N2CCC([NH3+])(c3ccc(Cl)cc3)CC2)C1 ZINC001173273449 1051671354 /nfs/dbraw/zinc/67/13/54/1051671354.db2.gz ZSCOKFYJYJZAOV-YOEHRIQHSA-N 1 3 306.881 4.169 20 0 DIADHO Cc1ccc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)c(CN(C)C)c1 ZINC001169689511 1051674056 /nfs/dbraw/zinc/67/40/56/1051674056.db2.gz KDWLBJNWMPPVEY-IBGZPJMESA-N 1 3 323.484 4.297 20 0 DIADHO Cc1cscc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000494495254 1051904442 /nfs/dbraw/zinc/90/44/42/1051904442.db2.gz MVBVNIHJBOCKMS-KXBFYZLASA-N 1 3 314.498 4.057 20 0 DIADHO Cc1cscc1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000494495254 1051904453 /nfs/dbraw/zinc/90/44/53/1051904453.db2.gz MVBVNIHJBOCKMS-KXBFYZLASA-N 1 3 314.498 4.057 20 0 DIADHO CC1(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCC1 ZINC000309787668 1052245359 /nfs/dbraw/zinc/24/53/59/1052245359.db2.gz NQUKNBZGESCIAN-LJQANCHMSA-N 1 3 300.490 4.069 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001168492426 1052407592 /nfs/dbraw/zinc/40/75/92/1052407592.db2.gz RLPPFISNMUMMIE-PXNSSMCTSA-N 1 3 318.480 4.097 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001168492426 1052407595 /nfs/dbraw/zinc/40/75/95/1052407595.db2.gz RLPPFISNMUMMIE-PXNSSMCTSA-N 1 3 318.480 4.097 20 0 DIADHO C[C@@H](CCc1ccccc1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000237334656 1052438276 /nfs/dbraw/zinc/43/82/76/1052438276.db2.gz ZVDLBFBMUBYURL-SFHVURJKSA-N 1 3 314.517 4.394 20 0 DIADHO c1ccc(C(C[N@@H+]2CCC[C@@]23CCCNC3)c2ccccc2)cc1 ZINC001222230880 1052465277 /nfs/dbraw/zinc/46/52/77/1052465277.db2.gz FXOSOCWACNCOHF-JOCHJYFZSA-N 1 3 320.480 4.037 20 0 DIADHO c1ccc(C(C[N@H+]2CCC[C@@]23CCCNC3)c2ccccc2)cc1 ZINC001222230880 1052465281 /nfs/dbraw/zinc/46/52/81/1052465281.db2.gz FXOSOCWACNCOHF-JOCHJYFZSA-N 1 3 320.480 4.037 20 0 DIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC/C=C\c1ccccc1 ZINC000398007160 1052561979 /nfs/dbraw/zinc/56/19/79/1052561979.db2.gz ZSOFFMWZFURAKI-QATSVWFZSA-N 1 3 320.480 4.200 20 0 DIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC/C=C\c1ccccc1 ZINC000398007160 1052561987 /nfs/dbraw/zinc/56/19/87/1052561987.db2.gz ZSOFFMWZFURAKI-QATSVWFZSA-N 1 3 320.480 4.200 20 0 DIADHO CS[C@H]1CCC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000129251447 1052781351 /nfs/dbraw/zinc/78/13/51/1052781351.db2.gz ULEQHUXWYLBKMG-WMZOPIPTSA-N 1 3 310.551 4.047 20 0 DIADHO CS[C@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000129251898 1052781443 /nfs/dbraw/zinc/78/14/43/1052781443.db2.gz ULEQHUXWYLBKMG-AEFFLSMTSA-N 1 3 310.551 4.047 20 0 DIADHO CC(C)[NH+]1CCC(N[C@@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000129348188 1052784101 /nfs/dbraw/zinc/78/41/01/1052784101.db2.gz UXEQESHHRGLSNQ-AWEZNQCLSA-N 1 3 306.519 4.150 20 0 DIADHO C[C@@H](CN1CCC2(CCC[NH2+]2)CC1)c1cccc2ccccc21 ZINC001226784058 1052931312 /nfs/dbraw/zinc/93/13/12/1052931312.db2.gz JQXHKVSRFMXFND-KRWDZBQOSA-N 1 3 308.469 4.161 20 0 DIADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(CC)C1)c1cc(Cl)ccc1OC ZINC001319187325 1053224805 /nfs/dbraw/zinc/22/48/05/1053224805.db2.gz MEVDWFYHSSNVIT-WMLDXEAASA-N 1 3 324.896 4.121 20 0 DIADHO C[C@H](CSC(C)(C)C)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183196072 1053601360 /nfs/dbraw/zinc/60/13/60/1053601360.db2.gz ZUZYJKPMQYYOEH-OWCLPIDISA-N 1 3 312.567 4.149 20 0 DIADHO Cc1ccccc1-c1ccccc1C[NH+]1CCC2(CN(C)C2)CC1 ZINC001231809195 1053869421 /nfs/dbraw/zinc/86/94/21/1053869421.db2.gz IGNLHWSXPGKNBM-UHFFFAOYSA-N 1 3 320.480 4.190 20 0 DIADHO CC(C)Sc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000158195179 1053894141 /nfs/dbraw/zinc/89/41/41/1053894141.db2.gz IFDGEIBFGBIVMD-HOTGVXAUSA-N 1 3 306.519 4.180 20 0 DIADHO CC(C)Sc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158195179 1053894148 /nfs/dbraw/zinc/89/41/48/1053894148.db2.gz IFDGEIBFGBIVMD-HOTGVXAUSA-N 1 3 306.519 4.180 20 0 DIADHO CC[N@H+](Cc1cc2cnccc2[nH]1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001232011424 1053941024 /nfs/dbraw/zinc/94/10/24/1053941024.db2.gz KFAWZEUMUVRYNK-HNNXBMFYSA-N 1 3 323.440 4.025 20 0 DIADHO CC[N@@H+](Cc1cc2cnccc2[nH]1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001232011424 1053941038 /nfs/dbraw/zinc/94/10/38/1053941038.db2.gz KFAWZEUMUVRYNK-HNNXBMFYSA-N 1 3 323.440 4.025 20 0 DIADHO Clc1ccc([C@H]2CC[N@H+](Cc3cc4cnccc4[nH]3)C2)cc1 ZINC001232016203 1053943358 /nfs/dbraw/zinc/94/33/58/1053943358.db2.gz URTIKUXDPBPFMC-AWEZNQCLSA-N 1 3 311.816 4.206 20 0 DIADHO Clc1ccc([C@H]2CC[N@@H+](Cc3cc4cnccc4[nH]3)C2)cc1 ZINC001232016203 1053943367 /nfs/dbraw/zinc/94/33/67/1053943367.db2.gz URTIKUXDPBPFMC-AWEZNQCLSA-N 1 3 311.816 4.206 20 0 DIADHO C[NH+](C)Cc1cc(F)cc(CN(Cc2ccccc2)C2CC2)c1 ZINC001232150555 1053971003 /nfs/dbraw/zinc/97/10/03/1053971003.db2.gz ZDXYEVUJHGDLSL-UHFFFAOYSA-N 1 3 312.432 4.052 20 0 DIADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC001232145784 1053973257 /nfs/dbraw/zinc/97/32/57/1053973257.db2.gz ASNYIUQLXOEOGF-HXUWFJFHSA-N 1 3 312.432 4.224 20 0 DIADHO CN(C)Cc1cc(F)cc(C[N@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC001232145784 1053973266 /nfs/dbraw/zinc/97/32/66/1053973266.db2.gz ASNYIUQLXOEOGF-HXUWFJFHSA-N 1 3 312.432 4.224 20 0 DIADHO C[NH+](C)Cc1cc(F)cc(CN2CCC[C@@H]2c2ccccc2)c1 ZINC001232145784 1053973278 /nfs/dbraw/zinc/97/32/78/1053973278.db2.gz ASNYIUQLXOEOGF-HXUWFJFHSA-N 1 3 312.432 4.224 20 0 DIADHO C[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)c1cccnc1 ZINC000290287194 1054047272 /nfs/dbraw/zinc/04/72/72/1054047272.db2.gz XRCQPCCQJWGXCP-AZUAARDMSA-N 1 3 323.484 4.035 20 0 DIADHO C[C@@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)c1cccnc1 ZINC000290287205 1054047686 /nfs/dbraw/zinc/04/76/86/1054047686.db2.gz XRCQPCCQJWGXCP-UYAOXDASSA-N 1 3 323.484 4.035 20 0 DIADHO C[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1cccc(-c2ccncc2)c1 ZINC000165342752 1054076689 /nfs/dbraw/zinc/07/66/89/1054076689.db2.gz ZIQTVSVPAKZSDJ-ZWKOTPCHSA-N 1 3 323.484 4.131 20 0 DIADHO Cc1cccc(-c2ccc(C[NH+]3CCC4(CN(C)C4)CC3)cc2)c1 ZINC001233225790 1054210425 /nfs/dbraw/zinc/21/04/25/1054210425.db2.gz UFKKDFUSWSASNH-UHFFFAOYSA-N 1 3 320.480 4.190 20 0 DIADHO CSc1ccc([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000171131846 1054349580 /nfs/dbraw/zinc/34/95/80/1054349580.db2.gz KIIVEWOHBGBFCY-OAHLLOKOSA-N 1 3 314.498 4.321 20 0 DIADHO CC[N@@H+]1CCC[C@@H](CN[C@@H](C)c2cc3c(s2)CCCC3)C1 ZINC001340513651 1054361376 /nfs/dbraw/zinc/36/13/76/1054361376.db2.gz GYDAJAVGOJRXSI-GJZGRUSLSA-N 1 3 306.519 4.009 20 0 DIADHO CC[N@H+]1CCC[C@@H](CN[C@@H](C)c2cc3c(s2)CCCC3)C1 ZINC001340513651 1054361386 /nfs/dbraw/zinc/36/13/86/1054361386.db2.gz GYDAJAVGOJRXSI-GJZGRUSLSA-N 1 3 306.519 4.009 20 0 DIADHO CC[C@@H](C)c1ccc(NC(=[NH2+])NCCN(C(C)C)C(C)C)cc1 ZINC000849053374 1054362555 /nfs/dbraw/zinc/36/25/55/1054362555.db2.gz CDKDKFIORROODG-MRXNPFEDSA-N 1 3 318.509 4.255 20 0 DIADHO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c(C)o1 ZINC000336717448 1054442615 /nfs/dbraw/zinc/44/26/15/1054442615.db2.gz QLJMVAUBNWNIQV-LPHOPBHVSA-N 1 3 312.457 4.069 20 0 DIADHO Cc1cc([C@@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c(C)o1 ZINC000336717465 1054443506 /nfs/dbraw/zinc/44/35/06/1054443506.db2.gz QLJMVAUBNWNIQV-VQIMIIECSA-N 1 3 312.457 4.069 20 0 DIADHO C[N@@H+]1CC[C@@H](NC2CC(F)(c3cccc(Cl)c3)C2)CC1(C)C ZINC000623512596 1054609184 /nfs/dbraw/zinc/60/91/84/1054609184.db2.gz NVVWTDUUECVTFQ-KLHKWILBSA-N 1 3 324.871 4.130 20 0 DIADHO C[N@H+]1CC[C@@H](NC2CC(F)(c3cccc(Cl)c3)C2)CC1(C)C ZINC000623512596 1054609194 /nfs/dbraw/zinc/60/91/94/1054609194.db2.gz NVVWTDUUECVTFQ-KLHKWILBSA-N 1 3 324.871 4.130 20 0 DIADHO c1ccc2c(c1)oc1c2cccc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234994364 1054638601 /nfs/dbraw/zinc/63/86/01/1054638601.db2.gz SHPCKCDJHGGUSR-OAQYLSRUSA-N 1 3 320.436 4.162 20 0 DIADHO Cc1ccccc1-c1ccccc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234997324 1054640685 /nfs/dbraw/zinc/64/06/85/1054640685.db2.gz AXOADVLLBRQAJP-JOCHJYFZSA-N 1 3 320.480 4.238 20 0 DIADHO c1cc2c(cccc2CN2CCC[C@]3(CCC[NH2+]3)CC2)s1 ZINC001235036697 1054643178 /nfs/dbraw/zinc/64/31/78/1054643178.db2.gz AWHKCEIAFHJITL-GOSISDBHSA-N 1 3 300.471 4.009 20 0 DIADHO c1ccc(-c2ccc(CN3CCC[C@]4(CCC[NH2+]4)CC3)cc2)cc1 ZINC001235040693 1054645847 /nfs/dbraw/zinc/64/58/47/1054645847.db2.gz MYJNNSAQWHVCIN-JOCHJYFZSA-N 1 3 320.480 4.462 20 0 DIADHO CC(C)c1cc(CN2CCC3(CC[NH2+]CC3)CC2)ccc1Cl ZINC001235132183 1054663034 /nfs/dbraw/zinc/66/30/34/1054663034.db2.gz HGBUUCHFBRITDD-UHFFFAOYSA-N 1 3 320.908 4.429 20 0 DIADHO Cc1cccc(Cl)c1CN1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235232560 1054687793 /nfs/dbraw/zinc/68/77/93/1054687793.db2.gz YMGSAWGEKYLEIZ-GOSISDBHSA-N 1 3 306.881 4.003 20 0 DIADHO c1ccc2c(c1)sc1c2cccc1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235272736 1054696723 /nfs/dbraw/zinc/69/67/23/1054696723.db2.gz QVDPMNUJIPGRFG-RDTXWAMCSA-N 1 3 322.477 4.238 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2cc(C)cc(Cl)c2)CC1 ZINC001235541216 1054740537 /nfs/dbraw/zinc/74/05/37/1054740537.db2.gz RLTITUIHZFLHLK-UHFFFAOYSA-N 1 3 308.897 4.345 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2cc(C)cc(Cl)c2)CC1 ZINC001235541216 1054740552 /nfs/dbraw/zinc/74/05/52/1054740552.db2.gz RLTITUIHZFLHLK-UHFFFAOYSA-N 1 3 308.897 4.345 20 0 DIADHO [NH3+]Cc1cccc(CN2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001235675259 1054769788 /nfs/dbraw/zinc/76/97/88/1054769788.db2.gz TVTYQBXIHZFEGJ-GOSISDBHSA-N 1 3 300.833 4.136 20 0 DIADHO [NH3+]Cc1ccc(CN2CCC[C@H]2c2ccccc2Cl)cc1 ZINC001235695045 1054780080 /nfs/dbraw/zinc/78/00/80/1054780080.db2.gz YEXGMLOROFDFAR-SFHVURJKSA-N 1 3 300.833 4.136 20 0 DIADHO CCCCCCc1csc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)c1 ZINC001235810717 1054812786 /nfs/dbraw/zinc/81/27/86/1054812786.db2.gz MTAZKJOOLHKDSG-BJWYYQGGSA-N 1 3 306.519 4.325 20 0 DIADHO CN(Cc1cccc2c3ccccc3sc21)C[C@H]1CC[NH2+]C1 ZINC001235841729 1054817566 /nfs/dbraw/zinc/81/75/66/1054817566.db2.gz IHSJTFTWAZKBPV-AWEZNQCLSA-N 1 3 310.466 4.096 20 0 DIADHO CN(Cc1ccccc1-c1ccc(Cl)cc1)C[C@H]1CC[NH2+]C1 ZINC001235841960 1054818732 /nfs/dbraw/zinc/81/87/32/1054818732.db2.gz KSFVJPXQADISIT-HNNXBMFYSA-N 1 3 314.860 4.048 20 0 DIADHO CN(Cc1ccccc1-c1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC001235841962 1054819286 /nfs/dbraw/zinc/81/92/86/1054819286.db2.gz KSFVJPXQADISIT-OAHLLOKOSA-N 1 3 314.860 4.048 20 0 DIADHO C[C@H]1CC[C@@H](N)C[N@@H+]1Cc1cccc2c3ccccc3sc21 ZINC001235906855 1054842614 /nfs/dbraw/zinc/84/26/14/1054842614.db2.gz OZVOESBSVQDIRG-DZGCQCFKSA-N 1 3 310.466 4.366 20 0 DIADHO C[C@H]1CC[C@@H](N)C[N@H+]1Cc1cccc2c3ccccc3sc21 ZINC001235906855 1054842622 /nfs/dbraw/zinc/84/26/22/1054842622.db2.gz OZVOESBSVQDIRG-DZGCQCFKSA-N 1 3 310.466 4.366 20 0 DIADHO CN(CC[C@@H]1CCC[NH2+]C1)Cc1sc2ccccc2c1Cl ZINC001235948345 1054863393 /nfs/dbraw/zinc/86/33/93/1054863393.db2.gz MDRUEXOJXVMOKI-ZDUSSCGKSA-N 1 3 322.905 4.376 20 0 DIADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(C(F)(F)F)cc1 ZINC000624121209 1054883553 /nfs/dbraw/zinc/88/35/53/1054883553.db2.gz QCHZUCVCEMHWOQ-KGLIPLIRSA-N 1 3 314.395 4.088 20 0 DIADHO C[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1cc2ccccc2s1 ZINC000624124066 1054884038 /nfs/dbraw/zinc/88/40/38/1054884038.db2.gz WJNXXURORCEKFN-CABCVRRESA-N 1 3 302.487 4.284 20 0 DIADHO C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cc2ccccc2s1 ZINC000624124066 1054884047 /nfs/dbraw/zinc/88/40/47/1054884047.db2.gz WJNXXURORCEKFN-CABCVRRESA-N 1 3 302.487 4.284 20 0 DIADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(-c2ccncc2)cc1 ZINC000624121166 1054885727 /nfs/dbraw/zinc/88/57/27/1054885727.db2.gz PMJUQUDFKBNKSM-QZTJIDSGSA-N 1 3 323.484 4.131 20 0 DIADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccccc1C(F)(F)F ZINC000624119535 1054886206 /nfs/dbraw/zinc/88/62/06/1054886206.db2.gz DSABNBHEDHIZOB-KGLIPLIRSA-N 1 3 314.395 4.088 20 0 DIADHO [NH3+]C1(c2ccc(-c3cccc(CN4CCCCC4)c3F)cc2)CC1 ZINC001236010480 1054894532 /nfs/dbraw/zinc/89/45/32/1054894532.db2.gz AQPVJPWVAHOBPC-UHFFFAOYSA-N 1 3 324.443 4.426 20 0 DIADHO CSc1ccccc1[C@H]1CCCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001236108191 1054951476 /nfs/dbraw/zinc/95/14/76/1054951476.db2.gz JQPNPBUSCXCQRG-LJQANCHMSA-N 1 3 324.493 4.349 20 0 DIADHO Clc1cccc([C@@H]2CCCN2Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC001236152718 1054971039 /nfs/dbraw/zinc/97/10/39/1054971039.db2.gz XFWAIOUJAMBTLG-IBGZPJMESA-N 1 3 312.844 4.280 20 0 DIADHO CCCN(Cc1ccc(Oc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC001236180278 1054981554 /nfs/dbraw/zinc/98/15/54/1054981554.db2.gz FWJRWDQLROYDFF-UHFFFAOYSA-N 1 3 324.468 4.443 20 0 DIADHO CCC[N@H+](Cc1ccc(Oc2ccccc2)cc1)C1CCNCC1 ZINC001236180278 1054981567 /nfs/dbraw/zinc/98/15/67/1054981567.db2.gz FWJRWDQLROYDFF-UHFFFAOYSA-N 1 3 324.468 4.443 20 0 DIADHO CCC[N@@H+](Cc1ccc(Oc2ccccc2)cc1)C1CCNCC1 ZINC001236180278 1054981580 /nfs/dbraw/zinc/98/15/80/1054981580.db2.gz FWJRWDQLROYDFF-UHFFFAOYSA-N 1 3 324.468 4.443 20 0 DIADHO CN(Cc1cc2c(s1)CC[NH2+]C2)Cc1ccc2ccccc2c1 ZINC001236183095 1054982244 /nfs/dbraw/zinc/98/22/44/1054982244.db2.gz DRKINXMIHHRXRV-UHFFFAOYSA-N 1 3 322.477 4.179 20 0 DIADHO CCN(Cc1cc2c(s1)C[NH2+]CC2)Cc1cccc(Cl)c1 ZINC001236192671 1054990107 /nfs/dbraw/zinc/99/01/07/1054990107.db2.gz IXQQVAHGFVLGIS-UHFFFAOYSA-N 1 3 320.889 4.069 20 0 DIADHO c1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)CNC2 ZINC001236196413 1054996442 /nfs/dbraw/zinc/99/64/42/1054996442.db2.gz ZLPULBVHZCKTOY-NRFANRHFSA-N 1 3 317.436 4.108 20 0 DIADHO c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CNC2 ZINC001236196413 1054996451 /nfs/dbraw/zinc/99/64/51/1054996451.db2.gz ZLPULBVHZCKTOY-NRFANRHFSA-N 1 3 317.436 4.108 20 0 DIADHO COc1ccc(-c2cccc(C[N@H+](C)[C@H]3CCCC[C@@H]3N)c2)cc1 ZINC001236216265 1055005370 /nfs/dbraw/zinc/00/53/70/1055005370.db2.gz JWOLOAXIADOPDH-SFTDATJTSA-N 1 3 324.468 4.064 20 0 DIADHO COc1ccc(-c2cccc(C[N@@H+](C)[C@H]3CCCC[C@@H]3N)c2)cc1 ZINC001236216265 1055005385 /nfs/dbraw/zinc/00/53/85/1055005385.db2.gz JWOLOAXIADOPDH-SFTDATJTSA-N 1 3 324.468 4.064 20 0 DIADHO Cc1csc2sc(C[N@@H+](C)[C@H]3CCCC[C@@H]3N)c(C)c12 ZINC001236219468 1055008599 /nfs/dbraw/zinc/00/85/99/1055008599.db2.gz WOMJRZQNLVCXLJ-STQMWFEESA-N 1 3 308.516 4.281 20 0 DIADHO Cc1csc2sc(C[N@H+](C)[C@H]3CCCC[C@@H]3N)c(C)c12 ZINC001236219468 1055008613 /nfs/dbraw/zinc/00/86/13/1055008613.db2.gz WOMJRZQNLVCXLJ-STQMWFEESA-N 1 3 308.516 4.281 20 0 DIADHO c1ccc(-c2[nH]c3ccccc3c2CN2CCC[NH2+]CCC2)cc1 ZINC001236238776 1055025773 /nfs/dbraw/zinc/02/57/73/1055025773.db2.gz BJZLJMTYSFRWTJ-UHFFFAOYSA-N 1 3 319.452 4.020 20 0 DIADHO Fc1cc(-c2cncc3cc[nH]c32)ccc1C[NH+]1CCCCC1 ZINC001236248511 1055031410 /nfs/dbraw/zinc/03/14/10/1055031410.db2.gz HRJDCDHUZSFFDG-UHFFFAOYSA-N 1 3 309.388 4.355 20 0 DIADHO [NH3+]Cc1cccc(-c2ccc(CN3CCCCC3)c(F)c2)c1F ZINC001236251634 1055035720 /nfs/dbraw/zinc/03/57/20/1055035720.db2.gz TYRMOLBFHSCHLS-UHFFFAOYSA-N 1 3 316.395 4.076 20 0 DIADHO CCN(CC[C@H]1CCC[NH2+]C1)Cc1ccc(Cl)cc1Cl ZINC001236266458 1055044654 /nfs/dbraw/zinc/04/46/54/1055044654.db2.gz SKYDKCBUKOXGEY-CYBMUJFWSA-N 1 3 315.288 4.205 20 0 DIADHO CC1(C[N@H+](Cc2ccccc2)C2CCNCC2)CCCCC1 ZINC001236287376 1055049023 /nfs/dbraw/zinc/04/90/23/1055049023.db2.gz SKOXZWWQEGNSTH-UHFFFAOYSA-N 1 3 300.490 4.211 20 0 DIADHO CC1(C[N@@H+](Cc2ccccc2)C2CCNCC2)CCCCC1 ZINC001236287376 1055049039 /nfs/dbraw/zinc/04/90/39/1055049039.db2.gz SKOXZWWQEGNSTH-UHFFFAOYSA-N 1 3 300.490 4.211 20 0 DIADHO Fc1ccc(-c2cccc3c2CC[NH2+]C3)cc1CN1CCCCC1 ZINC001236357072 1055070740 /nfs/dbraw/zinc/07/07/40/1055070740.db2.gz DQTXXQRMEYEYRB-UHFFFAOYSA-N 1 3 324.443 4.124 20 0 DIADHO C[C@H](C[N@H+](C[C@@H]1CCCNC1)C1CCCC1)c1ccccc1 ZINC001236373499 1055078436 /nfs/dbraw/zinc/07/84/36/1055078436.db2.gz XUROYHKHQKMTQV-QZTJIDSGSA-N 1 3 300.490 4.034 20 0 DIADHO C[C@H](C[N@@H+](C[C@@H]1CCCNC1)C1CCCC1)c1ccccc1 ZINC001236373499 1055078448 /nfs/dbraw/zinc/07/84/48/1055078448.db2.gz XUROYHKHQKMTQV-QZTJIDSGSA-N 1 3 300.490 4.034 20 0 DIADHO Cc1ccc(C)c(C[N@H+](C[C@H]2CCCNC2)C2CCCC2)c1 ZINC001236372892 1055079330 /nfs/dbraw/zinc/07/93/30/1055079330.db2.gz FBYBJOKKCUQQAF-SFHVURJKSA-N 1 3 300.490 4.048 20 0 DIADHO Cc1ccc(C)c(C[N@@H+](C[C@H]2CCCNC2)C2CCCC2)c1 ZINC001236372892 1055079335 /nfs/dbraw/zinc/07/93/35/1055079335.db2.gz FBYBJOKKCUQQAF-SFHVURJKSA-N 1 3 300.490 4.048 20 0 DIADHO C[C@H](C[N@H+](C[C@H]1CCCNC1)C1CCCC1)c1ccccc1 ZINC001236373498 1055079578 /nfs/dbraw/zinc/07/95/78/1055079578.db2.gz XUROYHKHQKMTQV-MSOLQXFVSA-N 1 3 300.490 4.034 20 0 DIADHO C[C@H](C[N@@H+](C[C@H]1CCCNC1)C1CCCC1)c1ccccc1 ZINC001236373498 1055079596 /nfs/dbraw/zinc/07/95/96/1055079596.db2.gz XUROYHKHQKMTQV-MSOLQXFVSA-N 1 3 300.490 4.034 20 0 DIADHO CC(C)(C)c1ccc(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)[nH]1 ZINC001236374376 1055081022 /nfs/dbraw/zinc/08/10/22/1055081022.db2.gz PXWPNIQUTJPGMW-INIZCTEOSA-N 1 3 317.521 4.056 20 0 DIADHO Fc1cc(Cl)cc(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236376932 1055081808 /nfs/dbraw/zinc/08/18/08/1055081808.db2.gz WCZKUMBRZIREQQ-CQSZACIVSA-N 1 3 324.871 4.223 20 0 DIADHO c1cc2c(cccc2C[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)o1 ZINC001236376168 1055082864 /nfs/dbraw/zinc/08/28/64/1055082864.db2.gz PYWJBWFYQRXEKL-MRXNPFEDSA-N 1 3 312.457 4.177 20 0 DIADHO c1cc2c(cccc2C[N@H+](C[C@@H]2CCCNC2)C2CCCC2)o1 ZINC001236376168 1055082879 /nfs/dbraw/zinc/08/28/79/1055082879.db2.gz PYWJBWFYQRXEKL-MRXNPFEDSA-N 1 3 312.457 4.177 20 0 DIADHO CSc1ccc(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)s1 ZINC001236377093 1055083133 /nfs/dbraw/zinc/08/31/33/1055083133.db2.gz XOYSECFLNCAGCH-AWEZNQCLSA-N 1 3 324.559 4.214 20 0 DIADHO C[C@@H](NCCSc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185681823 1055095795 /nfs/dbraw/zinc/09/57/95/1055095795.db2.gz SNQRUZMWXUMVIR-SJORKVTESA-N 1 3 318.530 4.021 20 0 DIADHO C[C@@H](NCCSc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185681823 1055095805 /nfs/dbraw/zinc/09/58/05/1055095805.db2.gz SNQRUZMWXUMVIR-SJORKVTESA-N 1 3 318.530 4.021 20 0 DIADHO CC(C)(C)CN(Cc1cc2ccccc2o1)C1CC[NH2+]CC1 ZINC001236458056 1055125310 /nfs/dbraw/zinc/12/53/10/1055125310.db2.gz QEFFYTZOIKLGJM-UHFFFAOYSA-N 1 3 300.446 4.033 20 0 DIADHO CC(C)(C)C[N@H+](Cc1cc2ccccc2o1)C1CCNCC1 ZINC001236458056 1055125316 /nfs/dbraw/zinc/12/53/16/1055125316.db2.gz QEFFYTZOIKLGJM-UHFFFAOYSA-N 1 3 300.446 4.033 20 0 DIADHO CC(C)(C)C[N@@H+](Cc1cc2ccccc2o1)C1CCNCC1 ZINC001236458056 1055125323 /nfs/dbraw/zinc/12/53/23/1055125323.db2.gz QEFFYTZOIKLGJM-UHFFFAOYSA-N 1 3 300.446 4.033 20 0 DIADHO CC(C)(C)CN(Cc1ccc(F)c(C2CC2)c1)C1CC[NH2+]CC1 ZINC001236459702 1055126278 /nfs/dbraw/zinc/12/62/78/1055126278.db2.gz XNIPXXWVSKUYEW-UHFFFAOYSA-N 1 3 318.480 4.303 20 0 DIADHO CC(C)(C)C[N@H+](Cc1ccc(F)c(C2CC2)c1)C1CCNCC1 ZINC001236459702 1055126285 /nfs/dbraw/zinc/12/62/85/1055126285.db2.gz XNIPXXWVSKUYEW-UHFFFAOYSA-N 1 3 318.480 4.303 20 0 DIADHO CC(C)(C)C[N@@H+](Cc1ccc(F)c(C2CC2)c1)C1CCNCC1 ZINC001236459702 1055126293 /nfs/dbraw/zinc/12/62/93/1055126293.db2.gz XNIPXXWVSKUYEW-UHFFFAOYSA-N 1 3 318.480 4.303 20 0 DIADHO CC(C)(C)C[N@H+](Cc1cccc(C(F)F)c1)C1CCNCC1 ZINC001236458813 1055126804 /nfs/dbraw/zinc/12/68/04/1055126804.db2.gz YYZXTGBUDHJYEE-UHFFFAOYSA-N 1 3 310.432 4.224 20 0 DIADHO CC(C)(C)C[N@@H+](Cc1cccc(C(F)F)c1)C1CCNCC1 ZINC001236458813 1055126814 /nfs/dbraw/zinc/12/68/14/1055126814.db2.gz YYZXTGBUDHJYEE-UHFFFAOYSA-N 1 3 310.432 4.224 20 0 DIADHO CC(C)(C)CN(Cc1cccc(C(F)F)c1)C1CC[NH2+]CC1 ZINC001236458813 1055126819 /nfs/dbraw/zinc/12/68/19/1055126819.db2.gz YYZXTGBUDHJYEE-UHFFFAOYSA-N 1 3 310.432 4.224 20 0 DIADHO Cc1cc(C[N@H+](CC(C)(C)C)C2CCNCC2)ccc1Cl ZINC001236458576 1055127184 /nfs/dbraw/zinc/12/71/84/1055127184.db2.gz XXUQBACGLLOEFQ-UHFFFAOYSA-N 1 3 308.897 4.249 20 0 DIADHO Cc1cc(C[N@@H+](CC(C)(C)C)C2CCNCC2)ccc1Cl ZINC001236458576 1055127191 /nfs/dbraw/zinc/12/71/91/1055127191.db2.gz XXUQBACGLLOEFQ-UHFFFAOYSA-N 1 3 308.897 4.249 20 0 DIADHO Cc1cc(CN(CC(C)(C)C)C2CC[NH2+]CC2)ccc1Cl ZINC001236458576 1055127202 /nfs/dbraw/zinc/12/72/02/1055127202.db2.gz XXUQBACGLLOEFQ-UHFFFAOYSA-N 1 3 308.897 4.249 20 0 DIADHO Cc1cc(F)cc(C[N@H+](C[C@@H]2CC=CCC2)C2CCNCC2)c1 ZINC001236481385 1055138381 /nfs/dbraw/zinc/13/83/81/1055138381.db2.gz VFFWOGAABYOXGM-QGZVFWFLSA-N 1 3 316.464 4.044 20 0 DIADHO Cc1cc(F)cc(C[N@@H+](C[C@@H]2CC=CCC2)C2CCNCC2)c1 ZINC001236481385 1055138383 /nfs/dbraw/zinc/13/83/83/1055138383.db2.gz VFFWOGAABYOXGM-QGZVFWFLSA-N 1 3 316.464 4.044 20 0 DIADHO Cc1cc(F)ccc1C[N@H+](CCC1CCCC1)C1CCNCC1 ZINC001236516626 1055156797 /nfs/dbraw/zinc/15/67/97/1055156797.db2.gz GMOUTWVSEMUWIF-UHFFFAOYSA-N 1 3 318.480 4.268 20 0 DIADHO Cc1cc(F)ccc1C[N@@H+](CCC1CCCC1)C1CCNCC1 ZINC001236516626 1055156802 /nfs/dbraw/zinc/15/68/02/1055156802.db2.gz GMOUTWVSEMUWIF-UHFFFAOYSA-N 1 3 318.480 4.268 20 0 DIADHO Cc1cc(F)ccc1CN(CCC1CCCC1)C1CC[NH2+]CC1 ZINC001236516626 1055156808 /nfs/dbraw/zinc/15/68/08/1055156808.db2.gz GMOUTWVSEMUWIF-UHFFFAOYSA-N 1 3 318.480 4.268 20 0 DIADHO C[C@@H](C[N@H+](C[C@H]1CCCNC1)C1CC1)c1cccc2ccccc21 ZINC001236584446 1055199507 /nfs/dbraw/zinc/19/95/07/1055199507.db2.gz CFEIUCBSEKADME-ROUUACIJSA-N 1 3 322.496 4.407 20 0 DIADHO C[C@@H](C[N@@H+](C[C@H]1CCCNC1)C1CC1)c1cccc2ccccc21 ZINC001236584446 1055199512 /nfs/dbraw/zinc/19/95/12/1055199512.db2.gz CFEIUCBSEKADME-ROUUACIJSA-N 1 3 322.496 4.407 20 0 DIADHO C[C@@H](CN(C[C@H]1CCC[NH2+]C1)C1CC1)c1cccc2ccccc21 ZINC001236584446 1055199517 /nfs/dbraw/zinc/19/95/17/1055199517.db2.gz CFEIUCBSEKADME-ROUUACIJSA-N 1 3 322.496 4.407 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[N@H+](CCC)C[C@H]1CCCNC1 ZINC001236661303 1055218271 /nfs/dbraw/zinc/21/82/71/1055218271.db2.gz BVQPSAYSCDWCNE-PMACEKPBSA-N 1 3 302.506 4.109 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)C[C@H]1CCCNC1 ZINC001236661303 1055218281 /nfs/dbraw/zinc/21/82/81/1055218281.db2.gz BVQPSAYSCDWCNE-PMACEKPBSA-N 1 3 302.506 4.109 20 0 DIADHO CCCN(Cc1sc(Cl)c2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001236842894 1055286552 /nfs/dbraw/zinc/28/65/52/1055286552.db2.gz CAYNTSQXZKROJI-CYBMUJFWSA-N 1 3 322.905 4.376 20 0 DIADHO Cc1cccc(CN(C)CC2CC[NH+](C(C)C)CC2)c1Cl ZINC001236854385 1055291421 /nfs/dbraw/zinc/29/14/21/1055291421.db2.gz RDGAECYXWLIUFO-UHFFFAOYSA-N 1 3 308.897 4.201 20 0 DIADHO Cc1ccc(-c2cccc(CN3CCC[C@@](C)(C[NH3+])C3)c2)cc1 ZINC001237081812 1055361934 /nfs/dbraw/zinc/36/19/34/1055361934.db2.gz MRGZWCYTDNJFEP-NRFANRHFSA-N 1 3 308.469 4.223 20 0 DIADHO Cc1c(C[NH+]2CCC3(CN(C)C3)CC2)cccc1-c1ccccc1 ZINC001237585957 1055480423 /nfs/dbraw/zinc/48/04/23/1055480423.db2.gz SKTCABHJRJJUSX-UHFFFAOYSA-N 1 3 320.480 4.190 20 0 DIADHO CC(C)CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001620872960 1055501833 /nfs/dbraw/zinc/50/18/33/1055501833.db2.gz LLIZUYUQANHCJX-PWRODBHTSA-N 1 3 314.517 4.313 20 0 DIADHO CC(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC001620890685 1055515285 /nfs/dbraw/zinc/51/52/85/1055515285.db2.gz YAPLJWXNYGMIIB-AZUAARDMSA-N 1 3 306.538 4.445 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@@H+]3CCCC4(CCC4)C3)cc21 ZINC001237889351 1055550479 /nfs/dbraw/zinc/55/04/79/1055550479.db2.gz JADGRJODSFNNJZ-UHFFFAOYSA-N 1 3 310.485 4.454 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@H+]3CCCC4(CCC4)C3)cc21 ZINC001237889351 1055550490 /nfs/dbraw/zinc/55/04/90/1055550490.db2.gz JADGRJODSFNNJZ-UHFFFAOYSA-N 1 3 310.485 4.454 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2ccc(C)c(OCC)c2)CC1 ZINC001238076346 1055601648 /nfs/dbraw/zinc/60/16/48/1055601648.db2.gz SWWZNYNNAXTGII-UHFFFAOYSA-N 1 3 318.505 4.090 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2ccc(C)c(OCC)c2)CC1 ZINC001238076346 1055601657 /nfs/dbraw/zinc/60/16/57/1055601657.db2.gz SWWZNYNNAXTGII-UHFFFAOYSA-N 1 3 318.505 4.090 20 0 DIADHO CCCCCCc1ccc(C[NH+]2CCC3(CN(C)C3)CC2)s1 ZINC001238703154 1055725329 /nfs/dbraw/zinc/72/53/29/1055725329.db2.gz LIGCJNONUSLLDA-UHFFFAOYSA-N 1 3 320.546 4.399 20 0 DIADHO Cc1cc(F)cc(Cl)c1CN1CCC2(CC1)CC[NH+](C)CC2 ZINC001238788953 1055753319 /nfs/dbraw/zinc/75/33/19/1055753319.db2.gz PYXXDTDEQQGPGA-UHFFFAOYSA-N 1 3 324.871 4.095 20 0 DIADHO c1ccc(CCN2CC[C@@H](C[NH2+]CC3CCCCCC3)C2)cc1 ZINC001620770258 1055938052 /nfs/dbraw/zinc/93/80/52/1055938052.db2.gz HBVLEUJAXAOQKE-NRFANRHFSA-N 1 3 314.517 4.111 20 0 DIADHO C[C@H](CC[NH2+]Cc1ccc(-c2ccccc2Cl)s1)N(C)C ZINC001621021752 1055987660 /nfs/dbraw/zinc/98/76/60/1055987660.db2.gz VYBQOJLAGWEJQK-CYBMUJFWSA-N 1 3 322.905 4.498 20 0 DIADHO CN(Cc1ccc(-c2ccc(C[NH2+]C(C)(C)C)cc2)nc1)C1CC1 ZINC001240365694 1056450604 /nfs/dbraw/zinc/45/06/04/1056450604.db2.gz AXDWQBGHBHDIFN-UHFFFAOYSA-N 1 3 323.484 4.231 20 0 DIADHO CN(C)/C=C/c1ccncc1-c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC001240378500 1056462491 /nfs/dbraw/zinc/46/24/91/1056462491.db2.gz WVXQWXPUKPKQGL-ACCUITESSA-N 1 3 309.457 4.169 20 0 DIADHO C[C@H](Cc1ccc(Cl)cc1)N(C)CCC[NH+]1CCCCC1 ZINC001615510493 1056527193 /nfs/dbraw/zinc/52/71/93/1056527193.db2.gz TVSNFIWBLYHNFD-MRXNPFEDSA-N 1 3 308.897 4.079 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC1(C)C ZINC001168702940 1056858181 /nfs/dbraw/zinc/85/81/81/1056858181.db2.gz XJOLWVLBSOXLOY-CQSZACIVSA-N 1 3 320.908 4.048 20 0 DIADHO C[NH+]1C(C)(C)CC(N[C@@H]2Cc3cccc(Cl)c3C2)CC1(C)C ZINC001168702940 1056858189 /nfs/dbraw/zinc/85/81/89/1056858189.db2.gz XJOLWVLBSOXLOY-CQSZACIVSA-N 1 3 320.908 4.048 20 0 DIADHO CC[NH+](CC)Cc1ccc(-c2ccc(CN(C)C3CC3)cn2)cc1 ZINC001241575820 1057096015 /nfs/dbraw/zinc/09/60/15/1057096015.db2.gz OTYGCOPKYJTXNH-UHFFFAOYSA-N 1 3 323.484 4.185 20 0 DIADHO c1cc(-c2ccccc2)sc1CNC1CC[NH+](C2CC2)CC1 ZINC000073381208 1057508094 /nfs/dbraw/zinc/50/80/94/1057508094.db2.gz PCFROHHJFBIJLB-UHFFFAOYSA-N 1 3 312.482 4.132 20 0 DIADHO C[NH2+]Cc1ccc(-c2ccc(CN3CCCCC3)c(F)c2)cc1 ZINC001242993614 1057539309 /nfs/dbraw/zinc/53/93/09/1057539309.db2.gz UUVJZHYRMSWJKD-UHFFFAOYSA-N 1 3 312.432 4.198 20 0 DIADHO Cc1ccccc1[C@H](CC(C)C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000161661207 1057600502 /nfs/dbraw/zinc/60/05/02/1057600502.db2.gz SGWNKSIGJIFGTR-NSHGMRRFSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccccc1[C@H](CC(C)C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161661207 1057600507 /nfs/dbraw/zinc/60/05/07/1057600507.db2.gz SGWNKSIGJIFGTR-NSHGMRRFSA-N 1 3 300.490 4.299 20 0 DIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246108201 1058681916 /nfs/dbraw/zinc/68/19/16/1058681916.db2.gz GPNDMAABNJDENW-OUCADQQQSA-N 1 3 315.288 4.045 20 0 DIADHO CCC(C)(C)C1CCC(NC[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC001246112336 1058681960 /nfs/dbraw/zinc/68/19/60/1058681960.db2.gz NRXCHQCMNCMFHI-ZBCRRDGASA-N 1 3 320.443 4.113 20 0 DIADHO FC(F)(F)[C@@]1(CNC2CCC3(CCCCC3)CC2)CC[NH2+]C1 ZINC001246114021 1058684419 /nfs/dbraw/zinc/68/44/19/1058684419.db2.gz ROZXSBCSHFRMGS-INIZCTEOSA-N 1 3 318.427 4.011 20 0 DIADHO CC(C)[C@@H]1C[C@@H](NCCc2ccc(-c3ccccc3)cc2)CC[NH2+]1 ZINC001246162844 1058705916 /nfs/dbraw/zinc/70/59/16/1058705916.db2.gz IQMFAYUHVKUXDV-VXKWHMMOSA-N 1 3 322.496 4.262 20 0 DIADHO CC[C@H]1C[C@@H](NCCc2cccc(Oc3ccccc3)c2)CC[NH2+]1 ZINC001246160627 1058706396 /nfs/dbraw/zinc/70/63/96/1058706396.db2.gz UHBDFCOTAHYULH-OALUTQOASA-N 1 3 324.468 4.142 20 0 DIADHO CC[C@@H]([NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246164188 1058709124 /nfs/dbraw/zinc/70/91/24/1058709124.db2.gz MNRBABVTBXPMIY-PWRODBHTSA-N 1 3 308.469 4.091 20 0 DIADHO CC[C@@H]1C[C@H](NCC(C)(c2ccccc2)c2ccccc2)CC[NH2+]1 ZINC001246177604 1058724055 /nfs/dbraw/zinc/72/40/55/1058724055.db2.gz CBYJLZHNYABNQH-NHCUHLMSSA-N 1 3 322.496 4.113 20 0 DIADHO CC[C@H](N[C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC001246179789 1058728517 /nfs/dbraw/zinc/72/85/17/1058728517.db2.gz RRWXPZVBKIYNPQ-UFYCRDLUSA-N 1 3 312.432 4.360 20 0 DIADHO CCC(CC)(N[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)c1ccccc1 ZINC001246186248 1058730126 /nfs/dbraw/zinc/73/01/26/1058730126.db2.gz YHQXIJFHFUMMFK-MSOLQXFVSA-N 1 3 302.506 4.458 20 0 DIADHO c1ccc(C2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4)CCCCCC2)cc1 ZINC001246192912 1058733607 /nfs/dbraw/zinc/73/36/07/1058733607.db2.gz DGDOGIWFKNROJP-ACDBMABISA-N 1 3 312.501 4.499 20 0 DIADHO c1ccc(C2(N[C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CCCCCC2)cc1 ZINC001246192912 1058733617 /nfs/dbraw/zinc/73/36/17/1058733617.db2.gz DGDOGIWFKNROJP-ACDBMABISA-N 1 3 312.501 4.499 20 0 DIADHO C[C@@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccc3ccccc3c2)C[C@H](C)N1 ZINC001246190529 1058735231 /nfs/dbraw/zinc/73/52/31/1058735231.db2.gz FSULDEPCYBVETA-CWPLJXCYSA-N 1 3 310.485 4.280 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@@H]1CCNC[C@H]1C ZINC001246213125 1058745151 /nfs/dbraw/zinc/74/51/51/1058745151.db2.gz YYIPYCJZQYRULT-JBYIUTFZSA-N 1 3 322.496 4.185 20 0 DIADHO CC[C@H](N[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccc(C)cc1 ZINC001246230977 1058753013 /nfs/dbraw/zinc/75/30/13/1058753013.db2.gz BZTBFZPVBCBYDB-VSKRKVRLSA-N 1 3 322.496 4.399 20 0 DIADHO CC[C@H]([NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1)c1ccc(C)cc1 ZINC001246230977 1058753033 /nfs/dbraw/zinc/75/30/33/1058753033.db2.gz BZTBFZPVBCBYDB-VSKRKVRLSA-N 1 3 322.496 4.399 20 0 DIADHO CCCc1ccc(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC001246229813 1058754850 /nfs/dbraw/zinc/75/48/50/1058754850.db2.gz LSOYGQMYXISTMA-LEWJYISDSA-N 1 3 308.469 4.222 20 0 DIADHO CC(C)[C@@H](N[C@@H]1CC[NH2+]C2(CCCCC2)C1)c1ccccc1 ZINC001246239566 1058761962 /nfs/dbraw/zinc/76/19/62/1058761962.db2.gz OGFWWJUSIMNBMD-RTBURBONSA-N 1 3 300.490 4.428 20 0 DIADHO CCCC[C@@H]1C[C@H](NCC2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246241088 1058765896 /nfs/dbraw/zinc/76/58/96/1058765896.db2.gz WSXJCQGVSWMOQF-QZTJIDSGSA-N 1 3 320.908 4.272 20 0 DIADHO CCCC[C@H]1C[C@@H](NCC2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246241378 1058766181 /nfs/dbraw/zinc/76/61/81/1058766181.db2.gz WSXJCQGVSWMOQF-ROUUACIJSA-N 1 3 320.908 4.272 20 0 DIADHO CCCC[C@H]1C[C@H]([NH2+]CCCc2cccc(Cl)c2)CCN1 ZINC001246254908 1058775196 /nfs/dbraw/zinc/77/51/96/1058775196.db2.gz AJUUIWUONPJRAW-ZWKOTPCHSA-N 1 3 308.897 4.173 20 0 DIADHO c1oc2ccccc2c1CCN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246267545 1058784575 /nfs/dbraw/zinc/78/45/75/1058784575.db2.gz YSUKSFYMRRNWRC-QGZVFWFLSA-N 1 3 312.457 4.020 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+][C@H](C)Cc2ccc(Cl)cc2)CCN1 ZINC001246273625 1058788216 /nfs/dbraw/zinc/78/82/16/1058788216.db2.gz QONLBDZXJFEDAN-OLMNPRSZSA-N 1 3 308.897 4.171 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CCN1 ZINC001246277858 1058793468 /nfs/dbraw/zinc/79/34/68/1058793468.db2.gz BOTFBSMXMJGLGA-QDIHITRGSA-N 1 3 320.443 4.256 20 0 DIADHO C[C@H](NC1CCC2(CC[NH2+]CC2)CC1)c1c(F)cccc1Cl ZINC001246298663 1058813588 /nfs/dbraw/zinc/81/35/88/1058813588.db2.gz ZWZCYPGMSOFIOX-ZDUSSCGKSA-N 1 3 324.871 4.442 20 0 DIADHO CC[C@@H]1C[C@@H](NC(C)(C)Cc2ccccc2F)C[C@H](CC)[NH2+]1 ZINC001246311084 1058819557 /nfs/dbraw/zinc/81/95/57/1058819557.db2.gz RPMQXFXUJKQOPK-BJWYYQGGSA-N 1 3 306.469 4.046 20 0 DIADHO CC[C@@H]1C[C@H](NC(C)(C)Cc2ccccc2F)C[C@H](CC)[NH2+]1 ZINC001246311087 1058819791 /nfs/dbraw/zinc/81/97/91/1058819791.db2.gz RPMQXFXUJKQOPK-FVQHAEBGSA-N 1 3 306.469 4.046 20 0 DIADHO CC[C@@H](N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccc(OC)c1 ZINC001246310947 1058821558 /nfs/dbraw/zinc/82/15/58/1058821558.db2.gz AQANMXPWTUPQGX-CEWLAPEOSA-N 1 3 324.468 4.229 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc3C2)CCN1 ZINC001246311874 1058822175 /nfs/dbraw/zinc/82/21/75/1058822175.db2.gz UTQDONAUHAFNPC-QRVBRYPASA-N 1 3 320.908 4.098 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+]CCC2CCC(F)(F)CC2)CCN1 ZINC001246321298 1058832860 /nfs/dbraw/zinc/83/28/60/1058832860.db2.gz MHGUQHNURLLVMB-HZPDHXFCSA-N 1 3 302.453 4.102 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001246324524 1058834186 /nfs/dbraw/zinc/83/41/86/1058834186.db2.gz HMVHYIVWHSVUGD-JBYIUTFZSA-N 1 3 322.496 4.327 20 0 DIADHO CCC[C@H](CCc1ccccc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246331120 1058844591 /nfs/dbraw/zinc/84/45/91/1058844591.db2.gz HSZRNKPALBFPMK-ZRNYENFQSA-N 1 3 300.490 4.051 20 0 DIADHO C[C@@H]1CCC[C@H](NC2(c3ccc(Cl)cc3)CC[NH2+]CC2)C1 ZINC001246339919 1058846091 /nfs/dbraw/zinc/84/60/91/1058846091.db2.gz GYGDMPUMLRRCID-PBHICJAKSA-N 1 3 306.881 4.087 20 0 DIADHO CC1(C)CCC[C@@H](NC2(c3ccc(Cl)cc3)CC[NH2+]CC2)C1 ZINC001246343467 1058852989 /nfs/dbraw/zinc/85/29/89/1058852989.db2.gz VCWNLYARQDZUQD-QGZVFWFLSA-N 1 3 320.908 4.477 20 0 DIADHO CC(C)c1ccc(CCN[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1 ZINC001246345125 1058857005 /nfs/dbraw/zinc/85/70/05/1058857005.db2.gz UUYRVTMQTVDBHA-MOPGFXCFSA-N 1 3 302.506 4.109 20 0 DIADHO c1ccc([C@@H]2C[C@@H](N[C@H]3CCCNc4ccccc43)CC[NH2+]2)cc1 ZINC001246358403 1058869533 /nfs/dbraw/zinc/86/95/33/1058869533.db2.gz PBASCIGZQHQVLF-YYWHXJBOSA-N 1 3 321.468 4.016 20 0 DIADHO c1ccc(C[C@@H]2C[C@H]([NH2+]Cc3cccc(C4CC4)c3)CCN2)cc1 ZINC001246366277 1058872182 /nfs/dbraw/zinc/87/21/82/1058872182.db2.gz XHNHHGNBHWFVAG-FGZHOGPDSA-N 1 3 320.480 4.017 20 0 DIADHO CCc1ccc([C@@H](C)[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246370749 1058874115 /nfs/dbraw/zinc/87/41/15/1058874115.db2.gz GRWLJNVYUICDPQ-VOQZNFBZSA-N 1 3 322.496 4.263 20 0 DIADHO C[C@@H](CC(C)(C)SCc1ccco1)[NH2+][C@@H]1CCNCC1(C)C ZINC001246370717 1058874355 /nfs/dbraw/zinc/87/43/55/1058874355.db2.gz GKAAKWDCKUYDFO-GOEBONIOSA-N 1 3 324.534 4.048 20 0 DIADHO CC1(C)CC[C@H]([NH2+]C2(c3ccccc3Cl)CCNCC2)C1 ZINC001246374767 1058877475 /nfs/dbraw/zinc/87/74/75/1058877475.db2.gz LQVVWEOCVHZXJH-AWEZNQCLSA-N 1 3 306.881 4.087 20 0 DIADHO CCCCC[C@H](CC)[NH2+]C1(c2ccccc2OC)CCNCC1 ZINC001246374490 1058877679 /nfs/dbraw/zinc/87/76/79/1058877679.db2.gz DREZMDQNDARRDK-KRWDZBQOSA-N 1 3 318.505 4.222 20 0 DIADHO C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3Cl)CCNCC2)C[C@H]1C ZINC001246378886 1058882000 /nfs/dbraw/zinc/88/20/00/1058882000.db2.gz VEWZDUMVMZRVMI-BZUAXINKSA-N 1 3 320.908 4.333 20 0 DIADHO CC(C)CCC[C@H](C)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246380940 1058882425 /nfs/dbraw/zinc/88/24/25/1058882425.db2.gz KXCPJFFYBXKODW-KRWDZBQOSA-N 1 3 320.496 4.295 20 0 DIADHO CCCC[C@@H](CC)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246381863 1058888134 /nfs/dbraw/zinc/88/81/34/1058888134.db2.gz SQBPBSUMMABPSI-QGZVFWFLSA-N 1 3 306.469 4.049 20 0 DIADHO C[C@H]1CCC[C@@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)C1 ZINC001246382642 1058888370 /nfs/dbraw/zinc/88/83/70/1058888370.db2.gz ZASZAUHQKBRIQI-DOTOQJQBSA-N 1 3 320.908 4.173 20 0 DIADHO CCC[C@@H](CC)[NH2+]C1(Cc2ccc(Cl)cc2)CCNCC1 ZINC001246384799 1058888929 /nfs/dbraw/zinc/88/89/29/1058888929.db2.gz BXQGLMAAWDGKQF-QGZVFWFLSA-N 1 3 308.897 4.173 20 0 DIADHO c1ccc([C@@H]2CCC[C@@H]([NH2+]C3(CC4CC4)CCNCC3)C2)cc1 ZINC001246382696 1058889166 /nfs/dbraw/zinc/88/91/66/1058889166.db2.gz ZMLKZRODOPYPBQ-WOJBJXKFSA-N 1 3 312.501 4.225 20 0 DIADHO c1ccc(C2CCC([NH2+]C3(CC4CC4)CCNCC3)CC2)cc1 ZINC001246382372 1058889213 /nfs/dbraw/zinc/88/92/13/1058889213.db2.gz WQXPTDYWLXCTHF-UHFFFAOYSA-N 1 3 312.501 4.225 20 0 DIADHO CC1(C)CC[C@@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)C1 ZINC001246381548 1058889543 /nfs/dbraw/zinc/88/95/43/1058889543.db2.gz PRJZYHMXQXUAGD-MRXNPFEDSA-N 1 3 320.908 4.173 20 0 DIADHO CC[C@@H]1CC(NC2(Cc3cccc(F)c3)CCC2)C[C@@H](CC)[NH2+]1 ZINC001246388466 1058891247 /nfs/dbraw/zinc/89/12/47/1058891247.db2.gz HQEBJYWVKPNVFC-QZTJIDSGSA-N 1 3 318.480 4.190 20 0 DIADHO CCCC[C@H]1C[C@H]([NH2+]CC2(Cc3ccc(C)cc3)CC2)CCN1 ZINC001246387286 1058891364 /nfs/dbraw/zinc/89/13/64/1058891364.db2.gz XXGKZYVXXDANAI-VQTJNVASSA-N 1 3 314.517 4.218 20 0 DIADHO Cc1cccc(C(C)(C)[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)c1 ZINC001246388909 1058892164 /nfs/dbraw/zinc/89/21/64/1058892164.db2.gz NOIZFAIAALAWHR-NHCUHLMSSA-N 1 3 322.496 4.183 20 0 DIADHO CC[C@H]1CC(NC2(Cc3cccc(F)c3)CCC2)C[C@H](CC)[NH2+]1 ZINC001246388468 1058894971 /nfs/dbraw/zinc/89/49/71/1058894971.db2.gz HQEBJYWVKPNVFC-ROUUACIJSA-N 1 3 318.480 4.190 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)CCN1 ZINC001246391627 1058898872 /nfs/dbraw/zinc/89/88/72/1058898872.db2.gz NYPSRKYYCMFAQI-RTBURBONSA-N 1 3 318.480 4.191 20 0 DIADHO Fc1cccc([C@H](N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C2CC2)c1 ZINC001246399164 1058900658 /nfs/dbraw/zinc/90/06/58/1058900658.db2.gz GGOXSOXUGMTYQS-PCCBWWKXSA-N 1 3 324.443 4.360 20 0 DIADHO Fc1cccc([C@H](N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C2CC2)c1 ZINC001246399161 1058901620 /nfs/dbraw/zinc/90/16/20/1058901620.db2.gz GGOXSOXUGMTYQS-NJDAHSKKSA-N 1 3 324.443 4.360 20 0 DIADHO Cc1cccc(C2(N[C@H]3CCC[NH2+]CC3)CCC(F)(F)CC2)c1 ZINC001246409918 1058912424 /nfs/dbraw/zinc/91/24/24/1058912424.db2.gz UZTGNWXFXRUEGQ-KRWDZBQOSA-N 1 3 322.443 4.131 20 0 DIADHO CCCCC(CCCC)[NH2+]C1(Cc2cccnc2)CCNCC1 ZINC001246422503 1058918987 /nfs/dbraw/zinc/91/89/87/1058918987.db2.gz UKRKPIYROAOOKI-UHFFFAOYSA-N 1 3 317.521 4.085 20 0 DIADHO CC[C@@H](C)C[C@H](CC)NC1(c2cccc(OC)c2)CC[NH2+]CC1 ZINC001246417501 1058919908 /nfs/dbraw/zinc/91/99/08/1058919908.db2.gz XQYJZSNGHZMHBV-AEFFLSMTSA-N 1 3 318.505 4.078 20 0 DIADHO CCC1([NH2+][C@@H](C)CC(C)(C)SCc2ccco2)CCNCC1 ZINC001246425616 1058921745 /nfs/dbraw/zinc/92/17/45/1058921745.db2.gz YLLPRZFNSCRIKL-HNNXBMFYSA-N 1 3 324.534 4.192 20 0 DIADHO C[C@H]1CCC[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)C1 ZINC001246426478 1058923681 /nfs/dbraw/zinc/92/36/81/1058923681.db2.gz BRDIFZJNEVOQKR-YJBOKZPZSA-N 1 3 320.908 4.173 20 0 DIADHO CC(C)(C)[C@H]1C[C@H]([NH2+]CC(C)(C)Cc2ccc(F)cc2)CCN1 ZINC001246430513 1058924954 /nfs/dbraw/zinc/92/49/54/1058924954.db2.gz GGJMJXRECPUYOZ-QZTJIDSGSA-N 1 3 320.496 4.151 20 0 DIADHO CC(C)C1CCC(NC2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC001246433154 1058927574 /nfs/dbraw/zinc/92/75/74/1058927574.db2.gz YTYHWXAJVYJXFX-UHFFFAOYSA-N 1 3 300.490 4.070 20 0 DIADHO Cc1ccccc1CC(C)(C)C[NH2+][C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246433872 1058928322 /nfs/dbraw/zinc/92/83/22/1058928322.db2.gz KLJYAWJZIFKHCN-RTBURBONSA-N 1 3 316.533 4.320 20 0 DIADHO CC[C@H]1CC[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)C1 ZINC001246436044 1058928942 /nfs/dbraw/zinc/92/89/42/1058928942.db2.gz ISMPXDUSDDBQHZ-YJBOKZPZSA-N 1 3 320.908 4.173 20 0 DIADHO C[C@H]1C[C@H](NC2(c3cccc(F)c3)CC[NH2+]CC2)CC(C)(C)C1 ZINC001246439096 1058929217 /nfs/dbraw/zinc/92/92/17/1058929217.db2.gz TUVRFHODWYEVRF-YJBOKZPZSA-N 1 3 318.480 4.209 20 0 DIADHO CCCC[C@H]1C[C@H]([NH2+]CC2(Cc3cccc(F)c3)CC2)CCN1 ZINC001246439270 1058932957 /nfs/dbraw/zinc/93/29/57/1058932957.db2.gz NXUZRKPGZMBHHT-RBUKOAKNSA-N 1 3 318.480 4.049 20 0 DIADHO CCCC[C@H]1C[C@H]([NH2+]CC(C)(C)Cc2ccccc2F)CCN1 ZINC001246439264 1058933835 /nfs/dbraw/zinc/93/38/35/1058933835.db2.gz NUYLPZSQZVOKGM-ZWKOTPCHSA-N 1 3 320.496 4.295 20 0 DIADHO Fc1ccccc1C1([NH2+]C2CCCCCCC2)CCNCC1 ZINC001246439537 1058935543 /nfs/dbraw/zinc/93/55/43/1058935543.db2.gz YUMJBIKXOCZBQC-UHFFFAOYSA-N 1 3 304.453 4.107 20 0 DIADHO CC[C@@H](C)C[C@H](CC)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246452420 1058941162 /nfs/dbraw/zinc/94/11/62/1058941162.db2.gz FQGSXRJKZMCJQE-MJGOQNOKSA-N 1 3 302.506 4.156 20 0 DIADHO CC(C)C[C@H](C)C[C@H](C)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246457393 1058945404 /nfs/dbraw/zinc/94/54/04/1058945404.db2.gz KQFFGZPDXSYONB-OALUTQOASA-N 1 3 316.533 4.402 20 0 DIADHO CCCCC[C@H](CC)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246460037 1058945793 /nfs/dbraw/zinc/94/57/93/1058945793.db2.gz LORVWAPEOYWBNA-IBGZPJMESA-N 1 3 320.496 4.439 20 0 DIADHO CCC[C@@H](N[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246461521 1058948299 /nfs/dbraw/zinc/94/82/99/1058948299.db2.gz LDMOFXCKOBTOGB-FDFHNCONSA-N 1 3 322.496 4.481 20 0 DIADHO CCC[C@@H]([NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246461521 1058948313 /nfs/dbraw/zinc/94/83/13/1058948313.db2.gz LDMOFXCKOBTOGB-FDFHNCONSA-N 1 3 322.496 4.481 20 0 DIADHO CC[C@@]1([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)CCNC1 ZINC001246461305 1058949661 /nfs/dbraw/zinc/94/96/61/1058949661.db2.gz ORFVXHCPVGYMAQ-VMWRSERWSA-N 1 3 306.881 4.098 20 0 DIADHO CCCCCC[C@@H](C)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246469958 1058955937 /nfs/dbraw/zinc/95/59/37/1058955937.db2.gz XYGBQDSQRGQLIK-GOSISDBHSA-N 1 3 302.506 4.300 20 0 DIADHO CCCC[C@@H]1C[C@@H](N[C@H]2CCCCc3ccccc32)CC[NH2+]1 ZINC001246499462 1058973831 /nfs/dbraw/zinc/97/38/31/1058973831.db2.gz YWKZOPPYTIVIQZ-HBFSDRIKSA-N 1 3 300.490 4.355 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H](N[C@H]2CCCCc3ccccc32)CC[NH2+]1 ZINC001246498476 1058974094 /nfs/dbraw/zinc/97/40/94/1058974094.db2.gz RTQHKFFKLCBGKL-WDSOQIARSA-N 1 3 300.490 4.210 20 0 DIADHO c1ccc2c(c1)CCCC[C@H]2N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246499486 1058974383 /nfs/dbraw/zinc/97/43/83/1058974383.db2.gz ZLWJVIJWXDPKIZ-AZUAARDMSA-N 1 3 312.501 4.499 20 0 DIADHO Cc1cccc([C@@H]2CCC[N@@H+]2[C@@H]2CCN[C@H](C(C)(C)C)C2)c1 ZINC001246536450 1058985965 /nfs/dbraw/zinc/98/59/65/1058985965.db2.gz FNWJYVWOHAYTLA-QYZOEREBSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1cccc([C@@H]2CCC[N@H+]2[C@@H]2CCN[C@H](C(C)(C)C)C2)c1 ZINC001246536450 1058985984 /nfs/dbraw/zinc/98/59/84/1058985984.db2.gz FNWJYVWOHAYTLA-QYZOEREBSA-N 1 3 300.490 4.299 20 0 DIADHO c1ccc(CCCC2CCN([C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246536205 1058987301 /nfs/dbraw/zinc/98/73/01/1058987301.db2.gz NEHDYYWYSDFKBU-WKCHPHFGSA-N 1 3 312.501 4.004 20 0 DIADHO C[C@H]1CC([NH+]2CCC(CCCc3ccccc3)CC2)C[C@H](C)N1 ZINC001246535834 1058988110 /nfs/dbraw/zinc/98/81/10/1058988110.db2.gz MDMKBOWBASFAJC-ROUUACIJSA-N 1 3 314.517 4.250 20 0 DIADHO C[C@@H]1C[C@@H]([NH+]2CCC(CCCc3ccccc3)CC2)C[C@H](C)N1 ZINC001246535833 1058989670 /nfs/dbraw/zinc/98/96/70/1058989670.db2.gz MDMKBOWBASFAJC-RMFSNUHRSA-N 1 3 314.517 4.250 20 0 DIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@](C)(N)C1 ZINC001246540168 1058993077 /nfs/dbraw/zinc/99/30/77/1058993077.db2.gz LGYMPQCFYLWNAE-BLLLJJGKSA-N 1 3 315.288 4.128 20 0 DIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@](C)(N)C1 ZINC001246540168 1058993090 /nfs/dbraw/zinc/99/30/90/1058993090.db2.gz LGYMPQCFYLWNAE-BLLLJJGKSA-N 1 3 315.288 4.128 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)N1CCC[C@@H]([NH3+])CC1 ZINC001246542519 1058994174 /nfs/dbraw/zinc/99/41/74/1058994174.db2.gz PUPASPDXWBKVIT-TZMCWYRMSA-N 1 3 315.288 4.128 20 0 DIADHO C[C@H](CSc1ccc(Cl)cc1)N1CCC[C@](C)([NH3+])CC1 ZINC001246555259 1058996561 /nfs/dbraw/zinc/99/65/61/1058996561.db2.gz WSPFXHNUXMLETE-CJNGLKHVSA-N 1 3 312.910 4.024 20 0 DIADHO C[C@H](CSc1ccc(Cl)cc1)N1CCC[C@@](C)([NH3+])CC1 ZINC001246555267 1059000077 /nfs/dbraw/zinc/00/00/77/1059000077.db2.gz WSPFXHNUXMLETE-CZUORRHYSA-N 1 3 312.910 4.024 20 0 DIADHO CC(C)C[N@H+](Cc1ccccc1)[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246562260 1059002155 /nfs/dbraw/zinc/00/21/55/1059002155.db2.gz XKLRZRPIHAPGBH-OALUTQOASA-N 1 3 302.506 4.311 20 0 DIADHO CC(C)C[N@@H+](Cc1ccccc1)[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246562260 1059002177 /nfs/dbraw/zinc/00/21/77/1059002177.db2.gz XKLRZRPIHAPGBH-OALUTQOASA-N 1 3 302.506 4.311 20 0 DIADHO Fc1ccc([C@@H]2CCCN2[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC001246564508 1059004587 /nfs/dbraw/zinc/00/45/87/1059004587.db2.gz XOIGMZCMAXRNQW-HBMCJLEFSA-N 1 3 324.443 4.456 20 0 DIADHO Fc1ccc([C@@H]2CCCN2[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC001246564514 1059004768 /nfs/dbraw/zinc/00/47/68/1059004768.db2.gz XOIGMZCMAXRNQW-NJYVYQBISA-N 1 3 324.443 4.456 20 0 DIADHO CCCCCC1CCC(N2CCC(F)(F)[C@H](C[NH3+])C2)CC1 ZINC001246562732 1059005250 /nfs/dbraw/zinc/00/52/50/1059005250.db2.gz ZHUJWWSLKUEKOW-HWOWSKLDSA-N 1 3 302.453 4.041 20 0 DIADHO Cc1ccc(CC[C@H](C)[N@@H+](C(C)C)[C@H]2CCCNCC2)cc1 ZINC001246581806 1059010377 /nfs/dbraw/zinc/01/03/77/1059010377.db2.gz AWEMXCGDUDCYMX-ICSRJNTNSA-N 1 3 302.506 4.169 20 0 DIADHO Cc1ccc(CC[C@H](C)[N@H+](C(C)C)[C@H]2CCCNCC2)cc1 ZINC001246581806 1059010397 /nfs/dbraw/zinc/01/03/97/1059010397.db2.gz AWEMXCGDUDCYMX-ICSRJNTNSA-N 1 3 302.506 4.169 20 0 DIADHO CC(C)[N@H+]([C@@H]1CCc2cc(Cl)ccc2C1)[C@H]1CCCNCC1 ZINC001246581822 1059011374 /nfs/dbraw/zinc/01/13/74/1059011374.db2.gz AXIKYMPDXLPYSG-RBUKOAKNSA-N 1 3 320.908 4.050 20 0 DIADHO CC(C)[N@@H+]([C@@H]1CCc2cc(Cl)ccc2C1)[C@H]1CCCNCC1 ZINC001246581822 1059011392 /nfs/dbraw/zinc/01/13/92/1059011392.db2.gz AXIKYMPDXLPYSG-RBUKOAKNSA-N 1 3 320.908 4.050 20 0 DIADHO C[C@@H]1CC([NH+]2CCC(Cc3cccc(Cl)c3)CC2)C[C@@H](C)N1 ZINC001246596523 1059015606 /nfs/dbraw/zinc/01/56/06/1059015606.db2.gz JJOHFDCEXPPGQJ-HUUCEWRRSA-N 1 3 320.908 4.124 20 0 DIADHO CC(C)[N@H+]([C@H](C)Cc1ccc(Cl)cc1)[C@@H]1CCCNCC1 ZINC001246590674 1059015660 /nfs/dbraw/zinc/01/56/60/1059015660.db2.gz HQXIBRLCHGPFNJ-CRAIPNDOSA-N 1 3 308.897 4.124 20 0 DIADHO CC(C)[N@@H+]([C@H](C)Cc1ccc(Cl)cc1)[C@@H]1CCCNCC1 ZINC001246590674 1059015679 /nfs/dbraw/zinc/01/56/79/1059015679.db2.gz HQXIBRLCHGPFNJ-CRAIPNDOSA-N 1 3 308.897 4.124 20 0 DIADHO C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1C[C@H](CN)CC[C@H]1C ZINC001246593663 1059018553 /nfs/dbraw/zinc/01/85/53/1059018553.db2.gz SINXNHIFWRBTPP-PMPSAXMXSA-N 1 3 324.534 4.129 20 0 DIADHO C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@H](CN)CC[C@H]1C ZINC001246593663 1059018583 /nfs/dbraw/zinc/01/85/83/1059018583.db2.gz SINXNHIFWRBTPP-PMPSAXMXSA-N 1 3 324.534 4.129 20 0 DIADHO c1ccc([C@H]2CCC[C@@H](N3CCC4(CCCC[NH2+]4)CC3)C2)cc1 ZINC001246611355 1059030259 /nfs/dbraw/zinc/03/02/59/1059030259.db2.gz PDFBNDUGVLNUKI-VQTJNVASSA-N 1 3 312.501 4.321 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC001246619857 1059033481 /nfs/dbraw/zinc/03/34/81/1059033481.db2.gz JAAPAMDEOFYISC-VQTJNVASSA-N 1 3 300.490 4.006 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC001246619857 1059033500 /nfs/dbraw/zinc/03/35/00/1059033500.db2.gz JAAPAMDEOFYISC-VQTJNVASSA-N 1 3 300.490 4.006 20 0 DIADHO Cc1ccc(SC[C@@H](C)N2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001246628651 1059039593 /nfs/dbraw/zinc/03/95/93/1059039593.db2.gz BXTQUYZCOJCCTI-MJGOQNOKSA-N 1 3 318.530 4.084 20 0 DIADHO Cc1ccc(SC[C@H](C)N2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001246628648 1059041339 /nfs/dbraw/zinc/04/13/39/1059041339.db2.gz BXTQUYZCOJCCTI-HKUYNNGSSA-N 1 3 318.530 4.084 20 0 DIADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CCCCC12CCNCC2 ZINC001246648426 1059047111 /nfs/dbraw/zinc/04/71/11/1059047111.db2.gz PRCONAZTVWUQAW-LJQANCHMSA-N 1 3 300.490 4.006 20 0 DIADHO CCC[C@H](Cc1ccccc1)[N@H+]1CCCCC12CCNCC2 ZINC001246648426 1059047133 /nfs/dbraw/zinc/04/71/33/1059047133.db2.gz PRCONAZTVWUQAW-LJQANCHMSA-N 1 3 300.490 4.006 20 0 DIADHO Clc1ccc(C2CCC([N@@H+]3CCC34CCNCC4)CC2)cc1 ZINC001246642172 1059048983 /nfs/dbraw/zinc/04/89/83/1059048983.db2.gz KWWDYEQUNAZFAE-UHFFFAOYSA-N 1 3 318.892 4.194 20 0 DIADHO Clc1ccc(C2CCC([N@H+]3CCC34CCNCC4)CC2)cc1 ZINC001246642172 1059049010 /nfs/dbraw/zinc/04/90/10/1059049010.db2.gz KWWDYEQUNAZFAE-UHFFFAOYSA-N 1 3 318.892 4.194 20 0 DIADHO CC(C)CC[C@H](C)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246675154 1059060227 /nfs/dbraw/zinc/06/02/27/1059060227.db2.gz WHBXALSBHSFGON-CEWLAPEOSA-N 1 3 314.517 4.064 20 0 DIADHO CC(C)CC[C@H](C)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246675154 1059060248 /nfs/dbraw/zinc/06/02/48/1059060248.db2.gz WHBXALSBHSFGON-CEWLAPEOSA-N 1 3 314.517 4.064 20 0 DIADHO CCCC(CCC)N1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246677487 1059065927 /nfs/dbraw/zinc/06/59/27/1059065927.db2.gz VBGSJABXMHCTHD-WOJBJXKFSA-N 1 3 300.490 4.177 20 0 DIADHO CCC(C)(C)C1CCC([N@@H+]2CC[C@]3(C2)CNCC[C@@H]3F)CC1 ZINC001246687704 1059068776 /nfs/dbraw/zinc/06/87/76/1059068776.db2.gz DWNHXORARDGOAY-BXNZUYAZSA-N 1 3 310.501 4.005 20 0 DIADHO CCC(C)(C)C1CCC([N@H+]2CC[C@]3(C2)CNCC[C@@H]3F)CC1 ZINC001246687704 1059068800 /nfs/dbraw/zinc/06/88/00/1059068800.db2.gz DWNHXORARDGOAY-BXNZUYAZSA-N 1 3 310.501 4.005 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H](CN)C1 ZINC001246779444 1059077819 /nfs/dbraw/zinc/07/78/19/1059077819.db2.gz GYAWZHONPAFBCA-RTBURBONSA-N 1 3 322.496 4.268 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H](CN)C1 ZINC001246779444 1059077843 /nfs/dbraw/zinc/07/78/43/1059077843.db2.gz GYAWZHONPAFBCA-RTBURBONSA-N 1 3 322.496 4.268 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246776544 1059078725 /nfs/dbraw/zinc/07/87/25/1059078725.db2.gz OBQCPAYPOHZMAV-UFYCRDLUSA-N 1 3 314.517 4.108 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246776544 1059078742 /nfs/dbraw/zinc/07/87/42/1059078742.db2.gz OBQCPAYPOHZMAV-UFYCRDLUSA-N 1 3 314.517 4.108 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246782852 1059080516 /nfs/dbraw/zinc/08/05/16/1059080516.db2.gz LLOMSJNWMOLBAO-MJMGGKPFSA-N 1 3 304.522 4.198 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246782852 1059080540 /nfs/dbraw/zinc/08/05/40/1059080540.db2.gz LLOMSJNWMOLBAO-MJMGGKPFSA-N 1 3 304.522 4.198 20 0 DIADHO C[N@H+]([C@@H]1CCN[C@@H](C(C)(C)C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246783591 1059083518 /nfs/dbraw/zinc/08/35/18/1059083518.db2.gz PKALHRVIAYPQLS-JFNPMQPZSA-N 1 3 304.522 4.054 20 0 DIADHO C[N@@H+]([C@@H]1CCN[C@@H](C(C)(C)C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246783591 1059083540 /nfs/dbraw/zinc/08/35/40/1059083540.db2.gz PKALHRVIAYPQLS-JFNPMQPZSA-N 1 3 304.522 4.054 20 0 DIADHO CCCC[C@@H]1C[C@H](N2CCC[C@@H]2c2ccc(OC)cc2)CC[NH2+]1 ZINC001246788338 1059087010 /nfs/dbraw/zinc/08/70/10/1059087010.db2.gz RDOOVNNCMDODHC-QWFCFKBJSA-N 1 3 316.489 4.143 20 0 DIADHO C[N@H+]([C@@H]1CCNC2(CCCCC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246783967 1059087306 /nfs/dbraw/zinc/08/73/06/1059087306.db2.gz SEYCFUACIMMLGM-VJJCQHNBSA-N 1 3 316.533 4.342 20 0 DIADHO C[N@@H+]([C@@H]1CCNC2(CCCCC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246783967 1059087327 /nfs/dbraw/zinc/08/73/27/1059087327.db2.gz SEYCFUACIMMLGM-VJJCQHNBSA-N 1 3 316.533 4.342 20 0 DIADHO CC[C@@H]1CC(N2CCC(c3ccc(F)cc3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246785079 1059089002 /nfs/dbraw/zinc/08/90/02/1059089002.db2.gz JUDYLBUKTXQPMB-RTBURBONSA-N 1 3 318.480 4.314 20 0 DIADHO CC[C@@H]1C[C@H](N2CCC[C@H]2c2ccc(OC)cc2)C[C@H](CC)[NH2+]1 ZINC001246790487 1059090726 /nfs/dbraw/zinc/09/07/26/1059090726.db2.gz WSUSULINNXTGAM-XFKSJGNHSA-N 1 3 316.489 4.141 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H](N2CCC(c3cccs3)CC2)CC[NH2+]1 ZINC001246788730 1059093171 /nfs/dbraw/zinc/09/31/71/1059093171.db2.gz IETRGQYXRFAREQ-WBVHZDCISA-N 1 3 306.519 4.094 20 0 DIADHO C[NH2+]C1CCN(C2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC001246806959 1059101777 /nfs/dbraw/zinc/10/17/77/1059101777.db2.gz PKXZQWZGVSCAFT-UHFFFAOYSA-N 1 3 306.881 4.050 20 0 DIADHO C[Si](C)(C)C[N@H+](Cc1ccccc1)[C@@H]1CCNC2(CCC2)C1 ZINC001246814319 1059104705 /nfs/dbraw/zinc/10/47/05/1059104705.db2.gz PYFQLAPJFIAXKL-GOSISDBHSA-N 1 3 316.565 4.041 20 0 DIADHO C[Si](C)(C)C[N@@H+](Cc1ccccc1)[C@@H]1CCNC2(CCC2)C1 ZINC001246814319 1059104715 /nfs/dbraw/zinc/10/47/15/1059104715.db2.gz PYFQLAPJFIAXKL-GOSISDBHSA-N 1 3 316.565 4.041 20 0 DIADHO CC1(C)C[C@H](N2CCc3ccccc3[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246807857 1059107182 /nfs/dbraw/zinc/10/71/82/1059107182.db2.gz UEMVSOZRQPQWTA-CTNGQTDRSA-N 1 3 320.480 4.165 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@H](N)CC[C@@H]1C ZINC001246818425 1059109281 /nfs/dbraw/zinc/10/92/81/1059109281.db2.gz BYJCSQSGOBORTL-MBNYWOFBSA-N 1 3 315.288 4.126 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1C[C@H](N)CC[C@@H]1C ZINC001246818425 1059109296 /nfs/dbraw/zinc/10/92/96/1059109296.db2.gz BYJCSQSGOBORTL-MBNYWOFBSA-N 1 3 315.288 4.126 20 0 DIADHO c1ccc(CCN(Cc2ccccc2)[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246841419 1059118434 /nfs/dbraw/zinc/11/84/34/1059118434.db2.gz RGOIZLXNAHGALO-ZBYYUNFXSA-N 1 3 320.480 4.014 20 0 DIADHO CC1(C)C[C@H]([N@H+](CCc2ccccc2)Cc2ccccc2)CCN1 ZINC001246842703 1059119190 /nfs/dbraw/zinc/11/91/90/1059119190.db2.gz UUMDGBWNGLNEAU-OAQYLSRUSA-N 1 3 322.496 4.262 20 0 DIADHO CC1(C)C[C@H]([N@@H+](CCc2ccccc2)Cc2ccccc2)CCN1 ZINC001246842703 1059119201 /nfs/dbraw/zinc/11/92/01/1059119201.db2.gz UUMDGBWNGLNEAU-OAQYLSRUSA-N 1 3 322.496 4.262 20 0 DIADHO CC(C)[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](c3ccccc3)CC2)CCN1 ZINC001246843038 1059124071 /nfs/dbraw/zinc/12/40/71/1059124071.db2.gz DKZJPKFXMSKNRV-UFYCRDLUSA-N 1 3 300.490 4.033 20 0 DIADHO CC(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)CC2)CCN1 ZINC001246843038 1059124082 /nfs/dbraw/zinc/12/40/82/1059124082.db2.gz DKZJPKFXMSKNRV-UFYCRDLUSA-N 1 3 300.490 4.033 20 0 DIADHO Fc1ccc([C@H]2CCN([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)cc1 ZINC001246848189 1059126883 /nfs/dbraw/zinc/12/68/83/1059126883.db2.gz MOWIVDNPIKGPMC-HKUYNNGSSA-N 1 3 316.464 4.070 20 0 DIADHO Fc1ccc([C@H]2CCN([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)cc1 ZINC001246848192 1059127494 /nfs/dbraw/zinc/12/74/94/1059127494.db2.gz MOWIVDNPIKGPMC-PKOBYXMFSA-N 1 3 316.464 4.070 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H]1CCN ZINC001246848394 1059128597 /nfs/dbraw/zinc/12/85/97/1059128597.db2.gz UZYKTVRRWZBUSX-NQIIRXRSSA-N 1 3 322.496 4.410 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H]1CCN ZINC001246848394 1059128604 /nfs/dbraw/zinc/12/86/04/1059128604.db2.gz UZYKTVRRWZBUSX-NQIIRXRSSA-N 1 3 322.496 4.410 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)N1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246849761 1059129321 /nfs/dbraw/zinc/12/93/21/1059129321.db2.gz AYKCAYNDOYBYIO-PIPMEXSNSA-N 1 3 320.480 4.020 20 0 DIADHO CC(C)[C@H]1C[C@@H](N2CCC(Sc3ccccc3)CC2)CC[NH2+]1 ZINC001246872773 1059141302 /nfs/dbraw/zinc/14/13/02/1059141302.db2.gz CKYNNWRUGLZTCG-QFBILLFUSA-N 1 3 318.530 4.020 20 0 DIADHO CC[C@@H]1C[C@H](N2CCc3ccccc3[C@H]2CC)C[C@H](CC)[NH2+]1 ZINC001246868229 1059142915 /nfs/dbraw/zinc/14/29/15/1059142915.db2.gz RIEDDWLDQZMSCK-DOADOZAASA-N 1 3 300.490 4.305 20 0 DIADHO CCN(Cc1cccs1)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246880439 1059145061 /nfs/dbraw/zinc/14/50/61/1059145061.db2.gz DZAPMYPAZLBBSK-FUHWJXTLSA-N 1 3 300.471 4.063 20 0 DIADHO CSc1ccccc1[C@H]1CCC[N@@H+]1[C@H]1CCNC2(CCC2)C1 ZINC001246890226 1059152220 /nfs/dbraw/zinc/15/22/20/1059152220.db2.gz SOQXPUGPXDTBJI-DOTOQJQBSA-N 1 3 316.514 4.220 20 0 DIADHO CSc1ccccc1[C@H]1CCC[N@H+]1[C@H]1CCNC2(CCC2)C1 ZINC001246890226 1059152245 /nfs/dbraw/zinc/15/22/45/1059152245.db2.gz SOQXPUGPXDTBJI-DOTOQJQBSA-N 1 3 316.514 4.220 20 0 DIADHO CSc1ccccc1[C@H]1CCCN1[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246890226 1059152262 /nfs/dbraw/zinc/15/22/62/1059152262.db2.gz SOQXPUGPXDTBJI-DOTOQJQBSA-N 1 3 316.514 4.220 20 0 DIADHO C[N@H+]([C@H]1CCN[C@@H](C(C)(C)C)C1)C(C)(C)Cc1ccccc1 ZINC001246895777 1059161126 /nfs/dbraw/zinc/16/11/26/1059161126.db2.gz YANVJHZBEJENOJ-ZWKOTPCHSA-N 1 3 302.506 4.106 20 0 DIADHO C[N@@H+]([C@H]1CCN[C@@H](C(C)(C)C)C1)C(C)(C)Cc1ccccc1 ZINC001246895777 1059161139 /nfs/dbraw/zinc/16/11/39/1059161139.db2.gz YANVJHZBEJENOJ-ZWKOTPCHSA-N 1 3 302.506 4.106 20 0 DIADHO CCCCCC[C@H](CCC)N1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001246941568 1059190106 /nfs/dbraw/zinc/19/01/06/1059190106.db2.gz WHCRDBNOWYYXTP-RRFJBIMHSA-N 1 3 308.432 4.337 20 0 DIADHO CCN(Cc1ccc(C)c(C)c1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246905722 1059168515 /nfs/dbraw/zinc/16/85/15/1059168515.db2.gz AZAZIVRUAIHFCM-RTBURBONSA-N 1 3 302.506 4.292 20 0 DIADHO CC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H]2c2ccc(C)c(C)c2)CCN1 ZINC001246909875 1059170319 /nfs/dbraw/zinc/17/03/19/1059170319.db2.gz REXACRKTVUAUOL-AABGKKOBSA-N 1 3 300.490 4.361 20 0 DIADHO CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2c2ccc(C)c(C)c2)CCN1 ZINC001246909875 1059170324 /nfs/dbraw/zinc/17/03/24/1059170324.db2.gz REXACRKTVUAUOL-AABGKKOBSA-N 1 3 300.490 4.361 20 0 DIADHO FC(F)(F)c1ccc([C@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246920251 1059177154 /nfs/dbraw/zinc/17/71/54/1059177154.db2.gz DJLMVAKVXNITEG-FCLJQHQZSA-N 1 3 324.390 4.125 20 0 DIADHO C[C@H](Cc1ccccc1F)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246932152 1059181186 /nfs/dbraw/zinc/18/11/86/1059181186.db2.gz FIKCSNOFFDOURJ-SJORKVTESA-N 1 3 318.480 4.001 20 0 DIADHO C[C@H](Cc1ccccc1F)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246932152 1059181194 /nfs/dbraw/zinc/18/11/94/1059181194.db2.gz FIKCSNOFFDOURJ-SJORKVTESA-N 1 3 318.480 4.001 20 0 DIADHO CCC1CCC([N@H+](Cc2cccc(F)c2)C2CCNCC2)CC1 ZINC001246945787 1059191173 /nfs/dbraw/zinc/19/11/73/1059191173.db2.gz YCBXSSOJRJWGPD-UHFFFAOYSA-N 1 3 318.480 4.349 20 0 DIADHO CCC1CCC([N@@H+](Cc2cccc(F)c2)C2CCNCC2)CC1 ZINC001246945787 1059191181 /nfs/dbraw/zinc/19/11/81/1059191181.db2.gz YCBXSSOJRJWGPD-UHFFFAOYSA-N 1 3 318.480 4.349 20 0 DIADHO CCC[C@H](CC)[N@H+](Cc1cc(C)cc(F)c1)C1CCNCC1 ZINC001246951598 1059193459 /nfs/dbraw/zinc/19/34/59/1059193459.db2.gz MPJQAFCMOZJXHR-SFHVURJKSA-N 1 3 306.469 4.267 20 0 DIADHO CCC[C@H](CC)[N@@H+](Cc1cc(C)cc(F)c1)C1CCNCC1 ZINC001246951598 1059193473 /nfs/dbraw/zinc/19/34/73/1059193473.db2.gz MPJQAFCMOZJXHR-SFHVURJKSA-N 1 3 306.469 4.267 20 0 DIADHO C[C@H]1CCC[C@H]([N@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246956198 1059200308 /nfs/dbraw/zinc/20/03/08/1059200308.db2.gz QRIPJFXTTDHCJL-YOEHRIQHSA-N 1 3 322.443 4.098 20 0 DIADHO C[C@H]1CCC[C@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246956198 1059200327 /nfs/dbraw/zinc/20/03/27/1059200327.db2.gz QRIPJFXTTDHCJL-YOEHRIQHSA-N 1 3 322.443 4.098 20 0 DIADHO C[C@H]1CCC[C@H](N(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246956198 1059200334 /nfs/dbraw/zinc/20/03/34/1059200334.db2.gz QRIPJFXTTDHCJL-YOEHRIQHSA-N 1 3 322.443 4.098 20 0 DIADHO Cc1cc(F)ccc1C[N@H+](C1CCNCC1)[C@H]1CCC[C@H](C)C1 ZINC001246961259 1059205563 /nfs/dbraw/zinc/20/55/63/1059205563.db2.gz PLJQZTXICMDUFM-YWZLYKJASA-N 1 3 318.480 4.267 20 0 DIADHO Cc1cc(F)ccc1C[N@@H+](C1CCNCC1)[C@H]1CCC[C@H](C)C1 ZINC001246961259 1059205587 /nfs/dbraw/zinc/20/55/87/1059205587.db2.gz PLJQZTXICMDUFM-YWZLYKJASA-N 1 3 318.480 4.267 20 0 DIADHO C([C@@H]1CCCNC1)[N@H+](C1CC1)C1CCC2(CCCCC2)CC1 ZINC001246972062 1059217755 /nfs/dbraw/zinc/21/77/55/1059217755.db2.gz JDMAEFVMQXQWSM-QGZVFWFLSA-N 1 3 304.522 4.344 20 0 DIADHO C([C@@H]1CCCNC1)[N@@H+](C1CC1)C1CCC2(CCCCC2)CC1 ZINC001246972062 1059217765 /nfs/dbraw/zinc/21/77/65/1059217765.db2.gz JDMAEFVMQXQWSM-QGZVFWFLSA-N 1 3 304.522 4.344 20 0 DIADHO C1=C(CCN2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCC1 ZINC001559524669 1059319159 /nfs/dbraw/zinc/31/91/59/1059319159.db2.gz MBSHSUUUOGNZBT-HXUWFJFHSA-N 1 3 304.522 4.465 20 0 DIADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(-c2ccccc2)cc1 ZINC001559694509 1059523275 /nfs/dbraw/zinc/52/32/75/1059523275.db2.gz XDYDTKMUBGLWKG-UWJYYQICSA-N 1 3 308.469 4.489 20 0 DIADHO CN1CCC[C@@H]1CC[N@@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001559875354 1059696213 /nfs/dbraw/zinc/69/62/13/1059696213.db2.gz STBOZQMHKRMADE-JOCHJYFZSA-N 1 3 320.480 4.196 20 0 DIADHO CN1CCC[C@@H]1CC[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001559875354 1059696222 /nfs/dbraw/zinc/69/62/22/1059696222.db2.gz STBOZQMHKRMADE-JOCHJYFZSA-N 1 3 320.480 4.196 20 0 DIADHO C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC001560077683 1059891730 /nfs/dbraw/zinc/89/17/30/1059891730.db2.gz UJIJPZDKVNCVAP-HHXXYDBFSA-N 1 3 300.490 4.071 20 0 DIADHO C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC001560077683 1059891750 /nfs/dbraw/zinc/89/17/50/1059891750.db2.gz UJIJPZDKVNCVAP-HHXXYDBFSA-N 1 3 300.490 4.071 20 0 DIADHO Cc1cc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cs1 ZINC001248803865 1059985610 /nfs/dbraw/zinc/98/56/10/1059985610.db2.gz XKCNQLNHUFLRFP-GOSISDBHSA-N 1 3 314.498 4.010 20 0 DIADHO Cc1cc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cs1 ZINC001248803865 1059985626 /nfs/dbraw/zinc/98/56/26/1059985626.db2.gz XKCNQLNHUFLRFP-GOSISDBHSA-N 1 3 314.498 4.010 20 0 DIADHO C[NH+]1CCC2(CN(Cc3ccc(C4CCCCC4)cc3)C2)CC1 ZINC001248887200 1060041018 /nfs/dbraw/zinc/04/10/18/1060041018.db2.gz CGYUFSRNPQAPEU-UHFFFAOYSA-N 1 3 312.501 4.262 20 0 DIADHO C[NH+](C)CC[C@H](N[C@H]1CCCC(C)(C)CC1)c1cccnc1 ZINC001560597630 1060411105 /nfs/dbraw/zinc/41/11/05/1060411105.db2.gz VNPITJUMYKKWPH-ROUUACIJSA-N 1 3 303.494 4.023 20 0 DIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(F)c3ccccc23)C[C@H]1C ZINC001560636978 1060453373 /nfs/dbraw/zinc/45/33/73/1060453373.db2.gz REZVSIVURMFBNB-NVXWUHKLSA-N 1 3 314.448 4.284 20 0 DIADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)c3ccccc23)C[C@H]1C ZINC001560636978 1060453377 /nfs/dbraw/zinc/45/33/77/1060453377.db2.gz REZVSIVURMFBNB-NVXWUHKLSA-N 1 3 314.448 4.284 20 0 DIADHO CC(C)(C)[C@]1(C[NH2+]C2CC=CC2)CCN(Cc2ccccc2)C1 ZINC001560918580 1060779342 /nfs/dbraw/zinc/77/93/42/1060779342.db2.gz ZATZRIIPYFEMCY-NRFANRHFSA-N 1 3 312.501 4.233 20 0 DIADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC001560919668 1060781307 /nfs/dbraw/zinc/78/13/07/1060781307.db2.gz KJQKPUSIJHHPMT-JFRXWTBNSA-N 1 3 306.538 4.444 20 0 DIADHO CC(C)(C)[C@]1(C[NH2+][C@H]2C=CCC2)CCN(Cc2ccccc2)C1 ZINC001560922329 1060786464 /nfs/dbraw/zinc/78/64/64/1060786464.db2.gz RIJSJARKXUMRIO-FPOVZHCZSA-N 1 3 312.501 4.233 20 0 DIADHO CC(C)(C)[C@]1(CN[C@H]2C=CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001560922329 1060786474 /nfs/dbraw/zinc/78/64/74/1060786474.db2.gz RIJSJARKXUMRIO-FPOVZHCZSA-N 1 3 312.501 4.233 20 0 DIADHO CC(C)(C)[C@]1(CN[C@H]2C=CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001560922329 1060786487 /nfs/dbraw/zinc/78/64/87/1060786487.db2.gz RIJSJARKXUMRIO-FPOVZHCZSA-N 1 3 312.501 4.233 20 0 DIADHO CCC(C)(C)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC001473220528 1060995905 /nfs/dbraw/zinc/99/59/05/1060995905.db2.gz WTAYHURTRGRBMN-UYAOXDASSA-N 1 3 314.517 4.290 20 0 DIADHO CCC(C)(C)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC001473220528 1060995926 /nfs/dbraw/zinc/99/59/26/1060995926.db2.gz WTAYHURTRGRBMN-UYAOXDASSA-N 1 3 314.517 4.290 20 0 DIADHO CC[N@H+](CCCN[C@@H]1C[C@@H](OC(C)C)C1(C)C)C1CCCCC1 ZINC001462408119 1061154417 /nfs/dbraw/zinc/15/44/17/1061154417.db2.gz MHAXTOCVKUHMMM-RTBURBONSA-N 1 3 324.553 4.213 20 0 DIADHO CC[N@@H+](CCCN[C@@H]1C[C@@H](OC(C)C)C1(C)C)C1CCCCC1 ZINC001462408119 1061154425 /nfs/dbraw/zinc/15/44/25/1061154425.db2.gz MHAXTOCVKUHMMM-RTBURBONSA-N 1 3 324.553 4.213 20 0 DIADHO CCc1ccc([C@@H]2CCCN(CCC[NH+]3CCCCC3)C2)cc1 ZINC001473449076 1061165782 /nfs/dbraw/zinc/16/57/82/1061165782.db2.gz DEUMNDCSRLRRPR-OAQYLSRUSA-N 1 3 314.517 4.304 20 0 DIADHO C[C@@H](Cc1ccc(Cl)cc1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001462441618 1061175920 /nfs/dbraw/zinc/17/59/20/1061175920.db2.gz NEAKJAXYARRGFF-YJBOKZPZSA-N 1 3 320.908 4.268 20 0 DIADHO C[C@@H](Cc1ccc(Cl)cc1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001462441618 1061175927 /nfs/dbraw/zinc/17/59/27/1061175927.db2.gz NEAKJAXYARRGFF-YJBOKZPZSA-N 1 3 320.908 4.268 20 0 DIADHO C[C@H](Cc1ccc(Cl)cc1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001462441615 1061176167 /nfs/dbraw/zinc/17/61/67/1061176167.db2.gz NEAKJAXYARRGFF-QAPCUYQASA-N 1 3 320.908 4.268 20 0 DIADHO C[C@H](Cc1ccc(Cl)cc1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001462441615 1061176171 /nfs/dbraw/zinc/17/61/71/1061176171.db2.gz NEAKJAXYARRGFF-QAPCUYQASA-N 1 3 320.908 4.268 20 0 DIADHO CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]CC[C@@H](C)N(C)C ZINC001462466344 1061190843 /nfs/dbraw/zinc/19/08/43/1061190843.db2.gz JAVKOWCDSATXEB-CRAIPNDOSA-N 1 3 310.913 4.227 20 0 DIADHO C[C@@]1(c2ccccc2)CC[C@@H](N2CCC([NH2+]C3CCC3)CC2)C1 ZINC001462644298 1061315809 /nfs/dbraw/zinc/31/58/09/1061315809.db2.gz IXMHNHGHQZJAEW-NHCUHLMSSA-N 1 3 312.501 4.103 20 0 DIADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](C)CCc1c[nH]c2ccccc12 ZINC001462673187 1061331409 /nfs/dbraw/zinc/33/14/09/1061331409.db2.gz KVFHQAIUUXRIJV-DLBZAZTESA-N 1 3 315.505 4.199 20 0 DIADHO CCC1([NH+]2CCCC2)CCN(CC2CCC3(CC3)CC2)CC1 ZINC001473698677 1061353086 /nfs/dbraw/zinc/35/30/86/1061353086.db2.gz VRDPKMJMKQSKFD-UHFFFAOYSA-N 1 3 304.522 4.297 20 0 DIADHO Cc1ccc(CNCC(C)(C)C[N@H+](C)Cc2ccccc2)cc1 ZINC001473910487 1061459153 /nfs/dbraw/zinc/45/91/53/1061459153.db2.gz RUHIMBCIPJPOQC-UHFFFAOYSA-N 1 3 310.485 4.243 20 0 DIADHO Cc1ccc(CNCC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC001473910487 1061459161 /nfs/dbraw/zinc/45/91/61/1061459161.db2.gz RUHIMBCIPJPOQC-UHFFFAOYSA-N 1 3 310.485 4.243 20 0 DIADHO Cc1cccc(CNCC(C)(C)C[N@H+](C)Cc2ccccc2)c1 ZINC001473920942 1061470775 /nfs/dbraw/zinc/47/07/75/1061470775.db2.gz XSLWCBFVEBQCOR-UHFFFAOYSA-N 1 3 310.485 4.243 20 0 DIADHO Cc1cccc(CNCC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC001473920942 1061470792 /nfs/dbraw/zinc/47/07/92/1061470792.db2.gz XSLWCBFVEBQCOR-UHFFFAOYSA-N 1 3 310.485 4.243 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)C1 ZINC001473957223 1061500033 /nfs/dbraw/zinc/50/00/33/1061500033.db2.gz MZHMHMOZAJPPTJ-HMXCVIKNSA-N 1 3 314.517 4.424 20 0 DIADHO C[C@@H]1CCCC[C@@H]1C[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001473968584 1061511650 /nfs/dbraw/zinc/51/16/50/1061511650.db2.gz AIBAPKUECRWIMS-IEBWSBKVSA-N 1 3 306.538 4.447 20 0 DIADHO C[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001473968586 1061511932 /nfs/dbraw/zinc/51/19/32/1061511932.db2.gz AIBAPKUECRWIMS-PKOBYXMFSA-N 1 3 306.538 4.447 20 0 DIADHO CCCCOc1ccc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC001473998731 1061539464 /nfs/dbraw/zinc/53/94/64/1061539464.db2.gz DEARLWFBNUNKII-IBGZPJMESA-N 1 3 320.521 4.322 20 0 DIADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCC[C@@H]1C1CC1 ZINC001474179885 1061727980 /nfs/dbraw/zinc/72/79/80/1061727980.db2.gz FRWIBQVILYYJLT-FXAWDEMLSA-N 1 3 304.522 4.199 20 0 DIADHO Cc1ccccc1-c1ccccc1CNC[C@H]1CCCC[N@@H+](C)C1 ZINC001474209897 1061765618 /nfs/dbraw/zinc/76/56/18/1061765618.db2.gz KIXHKAMWQJRZLQ-LJQANCHMSA-N 1 3 322.496 4.484 20 0 DIADHO Cc1ccccc1-c1ccccc1CNC[C@H]1CCCC[N@H+](C)C1 ZINC001474209897 1061765628 /nfs/dbraw/zinc/76/56/28/1061765628.db2.gz KIXHKAMWQJRZLQ-LJQANCHMSA-N 1 3 322.496 4.484 20 0 DIADHO Cc1ccccc1-c1ccccc1C[NH2+]C[C@H]1CCCCN(C)C1 ZINC001474209897 1061765642 /nfs/dbraw/zinc/76/56/42/1061765642.db2.gz KIXHKAMWQJRZLQ-LJQANCHMSA-N 1 3 322.496 4.484 20 0 DIADHO C(C1CCCCC1)N1CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC001254437086 1062102326 /nfs/dbraw/zinc/10/23/26/1062102326.db2.gz HBCQCWFMGPASIQ-UHFFFAOYSA-N 1 3 304.522 4.344 20 0 DIADHO CCC[C@@H](CCc1ccccc1)N1CCC([NH3+])(CC2CC2)CC1 ZINC001254486918 1062131114 /nfs/dbraw/zinc/13/11/14/1062131114.db2.gz DRUZVXYKPJFBCI-FQEVSTJZSA-N 1 3 314.517 4.381 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[NH+]1CCC(N(C)CC)CC1 ZINC001254497974 1062141787 /nfs/dbraw/zinc/14/17/87/1062141787.db2.gz GHEWLJSSZSZWHK-FQEVSTJZSA-N 1 3 302.506 4.204 20 0 DIADHO CCC[C@@H](CCc1ccccc1)N1CCC([N@H+](C)CC)CC1 ZINC001254497974 1062141795 /nfs/dbraw/zinc/14/17/95/1062141795.db2.gz GHEWLJSSZSZWHK-FQEVSTJZSA-N 1 3 302.506 4.204 20 0 DIADHO CCC[C@@H](CCc1ccccc1)N1CCC([N@@H+](C)CC)CC1 ZINC001254497974 1062141809 /nfs/dbraw/zinc/14/18/09/1062141809.db2.gz GHEWLJSSZSZWHK-FQEVSTJZSA-N 1 3 302.506 4.204 20 0 DIADHO C(CN1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001459438183 1062144588 /nfs/dbraw/zinc/14/45/88/1062144588.db2.gz MRCQBFCHTOJQNO-RLLQIKCJSA-N 1 3 304.522 4.011 20 0 DIADHO C(CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001459438187 1062145412 /nfs/dbraw/zinc/14/54/12/1062145412.db2.gz MRCQBFCHTOJQNO-SXLOBPIMSA-N 1 3 304.522 4.011 20 0 DIADHO CC[C@H](N[C@@H]1CCC[N@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC001254510115 1062148165 /nfs/dbraw/zinc/14/81/65/1062148165.db2.gz RXPGPUMDVMCHOW-CVEARBPZSA-N 1 3 314.395 4.230 20 0 DIADHO CC[C@H](N[C@@H]1CCC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC001254510115 1062148180 /nfs/dbraw/zinc/14/81/80/1062148180.db2.gz RXPGPUMDVMCHOW-CVEARBPZSA-N 1 3 314.395 4.230 20 0 DIADHO CN1CCCC[C@H]1CC[N@H+](C)[C@@H]1CCc2c1cccc2Cl ZINC001459571127 1062217302 /nfs/dbraw/zinc/21/73/02/1062217302.db2.gz FAELUBCFPQIXBO-KBXCAEBGSA-N 1 3 306.881 4.134 20 0 DIADHO CN1CCCC[C@H]1CC[N@@H+](C)[C@@H]1CCc2c1cccc2Cl ZINC001459571127 1062217322 /nfs/dbraw/zinc/21/73/22/1062217322.db2.gz FAELUBCFPQIXBO-KBXCAEBGSA-N 1 3 306.881 4.134 20 0 DIADHO CC[NH+](CC)C[C@H]1CCN(Cc2c(C)ccc3ccccc32)C1 ZINC001459576692 1062219318 /nfs/dbraw/zinc/21/93/18/1062219318.db2.gz QNBAAIQYUAPBTI-GOSISDBHSA-N 1 3 310.485 4.312 20 0 DIADHO C[C@@]1(F)CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255137437 1062327702 /nfs/dbraw/zinc/32/77/02/1062327702.db2.gz RVBHBZSFBCSNFC-IYWMVGAKSA-N 1 3 316.464 4.006 20 0 DIADHO C[C@@]1(F)CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255137437 1062327726 /nfs/dbraw/zinc/32/77/26/1062327726.db2.gz RVBHBZSFBCSNFC-IYWMVGAKSA-N 1 3 316.464 4.006 20 0 DIADHO CCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC001474644812 1062369707 /nfs/dbraw/zinc/36/97/07/1062369707.db2.gz CAHVDHJYFCKHGK-NHCUHLMSSA-N 1 3 314.517 4.109 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC001474644813 1062372910 /nfs/dbraw/zinc/37/29/10/1062372910.db2.gz CAHVDHJYFCKHGK-RTWAWAEBSA-N 1 3 314.517 4.109 20 0 DIADHO Cc1oc(C(C)(C)C)cc1C[N@H+]1CCCC[C@@H]1[C@@H](C)CN(C)C ZINC001474647166 1062374108 /nfs/dbraw/zinc/37/41/08/1062374108.db2.gz IEQBISBEOCZNGB-MAUKXSAKSA-N 1 3 320.521 4.438 20 0 DIADHO Cc1oc(C(C)(C)C)cc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)CN(C)C ZINC001474647166 1062374127 /nfs/dbraw/zinc/37/41/27/1062374127.db2.gz IEQBISBEOCZNGB-MAUKXSAKSA-N 1 3 320.521 4.438 20 0 DIADHO CCc1ccc(CN[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255383321 1062421068 /nfs/dbraw/zinc/42/10/68/1062421068.db2.gz HIXYAQCIAIXSHL-JOCHJYFZSA-N 1 3 322.496 4.393 20 0 DIADHO CCc1ccc(CN[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255383321 1062421080 /nfs/dbraw/zinc/42/10/80/1062421080.db2.gz HIXYAQCIAIXSHL-JOCHJYFZSA-N 1 3 322.496 4.393 20 0 DIADHO Cc1ccc(CN[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1C ZINC001255380082 1062424314 /nfs/dbraw/zinc/42/43/14/1062424314.db2.gz HJBBFXLXEJGBJG-JOCHJYFZSA-N 1 3 322.496 4.448 20 0 DIADHO Cc1ccc(CN[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1C ZINC001255380082 1062424333 /nfs/dbraw/zinc/42/43/33/1062424333.db2.gz HJBBFXLXEJGBJG-JOCHJYFZSA-N 1 3 322.496 4.448 20 0 DIADHO CC[C@H](N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC001255392494 1062430073 /nfs/dbraw/zinc/43/00/73/1062430073.db2.gz FMRABEGNBSRIAD-RTWAWAEBSA-N 1 3 323.484 4.177 20 0 DIADHO CC[C@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC001255392494 1062430084 /nfs/dbraw/zinc/43/00/84/1062430084.db2.gz FMRABEGNBSRIAD-RTWAWAEBSA-N 1 3 323.484 4.177 20 0 DIADHO CCC1(N2CCC2)CC[NH+](C[C@@H](C)c2ccc(C)cc2)CC1 ZINC001474711811 1062436370 /nfs/dbraw/zinc/43/63/70/1062436370.db2.gz BDUCEOJEEFNHJM-GOSISDBHSA-N 1 3 300.490 4.049 20 0 DIADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC001255507374 1062467388 /nfs/dbraw/zinc/46/73/88/1062467388.db2.gz XGKCTNWAGAKZGU-PJPHBNEVSA-N 1 3 320.443 4.065 20 0 DIADHO C[NH2+][C@@]12CC[C@@](NCc3ccc4ccsc4c3)(C1)CCC2 ZINC001278871904 1062482500 /nfs/dbraw/zinc/48/25/00/1062482500.db2.gz HMAVCYVCSSWFFJ-ZWKOTPCHSA-N 1 3 300.471 4.056 20 0 DIADHO CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(F)cc1F ZINC001255668661 1062506728 /nfs/dbraw/zinc/50/67/28/1062506728.db2.gz GVTMAILDJVKQMR-KRWWSPQJSA-N 1 3 308.416 4.021 20 0 DIADHO CCN(CC)CCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC001459981323 1062545792 /nfs/dbraw/zinc/54/57/92/1062545792.db2.gz YDVZEDKAMIIOQB-NJYVYQBISA-N 1 3 314.517 4.377 20 0 DIADHO CCN(CC)CCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC001459981323 1062545810 /nfs/dbraw/zinc/54/58/10/1062545810.db2.gz YDVZEDKAMIIOQB-NJYVYQBISA-N 1 3 314.517 4.377 20 0 DIADHO CCCCN(C)CCC[NH2+][C@@H](C)CSc1ccc(F)cc1 ZINC001255731370 1062554245 /nfs/dbraw/zinc/55/42/45/1062554245.db2.gz KSOMMZVLDKUBAE-HNNXBMFYSA-N 1 3 312.498 4.018 20 0 DIADHO CCN(CC)CC[C@@H](C)[NH2+]CC1(Cc2ccccc2C)CC1 ZINC001255952288 1062669385 /nfs/dbraw/zinc/66/93/85/1062669385.db2.gz FCAWGENCORFNPT-GOSISDBHSA-N 1 3 302.506 4.028 20 0 DIADHO Fc1ccc(-c2cccc(CNC3CC[NH+](C4CC4)CC3)c2)cc1 ZINC001256072499 1062694313 /nfs/dbraw/zinc/69/43/13/1062694313.db2.gz PNRCPVFNJHVUFN-UHFFFAOYSA-N 1 3 324.443 4.209 20 0 DIADHO CC(C)CC[C@@H](C)N1CCC([NH3+])(c2cccc(Cl)c2)CC1 ZINC001256358701 1062785521 /nfs/dbraw/zinc/78/55/21/1062785521.db2.gz IUDODQGBSJWITG-OAHLLOKOSA-N 1 3 308.897 4.415 20 0 DIADHO CC(C)CC[C@H](C)[NH+]1CCC(N)(c2ccccc2Cl)CC1 ZINC001256360681 1062788639 /nfs/dbraw/zinc/78/86/39/1062788639.db2.gz KVRVRHGNKOCTHZ-HNNXBMFYSA-N 1 3 308.897 4.415 20 0 DIADHO C[C@H]1C[C@@H](NC/C=C/c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001256524003 1062847494 /nfs/dbraw/zinc/84/74/94/1062847494.db2.gz UJABLMIHCPDBHJ-NJEHNGEPSA-N 1 3 320.480 4.343 20 0 DIADHO C[C@H]1C[C@@H](NC/C=C/c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001256524003 1062847523 /nfs/dbraw/zinc/84/75/23/1062847523.db2.gz UJABLMIHCPDBHJ-NJEHNGEPSA-N 1 3 320.480 4.343 20 0 DIADHO Cc1ccccc1CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256548949 1062871301 /nfs/dbraw/zinc/87/13/01/1062871301.db2.gz CSUAKBICHMBMCY-UGKGYDQZSA-N 1 3 322.496 4.480 20 0 DIADHO Cc1ccccc1CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256548949 1062871329 /nfs/dbraw/zinc/87/13/29/1062871329.db2.gz CSUAKBICHMBMCY-UGKGYDQZSA-N 1 3 322.496 4.480 20 0 DIADHO C[C@@H]1C[C@H](N2CC3(C2)CCCCC3)CC[N@@H+]1Cc1ccccc1 ZINC001256553996 1062877578 /nfs/dbraw/zinc/87/75/78/1062877578.db2.gz MYZHTRJUKJNYGK-UYAOXDASSA-N 1 3 312.501 4.306 20 0 DIADHO C[C@@H]1C[C@H](N2CC3(C2)CCCCC3)CC[N@H+]1Cc1ccccc1 ZINC001256553996 1062877601 /nfs/dbraw/zinc/87/76/01/1062877601.db2.gz MYZHTRJUKJNYGK-UYAOXDASSA-N 1 3 312.501 4.306 20 0 DIADHO CC(C)(C)[NH+]1CCC(N2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001256572396 1062894237 /nfs/dbraw/zinc/89/42/37/1062894237.db2.gz QVQAUTYVXKCTMG-GOSISDBHSA-N 1 3 300.490 4.129 20 0 DIADHO CCCC[N@H+](CCc1cccnc1)C1CC(C)(C)NC(C)(C)C1 ZINC001460537489 1062904131 /nfs/dbraw/zinc/90/41/31/1062904131.db2.gz AZVOUIIEQBCECA-UHFFFAOYSA-N 1 3 317.521 4.035 20 0 DIADHO CCCC[N@@H+](CCc1cccnc1)C1CC(C)(C)NC(C)(C)C1 ZINC001460537489 1062904160 /nfs/dbraw/zinc/90/41/60/1062904160.db2.gz AZVOUIIEQBCECA-UHFFFAOYSA-N 1 3 317.521 4.035 20 0 DIADHO Cc1ccc(C2(NC3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC001256599014 1062909998 /nfs/dbraw/zinc/90/99/98/1062909998.db2.gz FFFKKTWPHBIGLN-UHFFFAOYSA-N 1 3 320.480 4.238 20 0 DIADHO c1ccc(C[NH+]2CCC(N3CC[C@H]4CCCC[C@@H]4C3)CC2)cc1 ZINC001256613738 1062917067 /nfs/dbraw/zinc/91/70/67/1062917067.db2.gz SSQUASZNDQHUEF-WOJBJXKFSA-N 1 3 312.501 4.163 20 0 DIADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001460624366 1062942992 /nfs/dbraw/zinc/94/29/92/1062942992.db2.gz BLFDFFUWYQMJDA-SJORKVTESA-N 1 3 314.464 4.008 20 0 DIADHO CC1CCN(CC[C@@H]2CCC[N@H+]2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001460624366 1062943023 /nfs/dbraw/zinc/94/30/23/1062943023.db2.gz BLFDFFUWYQMJDA-SJORKVTESA-N 1 3 314.464 4.008 20 0 DIADHO c1csc(-c2ccc(C[NH2+]CCCN3CCCCC3)cc2)c1 ZINC001461003739 1063180555 /nfs/dbraw/zinc/18/05/55/1063180555.db2.gz AYBUGKBFQLABAX-UHFFFAOYSA-N 1 3 314.498 4.381 20 0 DIADHO CCCc1cccc(CNCCC[N@H+](C)Cc2ccccc2)c1 ZINC001461004077 1063180652 /nfs/dbraw/zinc/18/06/52/1063180652.db2.gz FXLYBXRTINGBMX-UHFFFAOYSA-N 1 3 310.485 4.251 20 0 DIADHO CCCc1cccc(CNCCC[N@@H+](C)Cc2ccccc2)c1 ZINC001461004077 1063180665 /nfs/dbraw/zinc/18/06/65/1063180665.db2.gz FXLYBXRTINGBMX-UHFFFAOYSA-N 1 3 310.485 4.251 20 0 DIADHO c1cc(C[NH+]2CCCC2)ccc1CNCc1ccc(C2CC2)cc1 ZINC001461015627 1063189748 /nfs/dbraw/zinc/18/97/48/1063189748.db2.gz CCNURCOLCJCRKF-UHFFFAOYSA-N 1 3 320.480 4.450 20 0 DIADHO CCCC(CCC)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001257330640 1063212838 /nfs/dbraw/zinc/21/28/38/1063212838.db2.gz UBALFZIHTRHWBT-OAHLLOKOSA-N 1 3 313.283 4.007 20 0 DIADHO CCCCCC[C@H](C)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001257357197 1063228481 /nfs/dbraw/zinc/22/84/81/1063228481.db2.gz JJOXRHNTKDMKPK-SFHVURJKSA-N 1 3 317.521 4.242 20 0 DIADHO CCCCCC[C@H](C)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001257357258 1063228829 /nfs/dbraw/zinc/22/88/29/1063228829.db2.gz KYPOZWUYIYFQBX-INIZCTEOSA-N 1 3 306.469 4.434 20 0 DIADHO CCCCCC[C@H](C)N1CCC([NH3+])(c2cccc(OC)c2)CC1 ZINC001257359108 1063228994 /nfs/dbraw/zinc/22/89/94/1063228994.db2.gz LLBPQBQBHOFTDH-KRWDZBQOSA-N 1 3 318.505 4.304 20 0 DIADHO CCC[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccccc1 ZINC001461068321 1063230950 /nfs/dbraw/zinc/23/09/50/1063230950.db2.gz YHXIBTYXXSHEPH-SFHVURJKSA-N 1 3 302.506 4.423 20 0 DIADHO CCC[C@H](C)CC[C@H](C)[NH+]1CCC(N(CC)[C@@H]2CCOC2)CC1 ZINC001257480292 1063299471 /nfs/dbraw/zinc/29/94/71/1063299471.db2.gz CZGZCGKCVCQPAV-CMKODMSKSA-N 1 3 324.553 4.167 20 0 DIADHO CCC[C@@H](C)CC[C@H](C)N1CCC([NH+]2CCC(F)CC2)CC1 ZINC001257482829 1063303689 /nfs/dbraw/zinc/30/36/89/1063303689.db2.gz TUTDIAHSWDSQME-SJORKVTESA-N 1 3 312.517 4.490 20 0 DIADHO CCC[C@@H](C)CC[C@@H](C)N1CCC([NH+]2CCC(F)CC2)CC1 ZINC001257482827 1063304147 /nfs/dbraw/zinc/30/41/47/1063304147.db2.gz TUTDIAHSWDSQME-IAGOWNOFSA-N 1 3 312.517 4.490 20 0 DIADHO CCC[C@H](C)CC[C@@H](C)N1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001257485980 1063308408 /nfs/dbraw/zinc/30/84/08/1063308408.db2.gz RQBOIUMABPYXQR-ZWKOTPCHSA-N 1 3 324.553 4.167 20 0 DIADHO C[NH+](C)[C@@H]1CCC[C@@H](NCc2ccccc2-c2ccccc2)C1 ZINC001461258289 1063372769 /nfs/dbraw/zinc/37/27/69/1063372769.db2.gz UARVGNDUSJYZMQ-WOJBJXKFSA-N 1 3 308.469 4.316 20 0 DIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC001461258289 1063372790 /nfs/dbraw/zinc/37/27/90/1063372790.db2.gz UARVGNDUSJYZMQ-WOJBJXKFSA-N 1 3 308.469 4.316 20 0 DIADHO Cc1ccc(F)cc1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC001473104589 1063403460 /nfs/dbraw/zinc/40/34/60/1063403460.db2.gz SZFKQXUBUJVKOR-UHFFFAOYSA-N 1 3 318.480 4.222 20 0 DIADHO CC(C)CN1CCC([NH2+]CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC001258003359 1063458907 /nfs/dbraw/zinc/45/89/07/1063458907.db2.gz HGNPXXHBQFKKTN-UHFFFAOYSA-N 1 3 320.908 4.082 20 0 DIADHO CC(C)C[NH+]1CCC(N2CCCC[C@H]2c2ccccc2)CC1 ZINC001258012584 1063462460 /nfs/dbraw/zinc/46/24/60/1063462460.db2.gz ZTGZRBMZQYKXQQ-FQEVSTJZSA-N 1 3 300.490 4.334 20 0 DIADHO CC(C)CN1CCC([NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC001258008904 1063462544 /nfs/dbraw/zinc/46/25/44/1063462544.db2.gz KSYONTMYEUMXHQ-HXUWFJFHSA-N 1 3 300.490 4.164 20 0 DIADHO CC(C)C[NH+]1CCC(N[C@@H]2CCCCc3ccccc32)CC1 ZINC001258008904 1063462548 /nfs/dbraw/zinc/46/25/48/1063462548.db2.gz KSYONTMYEUMXHQ-HXUWFJFHSA-N 1 3 300.490 4.164 20 0 DIADHO CCC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccc(F)cc1 ZINC001258006028 1063462790 /nfs/dbraw/zinc/46/27/90/1063462790.db2.gz DABXAQRXFOHSBR-LJQANCHMSA-N 1 3 306.469 4.377 20 0 DIADHO CC(C)CN1CCC([N@@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001258014389 1063463239 /nfs/dbraw/zinc/46/32/39/1063463239.db2.gz ILKSBTJPSWHPLV-IBGZPJMESA-N 1 3 304.453 4.083 20 0 DIADHO CC(C)CN1CCC([N@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001258014389 1063463244 /nfs/dbraw/zinc/46/32/44/1063463244.db2.gz ILKSBTJPSWHPLV-IBGZPJMESA-N 1 3 304.453 4.083 20 0 DIADHO CC(C)CN1CCC([NH2+][C@@H](CC2CC2)c2ccc(F)cc2)CC1 ZINC001258007570 1063464078 /nfs/dbraw/zinc/46/40/78/1063464078.db2.gz HNYQWSXTTNHZDA-FQEVSTJZSA-N 1 3 318.480 4.377 20 0 DIADHO COc1ccc(C2([NH3+])CCN([C@@H](C)CCC=C(C)C)CC2)cc1 ZINC001258086850 1063510739 /nfs/dbraw/zinc/51/07/39/1063510739.db2.gz DQAUOBZHAQTLJR-KRWDZBQOSA-N 1 3 316.489 4.080 20 0 DIADHO CC(C)c1ccccc1CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001461463735 1063523346 /nfs/dbraw/zinc/52/33/46/1063523346.db2.gz YGVMCKUGNSSXPT-HXUWFJFHSA-N 1 3 322.496 4.422 20 0 DIADHO CC(C)c1ccccc1CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001461463735 1063523363 /nfs/dbraw/zinc/52/33/63/1063523363.db2.gz YGVMCKUGNSSXPT-HXUWFJFHSA-N 1 3 322.496 4.422 20 0 DIADHO C[C@@H]1CC(N2CCC([NH3+])(c3ccccc3Cl)CC2)C[C@@H](C)C1 ZINC001258160120 1063534860 /nfs/dbraw/zinc/53/48/60/1063534860.db2.gz JSCJGLXWXGEXJA-GJZGRUSLSA-N 1 3 320.908 4.415 20 0 DIADHO C[C@H]1C[C@H](N2CCC([NH3+])(c3ccccc3Cl)CC2)C[C@@H](C)C1 ZINC001258160123 1063534959 /nfs/dbraw/zinc/53/49/59/1063534959.db2.gz JSCJGLXWXGEXJA-ZSHCYNCHSA-N 1 3 320.908 4.415 20 0 DIADHO C[C@H]1CC(N2CCC([NH3+])(c3ccccc3Cl)CC2)C[C@H](C)C1 ZINC001258160122 1063536008 /nfs/dbraw/zinc/53/60/08/1063536008.db2.gz JSCJGLXWXGEXJA-HUUCEWRRSA-N 1 3 320.908 4.415 20 0 DIADHO CSC(C)(C)C[C@@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001258334929 1063618455 /nfs/dbraw/zinc/61/84/55/1063618455.db2.gz VWRXREMTKBVYRY-OAHLLOKOSA-N 1 3 312.567 4.151 20 0 DIADHO Cc1cc(C)c(CNC[C@H]2CC[N@@H+]2C2CCCCC2)c(C)c1 ZINC001461645170 1063632899 /nfs/dbraw/zinc/63/28/99/1063632899.db2.gz JZFUDRLLBIAALQ-LJQANCHMSA-N 1 3 300.490 4.108 20 0 DIADHO Cc1cc(C)c(CNC[C@H]2CC[N@H+]2C2CCCCC2)c(C)c1 ZINC001461645170 1063632905 /nfs/dbraw/zinc/63/29/05/1063632905.db2.gz JZFUDRLLBIAALQ-LJQANCHMSA-N 1 3 300.490 4.108 20 0 DIADHO CCCCC[C@@H](CC)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001258433835 1063651866 /nfs/dbraw/zinc/65/18/66/1063651866.db2.gz ILRRQXAPXKKQRX-LJQANCHMSA-N 1 3 317.521 4.242 20 0 DIADHO CC1(C)CC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001258599125 1063702742 /nfs/dbraw/zinc/70/27/42/1063702742.db2.gz TWULZQVMIVJAFW-SFHVURJKSA-N 1 3 318.480 4.206 20 0 DIADHO CCN(CC)CC[C@H]([NH2+][C@H]1CCC[C@H](OC)C1)c1ccccc1 ZINC001461823789 1063737292 /nfs/dbraw/zinc/73/72/92/1063737292.db2.gz FYQNXWDTYFVOOE-UFYCRDLUSA-N 1 3 318.505 4.007 20 0 DIADHO CCN(CC)CC[C@H]([NH2+][C@@H]1CCC[C@H](OC)C1)c1ccccc1 ZINC001461823786 1063737922 /nfs/dbraw/zinc/73/79/22/1063737922.db2.gz FYQNXWDTYFVOOE-AABGKKOBSA-N 1 3 318.505 4.007 20 0 DIADHO CCCC[C@H](Cc1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC001258709727 1063766041 /nfs/dbraw/zinc/76/60/41/1063766041.db2.gz JSZPEDXRQRDERU-OAQYLSRUSA-N 1 3 314.517 4.348 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[NH+]1CCC(N2CCCC2)CC1 ZINC001258709727 1063766049 /nfs/dbraw/zinc/76/60/49/1063766049.db2.gz JSZPEDXRQRDERU-OAQYLSRUSA-N 1 3 314.517 4.348 20 0 DIADHO CCCC[C@@H](CCC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001258756263 1063802449 /nfs/dbraw/zinc/80/24/49/1063802449.db2.gz MEYFOMZAPYLABE-HXUWFJFHSA-N 1 3 317.521 4.242 20 0 DIADHO CC[C@@H](C)C[C@H](CC)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001258784161 1063821398 /nfs/dbraw/zinc/82/13/98/1063821398.db2.gz NOGULIOHPYKNPS-XLIONFOSSA-N 1 3 317.521 4.098 20 0 DIADHO CC[C@@H](C)C[C@H](CC)[NH+]1CCC(N)(Cc2ccc(F)cc2)CC1 ZINC001258786050 1063823569 /nfs/dbraw/zinc/82/35/69/1063823569.db2.gz JZZWMIWVGUSECO-APWZRJJASA-N 1 3 320.496 4.376 20 0 DIADHO CCC(CC)N1CCC([NH2+][C@@H](CC)Cc2ccccc2)CC1 ZINC001258842199 1063863187 /nfs/dbraw/zinc/86/31/87/1063863187.db2.gz CTQBKHUUZHNVKM-SFHVURJKSA-N 1 3 302.506 4.250 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000378899618 1063979455 /nfs/dbraw/zinc/97/94/55/1063979455.db2.gz OHCPNKQAPSGJBD-GOSISDBHSA-N 1 3 304.453 4.129 20 0 DIADHO C[C@@H](CC[NH2+]Cc1ccc(Cl)s1)N(C)Cc1ccccc1 ZINC000379618929 1063984401 /nfs/dbraw/zinc/98/44/01/1063984401.db2.gz AYBPSMXWLSKAJM-AWEZNQCLSA-N 1 3 322.905 4.402 20 0 DIADHO CCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379638980 1063984613 /nfs/dbraw/zinc/98/46/13/1063984613.db2.gz VFCXYQNJNHMBOK-GCJKJVERSA-N 1 3 322.496 4.392 20 0 DIADHO CCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379638980 1063984619 /nfs/dbraw/zinc/98/46/19/1063984619.db2.gz VFCXYQNJNHMBOK-GCJKJVERSA-N 1 3 322.496 4.392 20 0 DIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(O)cc1 ZINC000379632714 1063985549 /nfs/dbraw/zinc/98/55/49/1063985549.db2.gz NXWSTYVOOKDHRQ-ZWOKBUDYSA-N 1 3 324.468 4.096 20 0 DIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(O)cc1 ZINC000379632714 1063985556 /nfs/dbraw/zinc/98/55/56/1063985556.db2.gz NXWSTYVOOKDHRQ-ZWOKBUDYSA-N 1 3 324.468 4.096 20 0 DIADHO Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1C ZINC000379654965 1063986989 /nfs/dbraw/zinc/98/69/89/1063986989.db2.gz KKZFJMZLDJOABJ-SIKLNZKXSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1C ZINC000379654965 1063987002 /nfs/dbraw/zinc/98/70/02/1063987002.db2.gz KKZFJMZLDJOABJ-SIKLNZKXSA-N 1 3 322.496 4.446 20 0 DIADHO CCC[C@H](CC)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000381310629 1063991967 /nfs/dbraw/zinc/99/19/67/1063991967.db2.gz NROZXSNYZUWQOG-FUMNGEBKSA-N 1 3 300.490 4.065 20 0 DIADHO C[N@@H+]1CCC[C@]2(CCCN(Cc3ccc4cccccc3-4)C2)C1 ZINC001279694409 1064364393 /nfs/dbraw/zinc/36/43/93/1064364393.db2.gz YEDJNYMMBSIAHJ-NRFANRHFSA-N 1 3 308.469 4.099 20 0 DIADHO C[N@H+]1CCC[C@]2(CCCN(Cc3ccc4cccccc3-4)C2)C1 ZINC001279694409 1064364404 /nfs/dbraw/zinc/36/44/04/1064364404.db2.gz YEDJNYMMBSIAHJ-NRFANRHFSA-N 1 3 308.469 4.099 20 0 DIADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(C)c(F)c2)CC1 ZINC001307420197 1065380584 /nfs/dbraw/zinc/38/05/84/1065380584.db2.gz BGJFYSXYJWFGMN-UHFFFAOYSA-N 1 3 306.469 4.078 20 0 DIADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(C)c(F)c2)CC1 ZINC001307420197 1065380592 /nfs/dbraw/zinc/38/05/92/1065380592.db2.gz BGJFYSXYJWFGMN-UHFFFAOYSA-N 1 3 306.469 4.078 20 0 DIADHO CN(C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)CC1CC1 ZINC001307421960 1065383013 /nfs/dbraw/zinc/38/30/13/1065383013.db2.gz LFGZDEAUFKWFFD-JOCHJYFZSA-N 1 3 322.496 4.244 20 0 DIADHO CN(C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)CC1CC1 ZINC001307421960 1065383019 /nfs/dbraw/zinc/38/30/19/1065383019.db2.gz LFGZDEAUFKWFFD-JOCHJYFZSA-N 1 3 322.496 4.244 20 0 DIADHO CC1CC[NH+](C[C@@H]2CCCN(CCCC3CCCC3)C2)CC1 ZINC001307440341 1065401432 /nfs/dbraw/zinc/40/14/32/1065401432.db2.gz JRLYEUGCASNPLB-HXUWFJFHSA-N 1 3 306.538 4.401 20 0 DIADHO CC(C)Cc1ccc([C@H]([NH2+]CC[C@H]2CCCN2C)C2CC2)cc1 ZINC001307614336 1065518126 /nfs/dbraw/zinc/51/81/26/1065518126.db2.gz GEYZCXBTFBNKQH-RTWAWAEBSA-N 1 3 314.517 4.410 20 0 DIADHO CC(C)Cc1ccc([C@H](NCC[C@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC001307614336 1065518133 /nfs/dbraw/zinc/51/81/33/1065518133.db2.gz GEYZCXBTFBNKQH-RTWAWAEBSA-N 1 3 314.517 4.410 20 0 DIADHO CC(C)Cc1ccc([C@H](NCC[C@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC001307614336 1065518147 /nfs/dbraw/zinc/51/81/47/1065518147.db2.gz GEYZCXBTFBNKQH-RTWAWAEBSA-N 1 3 314.517 4.410 20 0 DIADHO CN1CCC[C@@H]1CC[NH2+][C@H](CC1CCCC1)c1ccccc1 ZINC001307634477 1065530405 /nfs/dbraw/zinc/53/04/05/1065530405.db2.gz GRZLIUCWSODFLN-WOJBJXKFSA-N 1 3 300.490 4.382 20 0 DIADHO C[N@@H+]1CCC[C@@H]1CCN[C@H](CC1CCCC1)c1ccccc1 ZINC001307634477 1065530421 /nfs/dbraw/zinc/53/04/21/1065530421.db2.gz GRZLIUCWSODFLN-WOJBJXKFSA-N 1 3 300.490 4.382 20 0 DIADHO C[N@H+]1CCC[C@@H]1CCN[C@H](CC1CCCC1)c1ccccc1 ZINC001307634477 1065530432 /nfs/dbraw/zinc/53/04/32/1065530432.db2.gz GRZLIUCWSODFLN-WOJBJXKFSA-N 1 3 300.490 4.382 20 0 DIADHO C[C@H]([NH2+]CC1CCC2(CC2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC001307670763 1065553147 /nfs/dbraw/zinc/55/31/47/1065553147.db2.gz SYQCNGBCJFUODY-WMZOPIPTSA-N 1 3 304.522 4.199 20 0 DIADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2C[C@@H]2CCCC[C@H]2C)CC1 ZINC001308001738 1065719248 /nfs/dbraw/zinc/71/92/48/1065719248.db2.gz HCWHZUOJADDBPY-AABGKKOBSA-N 1 3 306.538 4.399 20 0 DIADHO CC1CCN(CC[C@@H]2CCC[N@H+]2C[C@@H]2CCCC[C@H]2C)CC1 ZINC001308001738 1065719253 /nfs/dbraw/zinc/71/92/53/1065719253.db2.gz HCWHZUOJADDBPY-AABGKKOBSA-N 1 3 306.538 4.399 20 0 DIADHO C[C@@H](c1ccccc1)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001308058703 1065744588 /nfs/dbraw/zinc/74/45/88/1065744588.db2.gz DIPPOIDCJLXASR-BWAGFHJFSA-N 1 3 320.480 4.202 20 0 DIADHO C[C@@H](c1ccccc1)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001308058703 1065744603 /nfs/dbraw/zinc/74/46/03/1065744603.db2.gz DIPPOIDCJLXASR-BWAGFHJFSA-N 1 3 320.480 4.202 20 0 DIADHO CN1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)cc2)CC1(C)C ZINC001308238621 1065844828 /nfs/dbraw/zinc/84/48/28/1065844828.db2.gz WCIUQFFVQHNCHF-GOSISDBHSA-N 1 3 324.468 4.441 20 0 DIADHO CC(C)[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)c1ccccc1 ZINC001308299454 1065894218 /nfs/dbraw/zinc/89/42/18/1065894218.db2.gz CYKDMMOIRVQQMB-OAQYLSRUSA-N 1 3 314.517 4.423 20 0 DIADHO CCN(c1ccccc1)c1ccc(CNCCC[NH+]2CCC2)cc1 ZINC001308358569 1065938071 /nfs/dbraw/zinc/93/80/71/1065938071.db2.gz ITSICDFTLAWDGK-UHFFFAOYSA-N 1 3 323.484 4.030 20 0 DIADHO CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC001308589570 1066102936 /nfs/dbraw/zinc/10/29/36/1066102936.db2.gz HBCCEMCRJPGIPU-ACRUOGEOSA-N 1 3 318.549 4.423 20 0 DIADHO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC001308589570 1066102940 /nfs/dbraw/zinc/10/29/40/1066102940.db2.gz HBCCEMCRJPGIPU-ACRUOGEOSA-N 1 3 318.549 4.423 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1CCC1 ZINC001308634299 1066129281 /nfs/dbraw/zinc/12/92/81/1066129281.db2.gz DGOASYGZTKDGFJ-VRXWPRPYSA-N 1 3 312.501 4.065 20 0 DIADHO C[C@@H]([NH2+]C1CCC2(CCC2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC001308682047 1066154154 /nfs/dbraw/zinc/15/41/54/1066154154.db2.gz KCQDSAZLUSFWTQ-IAGOWNOFSA-N 1 3 304.522 4.342 20 0 DIADHO CN1CCC2(CCC[N@@H+]2Cc2cccc(CC3CCC3)c2)CC1 ZINC001308690341 1066182334 /nfs/dbraw/zinc/18/23/34/1066182334.db2.gz YEVASYWYGQIBNV-UHFFFAOYSA-N 1 3 312.501 4.089 20 0 DIADHO CN1CCC2(CCC[N@H+]2Cc2cccc(CC3CCC3)c2)CC1 ZINC001308690341 1066182338 /nfs/dbraw/zinc/18/23/38/1066182338.db2.gz YEVASYWYGQIBNV-UHFFFAOYSA-N 1 3 312.501 4.089 20 0 DIADHO Cc1scc(CN(C)Cc2ccc(C[NH+](C)C)cc2)c1C ZINC001308743358 1066218653 /nfs/dbraw/zinc/21/86/53/1066218653.db2.gz UYYDWOKTFTXYFJ-UHFFFAOYSA-N 1 3 302.487 4.059 20 0 DIADHO CC/C=C/CNC[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001308782448 1066256267 /nfs/dbraw/zinc/25/62/67/1066256267.db2.gz NYQMHSHHLIXBOZ-ISPXXFMDSA-N 1 3 314.517 4.481 20 0 DIADHO CC/C=C/CNC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001308782448 1066256276 /nfs/dbraw/zinc/25/62/76/1066256276.db2.gz NYQMHSHHLIXBOZ-ISPXXFMDSA-N 1 3 314.517 4.481 20 0 DIADHO CC/C=C/C[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001308782448 1066256284 /nfs/dbraw/zinc/25/62/84/1066256284.db2.gz NYQMHSHHLIXBOZ-ISPXXFMDSA-N 1 3 314.517 4.481 20 0 DIADHO c1ccc(CN2CCCC[C@H](C[NH2+][C@H]3CC[C@H]3C3CC3)C2)cc1 ZINC001308803495 1066279866 /nfs/dbraw/zinc/27/98/66/1066279866.db2.gz VXMJHOJVYDNSKX-GIVPXCGWSA-N 1 3 312.501 4.067 20 0 DIADHO CC1=C(C)C[C@H]([C@@H](C)N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC001308948304 1066413308 /nfs/dbraw/zinc/41/33/08/1066413308.db2.gz MOJGIMIUIRWULA-QWFCFKBJSA-N 1 3 315.505 4.189 20 0 DIADHO CCN(CC)CC[C@H]([NH2+][C@@H]1CCC12CCC2)c1ccccc1 ZINC001308981940 1066431254 /nfs/dbraw/zinc/43/12/54/1066431254.db2.gz PGYHPSZANUUEKZ-RBUKOAKNSA-N 1 3 300.490 4.382 20 0 DIADHO Cc1ccc2cc([C@H](C)NCC3(C)CC[NH+](C)CC3)oc2c1 ZINC000426033922 335020271 /nfs/dbraw/zinc/02/02/71/335020271.db2.gz DIIDHISZRLOJRI-HNNXBMFYSA-N 1 3 300.446 4.124 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2csc(C)c2)c1 ZINC000297968051 132042932 /nfs/dbraw/zinc/04/29/32/132042932.db2.gz ZRLKZXQFTYWWHB-OAHLLOKOSA-N 1 3 302.487 4.359 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2csc(C)c2)c1 ZINC000297968051 132042933 /nfs/dbraw/zinc/04/29/33/132042933.db2.gz ZRLKZXQFTYWWHB-OAHLLOKOSA-N 1 3 302.487 4.359 20 0 DIADHO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)cc1C ZINC000298229989 132051512 /nfs/dbraw/zinc/05/15/12/132051512.db2.gz BFUDSXYGVNHNOM-QGZVFWFLSA-N 1 3 309.457 4.018 20 0 DIADHO CC[NH+](CC)CC1CCN(Cc2ccc(OC(C)C)cc2)CC1 ZINC000558965562 331961316 /nfs/dbraw/zinc/96/13/16/331961316.db2.gz DIOVPNXKALCARP-UHFFFAOYSA-N 1 3 318.505 4.028 20 0 DIADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(C2CC2)c1 ZINC000569511686 332116214 /nfs/dbraw/zinc/11/62/14/332116214.db2.gz LRZGKHVHOVZMBO-MRXNPFEDSA-N 1 3 308.469 4.476 20 0 DIADHO CCc1c(C)nc2ccccc2c1N1CCC2(CCC[N@@H+]2C)CC1 ZINC000445593759 332145214 /nfs/dbraw/zinc/14/52/14/332145214.db2.gz RUMSHELHQXFUNC-UHFFFAOYSA-N 1 3 323.484 4.170 20 0 DIADHO CCc1c(C)nc2ccccc2c1N1CCC2(CCC[N@H+]2C)CC1 ZINC000445593759 332145215 /nfs/dbraw/zinc/14/52/15/332145215.db2.gz RUMSHELHQXFUNC-UHFFFAOYSA-N 1 3 323.484 4.170 20 0 DIADHO CC[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000394272457 332207521 /nfs/dbraw/zinc/20/75/21/332207521.db2.gz AILNCKUMBOROOZ-MJGOQNOKSA-N 1 3 314.498 4.311 20 0 DIADHO CC[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000394272457 332207522 /nfs/dbraw/zinc/20/75/22/332207522.db2.gz AILNCKUMBOROOZ-MJGOQNOKSA-N 1 3 314.498 4.311 20 0 DIADHO Cc1ccc([C@H](NCCCCC[NH+]2CCCC2)C2CCC2)o1 ZINC000559891087 332289739 /nfs/dbraw/zinc/28/97/39/332289739.db2.gz NGJPTYWHXYVBHD-LJQANCHMSA-N 1 3 304.478 4.285 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CCC2(CCCCC2)CC1 ZINC000572630204 332667929 /nfs/dbraw/zinc/66/79/29/332667929.db2.gz DWDXOLWYPVHPQO-HNNXBMFYSA-N 1 3 315.505 4.392 20 0 DIADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(Cl)c(Cl)c1 ZINC000570333113 332740229 /nfs/dbraw/zinc/74/02/29/332740229.db2.gz PPBNSQVDYVHMMU-NSHDSACASA-N 1 3 309.240 4.303 20 0 DIADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cc3ccccc3o2)C1 ZINC000518763344 333005999 /nfs/dbraw/zinc/00/59/99/333005999.db2.gz DBKDYJJZESIERU-IRXDYDNUSA-N 1 3 314.473 4.281 20 0 DIADHO N[C@H]1CCC[C@@H]([NH2+]CCC(c2ccccc2)c2ccccc2)C1 ZINC000580212679 333012806 /nfs/dbraw/zinc/01/28/06/333012806.db2.gz UIBIBPMECUQOJI-VQTJNVASSA-N 1 3 308.469 4.068 20 0 DIADHO CC(C)Oc1ccc([C@H](C)[NH2+]CCCN2CCCCC2)cc1 ZINC000314070018 333085720 /nfs/dbraw/zinc/08/57/20/333085720.db2.gz SUEMPFMAXZAICS-KRWDZBQOSA-N 1 3 304.478 4.000 20 0 DIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)c1ccsc1 ZINC000178012702 333134495 /nfs/dbraw/zinc/13/44/95/333134495.db2.gz DMUVPTYNDPHVOM-OAHLLOKOSA-N 1 3 302.487 4.439 20 0 DIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)c1ccsc1 ZINC000178012702 333134496 /nfs/dbraw/zinc/13/44/96/333134496.db2.gz DMUVPTYNDPHVOM-OAHLLOKOSA-N 1 3 302.487 4.439 20 0 DIADHO c1ccc(C[N@H+]2CC[C@@H](CN[C@H](c3ccccc3)C3CC3)C2)cc1 ZINC000310101975 333219336 /nfs/dbraw/zinc/21/93/36/333219336.db2.gz YDNOYVGEEWFNBN-SIKLNZKXSA-N 1 3 320.480 4.249 20 0 DIADHO c1ccc(C[N@@H+]2CC[C@@H](CN[C@H](c3ccccc3)C3CC3)C2)cc1 ZINC000310101975 333219338 /nfs/dbraw/zinc/21/93/38/333219338.db2.gz YDNOYVGEEWFNBN-SIKLNZKXSA-N 1 3 320.480 4.249 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCc3c2cccc3C)c1 ZINC000123906895 333336965 /nfs/dbraw/zinc/33/69/65/333336965.db2.gz NXWFKAVAUDHITE-NRFANRHFSA-N 1 3 308.469 4.224 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCc3c2cccc3C)c1 ZINC000123906895 333336966 /nfs/dbraw/zinc/33/69/66/333336966.db2.gz NXWFKAVAUDHITE-NRFANRHFSA-N 1 3 308.469 4.224 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CS1 ZINC000488453581 333379204 /nfs/dbraw/zinc/37/92/04/333379204.db2.gz WTCFBEOMXFTERR-WMZOPIPTSA-N 1 3 324.578 4.293 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)CS1 ZINC000488453581 333379205 /nfs/dbraw/zinc/37/92/05/333379205.db2.gz WTCFBEOMXFTERR-WMZOPIPTSA-N 1 3 324.578 4.293 20 0 DIADHO CCCC[N@H+](C)CC1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC000521428792 333382054 /nfs/dbraw/zinc/38/20/54/333382054.db2.gz UWHWBRAHENQWER-MRXNPFEDSA-N 1 3 306.469 4.331 20 0 DIADHO CCCC[N@@H+](C)CC1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC000521428792 333382055 /nfs/dbraw/zinc/38/20/55/333382055.db2.gz UWHWBRAHENQWER-MRXNPFEDSA-N 1 3 306.469 4.331 20 0 DIADHO FC(F)C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411329249 333654380 /nfs/dbraw/zinc/65/43/80/333654380.db2.gz RABAFUZCLZPOEN-UHFFFAOYSA-N 1 3 322.443 4.150 20 0 DIADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(Cl)c(Cl)c2)cc1 ZINC000414814430 334106538 /nfs/dbraw/zinc/10/65/38/334106538.db2.gz VNKAVADBIUHUHO-NSHDSACASA-N 1 3 309.240 4.303 20 0 DIADHO C[C@H]1C[C@@H]([NH2+]CCCCc2ccc(Cl)c(Cl)c2)CCN1 ZINC000414948849 334206821 /nfs/dbraw/zinc/20/68/21/334206821.db2.gz MQBJNJRCEQIBHA-JSGCOSHPSA-N 1 3 315.288 4.046 20 0 DIADHO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414951388 334207394 /nfs/dbraw/zinc/20/73/94/334207394.db2.gz PTYCUMIMYIOEMN-KCPJHIHWSA-N 1 3 315.288 4.045 20 0 DIADHO CC[C@H](Cc1ccc(Cl)cc1Cl)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414951388 334207396 /nfs/dbraw/zinc/20/73/96/334207396.db2.gz PTYCUMIMYIOEMN-KCPJHIHWSA-N 1 3 315.288 4.045 20 0 DIADHO C[C@H](NC[C@@H]1CC[NH2+][C@H](C)C1)c1cccc(Cl)c1Cl ZINC000415081859 334272815 /nfs/dbraw/zinc/27/28/15/334272815.db2.gz CLIPOGHJEDQTGL-GRYCIOLGSA-N 1 3 301.261 4.032 20 0 DIADHO C[C@@H](NC[C@@H]1CC[NH2+][C@H](C)C1)c1cccc(Cl)c1Cl ZINC000415081860 334272845 /nfs/dbraw/zinc/27/28/45/334272845.db2.gz CLIPOGHJEDQTGL-IJLUTSLNSA-N 1 3 301.261 4.032 20 0 DIADHO Cc1cc(CN[C@H](CCC[NH3+])c2ccccc2)cc2cccnc12 ZINC000415051925 334259161 /nfs/dbraw/zinc/25/91/61/334259161.db2.gz JYXAJWKWXCDERY-HXUWFJFHSA-N 1 3 319.452 4.113 20 0 DIADHO Cc1cc(CN[C@@H](CCC[NH3+])c2ccccc2)cc2cccnc12 ZINC000415051923 334259169 /nfs/dbraw/zinc/25/91/69/334259169.db2.gz JYXAJWKWXCDERY-FQEVSTJZSA-N 1 3 319.452 4.113 20 0 DIADHO [NH3+]CCC[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000415053225 334261418 /nfs/dbraw/zinc/26/14/18/334261418.db2.gz MBNUAGKUNQPUIW-QGZVFWFLSA-N 1 3 322.374 4.275 20 0 DIADHO C[C@H](N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000415117072 334284023 /nfs/dbraw/zinc/28/40/23/334284023.db2.gz FWALRRLGILVVJB-ZOCIIQOWSA-N 1 3 314.860 4.484 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000531957757 334313943 /nfs/dbraw/zinc/31/39/43/334313943.db2.gz FDXDLQVMZOMESF-QUCCMNQESA-N 1 3 300.490 4.238 20 0 DIADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](CC2CC2)c2ccccc2)C1 ZINC000531957757 334313945 /nfs/dbraw/zinc/31/39/45/334313945.db2.gz FDXDLQVMZOMESF-QUCCMNQESA-N 1 3 300.490 4.238 20 0 DIADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](CC2CC2)c2ccccc2)C1 ZINC000531957757 334313947 /nfs/dbraw/zinc/31/39/47/334313947.db2.gz FDXDLQVMZOMESF-QUCCMNQESA-N 1 3 300.490 4.238 20 0 DIADHO CC(C)c1ccc2c(c1)[C@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000534908382 334345620 /nfs/dbraw/zinc/34/56/20/334345620.db2.gz JIMXKEDKEJMDNU-HRAATJIYSA-N 1 3 312.501 4.261 20 0 DIADHO CC(C)c1ccc2c(c1)[C@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000534908382 334345622 /nfs/dbraw/zinc/34/56/22/334345622.db2.gz JIMXKEDKEJMDNU-HRAATJIYSA-N 1 3 312.501 4.261 20 0 DIADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccsc2)cc1 ZINC000050339226 334382045 /nfs/dbraw/zinc/38/20/45/334382045.db2.gz FZEUAXGDWRRHPT-OAHLLOKOSA-N 1 3 302.487 4.441 20 0 DIADHO FC(F)(F)CCCCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443601941 338456311 /nfs/dbraw/zinc/45/63/11/338456311.db2.gz OTWALDAEOXUWKC-UHFFFAOYSA-N 1 3 320.443 4.307 20 0 DIADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417312179 334705319 /nfs/dbraw/zinc/70/53/19/334705319.db2.gz NERSZRYPWLSULQ-FHLIZLRMSA-N 1 3 318.530 4.237 20 0 DIADHO Fc1ccc2c(c1)CC[C@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162898198 338469727 /nfs/dbraw/zinc/46/97/27/338469727.db2.gz KTASERBSFOPTLK-OAQYLSRUSA-N 1 3 324.443 4.199 20 0 DIADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000532492052 336250428 /nfs/dbraw/zinc/25/04/28/336250428.db2.gz NRRYNVXFWJDYAS-AWEZNQCLSA-N 1 3 324.509 4.463 20 0 DIADHO C[C@H](NCCCCC[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000532511516 336253024 /nfs/dbraw/zinc/25/30/24/336253024.db2.gz HSSHMGHZUNOOJS-HNNXBMFYSA-N 1 3 310.432 4.272 20 0 DIADHO CC(C)(C)[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000324829150 336261054 /nfs/dbraw/zinc/26/10/54/336261054.db2.gz HSCCWAHCRXAKOY-HXUWFJFHSA-N 1 3 323.484 4.427 20 0 DIADHO c1cc2cc(CNCc3cccc(C[NH+]4CCCC4)c3)ccc2o1 ZINC000352834583 336271417 /nfs/dbraw/zinc/27/14/17/336271417.db2.gz YCDREEVCZJFDPA-UHFFFAOYSA-N 1 3 320.436 4.318 20 0 DIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2cccc(O)c2)cc1 ZINC000192938391 336285277 /nfs/dbraw/zinc/28/52/77/336285277.db2.gz APXDYCAJRODDGD-INIZCTEOSA-N 1 3 312.457 4.085 20 0 DIADHO CCc1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)c2ccccc2n1 ZINC000301786651 336329753 /nfs/dbraw/zinc/32/97/53/336329753.db2.gz LNEYZYRUMDZGSJ-SFHVURJKSA-N 1 3 323.484 4.252 20 0 DIADHO CCC[NH+]1CCC(CN[C@H]2CCSc3ccc(F)cc32)CC1 ZINC000122640330 337017315 /nfs/dbraw/zinc/01/73/15/337017315.db2.gz WDMUHMBHFWDHHT-KRWDZBQOSA-N 1 3 322.493 4.074 20 0 DIADHO C[C@H]1C[C@H]([NH2+]C2CCN(CC3CC3)CC2)c2ccsc2S1 ZINC000178254909 337161703 /nfs/dbraw/zinc/16/17/03/337161703.db2.gz KNIMAKFTAXKBPE-LRDDRELGSA-N 1 3 322.543 4.138 20 0 DIADHO Cc1nc(C)c([C@H](C)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000178111436 337162403 /nfs/dbraw/zinc/16/24/03/337162403.db2.gz IZHMHGBIBYLRBM-KKUMJFAQSA-N 1 3 323.550 4.169 20 0 DIADHO CC[C@H](N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000183190150 337190348 /nfs/dbraw/zinc/19/03/48/337190348.db2.gz RWEBBSUFGBSQKJ-POAQFYNOSA-N 1 3 300.490 4.380 20 0 DIADHO CC[C@H](N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000183190150 337190349 /nfs/dbraw/zinc/19/03/49/337190349.db2.gz RWEBBSUFGBSQKJ-POAQFYNOSA-N 1 3 300.490 4.380 20 0 DIADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccccc1 ZINC000183190150 337190350 /nfs/dbraw/zinc/19/03/50/337190350.db2.gz RWEBBSUFGBSQKJ-POAQFYNOSA-N 1 3 300.490 4.380 20 0 DIADHO COc1ccc2oc([C@@H](C)NCc3ccc(C[NH3+])cc3)c(C)c2c1 ZINC000582965041 337221747 /nfs/dbraw/zinc/22/17/47/337221747.db2.gz XANGEAKPYJPNEY-CQSZACIVSA-N 1 3 324.424 4.059 20 0 DIADHO CCCC[N@H+](C)CC1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000520791674 337390931 /nfs/dbraw/zinc/39/09/31/337390931.db2.gz WEYQMEARWYEWKJ-MRXNPFEDSA-N 1 3 306.469 4.331 20 0 DIADHO CCCC[N@@H+](C)CC1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000520791674 337390932 /nfs/dbraw/zinc/39/09/32/337390932.db2.gz WEYQMEARWYEWKJ-MRXNPFEDSA-N 1 3 306.469 4.331 20 0 DIADHO CC[C@H](N[C@H](C)c1ccc(C[NH3+])nc1C)c1ccc(Cl)s1 ZINC000422724974 337684230 /nfs/dbraw/zinc/68/42/30/337684230.db2.gz AAILEHRAIDKIMH-RISCZKNCSA-N 1 3 323.893 4.366 20 0 DIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000422739266 337684621 /nfs/dbraw/zinc/68/46/21/337684621.db2.gz KXBWGZVHDQYAMO-WOPDTQHZSA-N 1 3 321.465 4.034 20 0 DIADHO CC[C@H](C)[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000422791972 337686943 /nfs/dbraw/zinc/68/69/43/337686943.db2.gz YXOBMURDRHHVGI-HTESGQIESA-N 1 3 306.881 4.300 20 0 DIADHO C[C@H](CCC[NH3+])N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000422951716 337694569 /nfs/dbraw/zinc/69/45/69/337694569.db2.gz ZWGPZZFRJHRWOO-WBMJQRKESA-N 1 3 308.878 4.208 20 0 DIADHO Clc1cccc([C@H]2C[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423093233 337698973 /nfs/dbraw/zinc/69/89/73/337698973.db2.gz GQULQEKEAQEFAR-GPFWEFOESA-N 1 3 318.892 4.096 20 0 DIADHO COc1ccc2c(c1)C(C)(C)C[C@H]2NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423291510 337710132 /nfs/dbraw/zinc/71/01/32/337710132.db2.gz IRCMQVSJAXHJEX-JLTOFOAXSA-N 1 3 324.468 4.227 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCSc3c(F)cccc32)cc1 ZINC000423292285 337710325 /nfs/dbraw/zinc/71/03/25/337710325.db2.gz MJODRANLCCLRLQ-PXAZEXFGSA-N 1 3 316.445 4.172 20 0 DIADHO Cc1cc(C)c2c(c1)[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)CCCO2 ZINC000423296015 337710694 /nfs/dbraw/zinc/71/06/94/337710694.db2.gz YFONYANYBPRSJM-JXFKEZNVSA-N 1 3 324.468 4.327 20 0 DIADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1C(F)(F)F ZINC000423355855 337713971 /nfs/dbraw/zinc/71/39/71/337713971.db2.gz IQIFJXVYIOFBFC-LBPRGKRZSA-N 1 3 320.358 4.159 20 0 DIADHO Cc1ccc([C@@H](NCc2ccc3c(c2)C[NH2+]C3)C2CCCC2)o1 ZINC000423364402 337714714 /nfs/dbraw/zinc/71/47/14/337714714.db2.gz AOJJTFPGZUHXIR-FQEVSTJZSA-N 1 3 310.441 4.212 20 0 DIADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc2c(c1)CCCC2 ZINC000423368172 337714861 /nfs/dbraw/zinc/71/48/61/337714861.db2.gz DCWCCNNXHFKAGP-HNNXBMFYSA-N 1 3 306.453 4.019 20 0 DIADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CCN1 ZINC000423367314 337714894 /nfs/dbraw/zinc/71/48/94/337714894.db2.gz AEGDCDSGHUFQEI-MOIQIXESSA-N 1 3 306.881 4.096 20 0 DIADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000423420947 337716797 /nfs/dbraw/zinc/71/67/97/337716797.db2.gz ANQREWPHHGABRQ-FUEDEBDSSA-N 1 3 313.272 4.032 20 0 DIADHO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000423377624 337717583 /nfs/dbraw/zinc/71/75/83/337717583.db2.gz VUARJUBOLGNCNB-OAGGEKHMSA-N 1 3 313.489 4.084 20 0 DIADHO C[C@@H](CCCC[NH3+])N[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423443132 337719345 /nfs/dbraw/zinc/71/93/45/337719345.db2.gz VLISMNQHRYEJFY-MGPUTAFESA-N 1 3 323.440 4.024 20 0 DIADHO C[C@@H](NCCC[C@H]1CCC[NH2+]1)c1cccc(Cl)c1Cl ZINC000423484378 337722179 /nfs/dbraw/zinc/72/21/79/337722179.db2.gz QXVGCGNFACMNSN-NEPJUHHUSA-N 1 3 301.261 4.176 20 0 DIADHO CC1(C)C[C@@H](N[C@H](CCC[NH3+])c2ccccc2)c2ccccc21 ZINC000423498557 337723271 /nfs/dbraw/zinc/72/32/71/337723271.db2.gz IDQSAEOUGAGRMG-WOJBJXKFSA-N 1 3 308.469 4.479 20 0 DIADHO [NH3+]CCC[C@@H](N[C@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000423499892 337723319 /nfs/dbraw/zinc/72/33/19/337723319.db2.gz BOJBUEFMMFTQCE-UXHICEINSA-N 1 3 312.432 4.273 20 0 DIADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc2c(c1)CCC2 ZINC000423513600 337724230 /nfs/dbraw/zinc/72/42/30/337724230.db2.gz VKTHDWZISKLDOO-IERDGZPVSA-N 1 3 308.469 4.306 20 0 DIADHO Cc1ccoc1CNC1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000426294156 338025125 /nfs/dbraw/zinc/02/51/25/338025125.db2.gz SOZZMWNDPXXRHO-UHFFFAOYSA-N 1 3 312.457 4.121 20 0 DIADHO Cc1ccoc1CNC1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000426294156 338025126 /nfs/dbraw/zinc/02/51/26/338025126.db2.gz SOZZMWNDPXXRHO-UHFFFAOYSA-N 1 3 312.457 4.121 20 0 DIADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000430746697 338113318 /nfs/dbraw/zinc/11/33/18/338113318.db2.gz IRFAEMKTMNFCRW-INMHGKMJSA-N 1 3 314.464 4.055 20 0 DIADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000430746695 338113334 /nfs/dbraw/zinc/11/33/34/338113334.db2.gz IRFAEMKTMNFCRW-BFYDXBDKSA-N 1 3 314.464 4.055 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000436228247 338262561 /nfs/dbraw/zinc/26/25/61/338262561.db2.gz AYKZXFWQKZUQCE-HBMCJLEFSA-N 1 3 314.517 4.108 20 0 DIADHO CN(C)Cc1cccc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)c1 ZINC000436267683 338264465 /nfs/dbraw/zinc/26/44/65/338264465.db2.gz QXEWQTDTSLMQDS-LEWJYISDSA-N 1 3 308.469 4.174 20 0 DIADHO CCCN(CCC)CCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000438075473 338329652 /nfs/dbraw/zinc/32/96/52/338329652.db2.gz RABFMJNFNGRKNP-LSDHHAIUSA-N 1 3 308.432 4.209 20 0 DIADHO Clc1scc(CNCC2CC[NH+](C3CC3)CC2)c1Cl ZINC000446887585 338539585 /nfs/dbraw/zinc/53/95/85/338539585.db2.gz VZWPABQPKSAZLH-UHFFFAOYSA-N 1 3 319.301 4.019 20 0 DIADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1Cl ZINC000447576025 338558304 /nfs/dbraw/zinc/55/83/04/338558304.db2.gz AGWLHKHUPYJWJP-GFCCVEGCSA-N 1 3 310.844 4.004 20 0 DIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC[C@@H]2CCCCO2)CC1 ZINC000449233154 338604964 /nfs/dbraw/zinc/60/49/64/338604964.db2.gz XMEMHHHPTZAMFU-SFHVURJKSA-N 1 3 324.553 4.214 20 0 DIADHO CC[C@@H](NCc1ccccc1C[NH+](CC)CC)c1ccncc1 ZINC000453087427 338792219 /nfs/dbraw/zinc/79/22/19/338792219.db2.gz NXNUFLSJALCIIA-HXUWFJFHSA-N 1 3 311.473 4.164 20 0 DIADHO Cc1ccccc1[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C(C)C ZINC000459429859 339028671 /nfs/dbraw/zinc/02/86/71/339028671.db2.gz PQQXBQXFDYVCQF-NRFANRHFSA-N 1 3 323.484 4.346 20 0 DIADHO c1cc(N2CCC([NH2+]Cc3ccc(C4CCC4)cc3)CC2)ccn1 ZINC000459502123 339032900 /nfs/dbraw/zinc/03/29/00/339032900.db2.gz FSVMHIBDPQJLTC-UHFFFAOYSA-N 1 3 321.468 4.108 20 0 DIADHO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3ccncc3)CC1)CCC2 ZINC000459556165 339035520 /nfs/dbraw/zinc/03/55/20/339035520.db2.gz JSNSCPJTVZWLRP-OAQYLSRUSA-N 1 3 321.468 4.026 20 0 DIADHO CC(C)[C@@H]1CCc2ccccc2[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000462842932 339093911 /nfs/dbraw/zinc/09/39/11/339093911.db2.gz SXNITHCLPISKIW-YOUFYPILSA-N 1 3 312.501 4.163 20 0 DIADHO CC(C)[C@@H]1CCc2ccccc2[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000462842932 339093912 /nfs/dbraw/zinc/09/39/12/339093912.db2.gz SXNITHCLPISKIW-YOUFYPILSA-N 1 3 312.501 4.163 20 0 DIADHO CC(C)[C@@H]1CCc2ccccc2[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000462842931 339093915 /nfs/dbraw/zinc/09/39/15/339093915.db2.gz SXNITHCLPISKIW-XODKDNOYSA-N 1 3 312.501 4.163 20 0 DIADHO CC(C)[C@@H]1CCc2ccccc2[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000462842931 339093916 /nfs/dbraw/zinc/09/39/16/339093916.db2.gz SXNITHCLPISKIW-XODKDNOYSA-N 1 3 312.501 4.163 20 0 DIADHO C[C@H]1CCCCN1CCC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466464009 339206111 /nfs/dbraw/zinc/20/61/11/339206111.db2.gz PUXZAQXNFQDZEQ-FHERZECASA-N 1 3 320.443 4.209 20 0 DIADHO CC(C)CN1CCC([NH2+]C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000470192843 339313568 /nfs/dbraw/zinc/31/35/68/339313568.db2.gz CSYYULYUVKQJJB-OAHLLOKOSA-N 1 3 308.897 4.154 20 0 DIADHO CC(C)C[NH+]1CCC(NC[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000470192843 339313569 /nfs/dbraw/zinc/31/35/69/339313569.db2.gz CSYYULYUVKQJJB-OAHLLOKOSA-N 1 3 308.897 4.154 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](C)c2cccc(Cl)c2)C1 ZINC000470354693 339317931 /nfs/dbraw/zinc/31/79/31/339317931.db2.gz RPJQRCXVTQGIHS-HOTGVXAUSA-N 1 3 308.897 4.154 20 0 DIADHO Cc1ccc2[nH]c(CNCc3ccc(C[NH+](C)C)cc3)cc2c1C ZINC000472070792 339362335 /nfs/dbraw/zinc/36/23/35/339362335.db2.gz VWHBCCDSKIXFAV-UHFFFAOYSA-N 1 3 321.468 4.136 20 0 DIADHO CCSc1cccc(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000473136495 339382009 /nfs/dbraw/zinc/38/20/09/339382009.db2.gz ALXXQVVVQUWSQU-UHFFFAOYSA-N 1 3 318.530 4.106 20 0 DIADHO CCC[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccccn1 ZINC000500651302 340064453 /nfs/dbraw/zinc/06/44/53/340064453.db2.gz MYVMAZZHXTXNSV-MSOLQXFVSA-N 1 3 303.494 4.167 20 0 DIADHO CCC[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccccn1 ZINC000500651302 340064454 /nfs/dbraw/zinc/06/44/54/340064454.db2.gz MYVMAZZHXTXNSV-MSOLQXFVSA-N 1 3 303.494 4.167 20 0 DIADHO Cc1cccc([C@H](C)[N@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000501018177 340072414 /nfs/dbraw/zinc/07/24/14/340072414.db2.gz DGOVLDIHUKFRNU-SFHVURJKSA-N 1 3 323.484 4.299 20 0 DIADHO Cc1cccc([C@H](C)[N@@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000501018177 340072415 /nfs/dbraw/zinc/07/24/15/340072415.db2.gz DGOVLDIHUKFRNU-SFHVURJKSA-N 1 3 323.484 4.299 20 0 DIADHO CC(C)Oc1ccccc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000501770143 340088143 /nfs/dbraw/zinc/08/81/43/340088143.db2.gz NDTDJKRTYFCDIV-UHFFFAOYSA-N 1 3 318.505 4.028 20 0 DIADHO CCCN1CCC([N@H+](C)C/C=C/c2ccc(Cl)cc2)CC1 ZINC000510467055 340300340 /nfs/dbraw/zinc/30/03/40/340300340.db2.gz FZKHMYNYRUPVLL-SNAWJCMRSA-N 1 3 306.881 4.159 20 0 DIADHO CCCN1CCC([N@@H+](C)C/C=C/c2ccc(Cl)cc2)CC1 ZINC000510467055 340300341 /nfs/dbraw/zinc/30/03/41/340300341.db2.gz FZKHMYNYRUPVLL-SNAWJCMRSA-N 1 3 306.881 4.159 20 0 DIADHO Fc1ccc2c(c1)[C@@H](N1CCC(C[NH+]3CCCC3)CC1)CCC2 ZINC000510495911 340301074 /nfs/dbraw/zinc/30/10/74/340301074.db2.gz KZMUBHOCVRIHIJ-FQEVSTJZSA-N 1 3 316.464 4.011 20 0 DIADHO FCCC[C@H]1CCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000510722486 340308169 /nfs/dbraw/zinc/30/81/69/340308169.db2.gz OZQITIMHAKXIMH-VQIMIIECSA-N 1 3 310.501 4.292 20 0 DIADHO Clc1ccccc1C1CC(N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000510807734 340311655 /nfs/dbraw/zinc/31/16/55/340311655.db2.gz BYAUDKLSCRJYHG-PCKAHOCUSA-N 1 3 318.892 4.193 20 0 DIADHO Clc1ccccc1C1CC(N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000510807734 340311656 /nfs/dbraw/zinc/31/16/56/340311656.db2.gz BYAUDKLSCRJYHG-PCKAHOCUSA-N 1 3 318.892 4.193 20 0 DIADHO COCC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)C(C)(C)C ZINC000510996773 340317582 /nfs/dbraw/zinc/31/75/82/340317582.db2.gz UNWDVDVOMZUDSV-UHOSZYNNSA-N 1 3 324.553 4.070 20 0 DIADHO CCCN1CCC([N@H+](C)Cc2ccc(SC(C)C)cc2)CC1 ZINC000511139973 340322285 /nfs/dbraw/zinc/32/22/85/340322285.db2.gz DVAAWFOLFUMPIA-UHFFFAOYSA-N 1 3 320.546 4.493 20 0 DIADHO CCCN1CCC([N@@H+](C)Cc2ccc(SC(C)C)cc2)CC1 ZINC000511139973 340322286 /nfs/dbraw/zinc/32/22/86/340322286.db2.gz DVAAWFOLFUMPIA-UHFFFAOYSA-N 1 3 320.546 4.493 20 0 DIADHO C[C@@H]([NH2+]Cc1ccc2occc2c1)[C@H]1CCCN(C2CCC2)C1 ZINC000511912622 340342811 /nfs/dbraw/zinc/34/28/11/340342811.db2.gz QQDAWKQUWGXIEJ-QAPCUYQASA-N 1 3 312.457 4.175 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000173387782 340363945 /nfs/dbraw/zinc/36/39/45/340363945.db2.gz XYCPEDULBYIVFS-CQSZACIVSA-N 1 3 318.411 4.267 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000173387782 340363946 /nfs/dbraw/zinc/36/39/46/340363946.db2.gz XYCPEDULBYIVFS-CQSZACIVSA-N 1 3 318.411 4.267 20 0 DIADHO CSc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000173388722 340364035 /nfs/dbraw/zinc/36/40/35/340364035.db2.gz IESXJZHEBZRHFF-JKSUJKDBSA-N 1 3 306.519 4.180 20 0 DIADHO CCC[N@@H+]1CC[C@@H](CNC/C(C)=C/c2ccc(Cl)cc2)C1 ZINC000513003896 340387861 /nfs/dbraw/zinc/38/78/61/340387861.db2.gz LLVOUCVJOJJARX-JMPLCFMRSA-N 1 3 306.881 4.065 20 0 DIADHO CCC[N@H+]1CC[C@@H](CNC/C(C)=C/c2ccc(Cl)cc2)C1 ZINC000513003896 340387862 /nfs/dbraw/zinc/38/78/62/340387862.db2.gz LLVOUCVJOJJARX-JMPLCFMRSA-N 1 3 306.881 4.065 20 0 DIADHO CC(C)Sc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000513127911 340394377 /nfs/dbraw/zinc/39/43/77/340394377.db2.gz MIWFUQGQJBHREK-JWTNVVGKSA-N 1 3 318.530 4.244 20 0 DIADHO CC(C)Sc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000513127911 340394378 /nfs/dbraw/zinc/39/43/78/340394378.db2.gz MIWFUQGQJBHREK-JWTNVVGKSA-N 1 3 318.530 4.244 20 0 DIADHO C1C[C@@H]2CC[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)C[C@@H]2C1 ZINC000513207774 340397174 /nfs/dbraw/zinc/39/71/74/340397174.db2.gz FVKXVODREWXJTQ-ZIFCJYIRSA-N 1 3 304.522 4.342 20 0 DIADHO C[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cccs1 ZINC000178173407 340447467 /nfs/dbraw/zinc/44/74/67/340447467.db2.gz LRAOPATUJWUIEF-LSDHHAIUSA-N 1 3 318.486 4.100 20 0 DIADHO C[C@@H]([NH2+]CC1CCN(Cc2cccs2)CC1)c1ccsc1 ZINC000178222296 340447902 /nfs/dbraw/zinc/44/79/02/340447902.db2.gz VXWSEJAPZUUDLS-CQSZACIVSA-N 1 3 320.527 4.372 20 0 DIADHO CC[NH+](CC)CCC[C@@H](C)N[C@H](C)c1csc(C(C)C)n1 ZINC000186193395 340509161 /nfs/dbraw/zinc/50/91/61/340509161.db2.gz JZKVCLANCHDXOR-HUUCEWRRSA-N 1 3 311.539 4.428 20 0 DIADHO CSCCCCC[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000186772566 340515701 /nfs/dbraw/zinc/51/57/01/340515701.db2.gz IQOCOBGEIVPIPA-FUHWJXTLSA-N 1 3 312.567 4.152 20 0 DIADHO CC[C@H](c1ccc(F)cc1F)N1CCC(C[NH+](CC)CC)CC1 ZINC000524141765 340648268 /nfs/dbraw/zinc/64/82/68/340648268.db2.gz YERIWQVKPLVIRL-LJQANCHMSA-N 1 3 324.459 4.470 20 0 DIADHO C[C@H]([NH2+]CC1CCN(Cc2cccs2)CC1)C1CCCC1 ZINC000125516756 340804655 /nfs/dbraw/zinc/80/46/55/340804655.db2.gz NDDWARHKXRGIBR-HNNXBMFYSA-N 1 3 306.519 4.128 20 0 DIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C3CCC(F)(F)CC3)CC2)C1 ZINC000540155013 340918137 /nfs/dbraw/zinc/91/81/37/340918137.db2.gz DWKYYTDHAQXBPR-PBHICJAKSA-N 1 3 314.464 4.197 20 0 DIADHO CCOc1ccc([C@@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)cc1 ZINC000543416366 341043405 /nfs/dbraw/zinc/04/34/05/341043405.db2.gz JBOMSECOYGZNMC-IAGOWNOFSA-N 1 3 304.478 4.000 20 0 DIADHO CSc1ccc([C@@H](C)[NH2+]CC[C@H](C)N2CCCCC2)cc1 ZINC000543417950 341043537 /nfs/dbraw/zinc/04/35/37/341043537.db2.gz JHSBAINAOIREGL-JKSUJKDBSA-N 1 3 306.519 4.324 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-c3ccccc3)s2)C1 ZINC000543600114 341050484 /nfs/dbraw/zinc/05/04/84/341050484.db2.gz BKPQJXRMJQJSMD-HOTGVXAUSA-N 1 3 314.498 4.408 20 0 DIADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(-c3ccccc3)s2)C1 ZINC000543600114 341050485 /nfs/dbraw/zinc/05/04/85/341050485.db2.gz BKPQJXRMJQJSMD-HOTGVXAUSA-N 1 3 314.498 4.408 20 0 DIADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(-c3ccccc3)s2)C1 ZINC000543600114 341050486 /nfs/dbraw/zinc/05/04/86/341050486.db2.gz BKPQJXRMJQJSMD-HOTGVXAUSA-N 1 3 314.498 4.408 20 0 DIADHO C[NH+](C)CCCC1CCN(C/C=C\c2ccc(F)cc2F)CC1 ZINC000543631490 341052174 /nfs/dbraw/zinc/05/21/74/341052174.db2.gz JUGCVJANQIMZTL-XQRVVYSFSA-N 1 3 322.443 4.032 20 0 DIADHO C[N@@H+]1CCC[C@H](CN[C@H](c2cc3ccccc3o2)C(C)(C)C)C1 ZINC000543707156 341054538 /nfs/dbraw/zinc/05/45/38/341054538.db2.gz BYJZGAHKVIXKLK-DNVCBOLYSA-N 1 3 314.473 4.451 20 0 DIADHO C[N@H+]1CCC[C@H](CN[C@H](c2cc3ccccc3o2)C(C)(C)C)C1 ZINC000543707156 341054539 /nfs/dbraw/zinc/05/45/39/341054539.db2.gz BYJZGAHKVIXKLK-DNVCBOLYSA-N 1 3 314.473 4.451 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000131219332 341066625 /nfs/dbraw/zinc/06/66/25/341066625.db2.gz QLPYIFJPWRNFGN-YZGWKJHDSA-N 1 3 300.490 4.033 20 0 DIADHO CC(C)[N@H+](C)CC1CCN([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000544146475 341072385 /nfs/dbraw/zinc/07/23/85/341072385.db2.gz RQEWVSSHMKQBPL-IBGZPJMESA-N 1 3 320.908 4.380 20 0 DIADHO CC(C)[N@@H+](C)CC1CCN([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000544146475 341072386 /nfs/dbraw/zinc/07/23/86/341072386.db2.gz RQEWVSSHMKQBPL-IBGZPJMESA-N 1 3 320.908 4.380 20 0 DIADHO CCC[NH+]1CCC(CN[C@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000544575500 341086671 /nfs/dbraw/zinc/08/66/71/341086671.db2.gz KZAYIFMXHZOVHV-IBGZPJMESA-N 1 3 304.478 4.141 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000245453176 341294950 /nfs/dbraw/zinc/29/49/50/341294950.db2.gz FHVSVSVNERQYDM-ZIAGYGMSSA-N 1 3 314.395 4.088 20 0 DIADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000549613285 341299049 /nfs/dbraw/zinc/29/90/49/341299049.db2.gz CXINAQDYMHWCOL-ZFMNYDKASA-N 1 3 314.517 4.136 20 0 DIADHO C[C@@H](NCCCCC[NH+]1CCCC1)c1cc2ccccc2o1 ZINC000550883770 341325476 /nfs/dbraw/zinc/32/54/76/341325476.db2.gz ZTHUESAKDMATOO-MRXNPFEDSA-N 1 3 300.446 4.350 20 0 DIADHO CCOc1ccc(CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551010300 341329185 /nfs/dbraw/zinc/32/91/85/341329185.db2.gz ZRXOXWKIQNTPGD-FPOVZHCZSA-N 1 3 324.468 4.010 20 0 DIADHO CCOc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551010300 341329186 /nfs/dbraw/zinc/32/91/86/341329186.db2.gz ZRXOXWKIQNTPGD-FPOVZHCZSA-N 1 3 324.468 4.010 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2cccc(C3CC3)c2)C1 ZINC000551030145 341329717 /nfs/dbraw/zinc/32/97/17/341329717.db2.gz YHTYDGUWUKKAFE-DLBZAZTESA-N 1 3 300.490 4.335 20 0 DIADHO CCc1cnccc1[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551083648 341331088 /nfs/dbraw/zinc/33/10/88/341331088.db2.gz KIJLJIPUOOOWKP-LDQXTDLNSA-N 1 3 323.484 4.130 20 0 DIADHO CCc1cnccc1[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551083648 341331089 /nfs/dbraw/zinc/33/10/89/341331089.db2.gz KIJLJIPUOOOWKP-LDQXTDLNSA-N 1 3 323.484 4.130 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2cnc3ccsc3c2)C1 ZINC000247149041 341361576 /nfs/dbraw/zinc/36/15/76/341361576.db2.gz WXABMYMWGHVBJY-HUUCEWRRSA-N 1 3 317.502 4.067 20 0 DIADHO FC(F)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000248389869 341376224 /nfs/dbraw/zinc/37/62/24/341376224.db2.gz HGVLKBQTJFVDLT-FUHWJXTLSA-N 1 3 320.427 4.073 20 0 DIADHO FC(F)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000248389869 341376225 /nfs/dbraw/zinc/37/62/25/341376225.db2.gz HGVLKBQTJFVDLT-FUHWJXTLSA-N 1 3 320.427 4.073 20 0 DIADHO Cc1ccccc1[C@H](C)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248396025 341376450 /nfs/dbraw/zinc/37/64/50/341376450.db2.gz GRFNZKPMNHBKLH-BZSNNMDCSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccccc1[C@H](C)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248396025 341376451 /nfs/dbraw/zinc/37/64/51/341376451.db2.gz GRFNZKPMNHBKLH-BZSNNMDCSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248396025 341376452 /nfs/dbraw/zinc/37/64/52/341376452.db2.gz GRFNZKPMNHBKLH-BZSNNMDCSA-N 1 3 300.490 4.299 20 0 DIADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000566076057 341547007 /nfs/dbraw/zinc/54/70/07/341547007.db2.gz YFUOTPPNIULUMO-APWZRJJASA-N 1 3 304.522 4.342 20 0 DIADHO CCc1c2ccccc2oc1[C@@H](C)NCc1ccc(C[NH3+])cc1 ZINC000567049248 341576810 /nfs/dbraw/zinc/57/68/10/341576810.db2.gz HHDJUBZCMBPXKG-CQSZACIVSA-N 1 3 308.425 4.305 20 0 DIADHO COc1cccc2c1CCC[C@@H]2N[C@@H](CCC[NH3+])c1ccccc1 ZINC000575373777 341795442 /nfs/dbraw/zinc/79/54/42/341795442.db2.gz AGAXSECKPDRXBY-PMACEKPBSA-N 1 3 324.468 4.142 20 0 DIADHO Cc1nc(-c2ccc([C@H](C)N[C@H]3CCC[C@@H]([NH3+])C3)cc2)cs1 ZINC000576530662 341851207 /nfs/dbraw/zinc/85/12/07/341851207.db2.gz YHTIUGMCAYMOGX-VUCTXSBTSA-N 1 3 315.486 4.039 20 0 DIADHO C[NH+](C)Cc1ccc(CN[C@@H]2CC(C)(C)c3ccccc32)cc1 ZINC000178382710 341952854 /nfs/dbraw/zinc/95/28/54/341952854.db2.gz XRCIFDCKSFVDMR-HXUWFJFHSA-N 1 3 308.469 4.260 20 0 DIADHO CCN([C@@H]1CCOC1)C1CC[NH+](CC[C@H](C)CC(C)(C)C)CC1 ZINC001208663901 1035787694 /nfs/dbraw/zinc/78/76/94/1035787694.db2.gz JQMPAFQSOQJMIC-PKOBYXMFSA-N 1 3 324.553 4.024 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000314916512 1035930055 /nfs/dbraw/zinc/93/00/55/1035930055.db2.gz MLUXUGMOIVXOOP-RLLQIKCJSA-N 1 3 300.490 4.033 20 0 DIADHO Cc1ccc([C@@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)c2ccccc2)cc1 ZINC000180094739 1036032977 /nfs/dbraw/zinc/03/29/77/1036032977.db2.gz DYSVGNIALINBBH-AVRDEDQJSA-N 1 3 320.480 4.158 20 0 DIADHO Cc1ccc([C@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)c2ccccc2)cc1 ZINC000180094720 1036034204 /nfs/dbraw/zinc/03/42/04/1036034204.db2.gz DYSVGNIALINBBH-PGRDOPGGSA-N 1 3 320.480 4.158 20 0 DIADHO C[C@@H]1C[C@@H]1c1ccc(CNCCCCC[NH+]2CCCCC2)o1 ZINC000237360696 1036366058 /nfs/dbraw/zinc/36/60/58/1036366058.db2.gz VKKSRDORCAOWDQ-AEFFLSMTSA-N 1 3 304.478 4.149 20 0 DIADHO c1ccc2c(c1)-c1ccccc1C2N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324627464 1036426969 /nfs/dbraw/zinc/42/69/69/1036426969.db2.gz PSOPVDBIFBAKOW-KKSFZXQISA-N 1 3 318.464 4.220 20 0 DIADHO c1cc2cc(CNCc3cccc(C[NH+]4CCCC4)c3)ccc2[nH]1 ZINC000655708810 1036494455 /nfs/dbraw/zinc/49/44/55/1036494455.db2.gz UCNHLHIIPQHAPR-UHFFFAOYSA-N 1 3 319.452 4.054 20 0 DIADHO CCCC[C@H](NCC[C@H]1CCC[N@@H+]1C)c1ccc(OC)cc1 ZINC000341796738 1038270023 /nfs/dbraw/zinc/27/00/23/1038270023.db2.gz JEKXZKZYGLUGAL-MJGOQNOKSA-N 1 3 304.478 4.000 20 0 DIADHO CCCC[C@H](NCC[C@H]1CCC[N@H+]1C)c1ccc(OC)cc1 ZINC000341796738 1038270031 /nfs/dbraw/zinc/27/00/31/1038270031.db2.gz JEKXZKZYGLUGAL-MJGOQNOKSA-N 1 3 304.478 4.000 20 0 DIADHO CCC[C@@H](NCC1CC[NH+](C2CC2)CC1)c1ncccc1Cl ZINC000926307230 1038328614 /nfs/dbraw/zinc/32/86/14/1038328614.db2.gz JHTOLCIQBVSFSZ-QGZVFWFLSA-N 1 3 321.896 4.040 20 0 DIADHO Cc1ccc2ccccc2c1CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001167599813 1038761098 /nfs/dbraw/zinc/76/10/98/1038761098.db2.gz ZSCLTQRZXWFYOP-LJQANCHMSA-N 1 3 322.496 4.312 20 0 DIADHO Cc1ccc2ccccc2c1CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001167599813 1038761109 /nfs/dbraw/zinc/76/11/09/1038761109.db2.gz ZSCLTQRZXWFYOP-LJQANCHMSA-N 1 3 322.496 4.312 20 0 DIADHO c1ccc2c(c1)nccc2N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000608079548 1038765367 /nfs/dbraw/zinc/76/53/67/1038765367.db2.gz QRABPOICOXNRRH-UHFFFAOYSA-N 1 3 323.484 4.327 20 0 DIADHO [NH3+][C@H]1C[C@@H](N2CCC(Cc3ccccc3)CC2)c2ccccc21 ZINC000261618820 1039085688 /nfs/dbraw/zinc/08/56/88/1039085688.db2.gz BWTIBKQWHXCFSB-LEWJYISDSA-N 1 3 306.453 4.086 20 0 DIADHO [NH3+][C@@H]1C[C@@H](N2CCC(Cc3ccccc3)CC2)c2ccccc21 ZINC000261618823 1039089311 /nfs/dbraw/zinc/08/93/11/1039089311.db2.gz BWTIBKQWHXCFSB-NHCUHLMSSA-N 1 3 306.453 4.086 20 0 DIADHO CC[N@@H+]1CC[C@@H](CN[C@@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000539499530 1039272215 /nfs/dbraw/zinc/27/22/15/1039272215.db2.gz GVAXIUWQDQAHJV-YJBOKZPZSA-N 1 3 306.469 4.234 20 0 DIADHO CC[N@H+]1CC[C@@H](CN[C@@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000539499530 1039272227 /nfs/dbraw/zinc/27/22/27/1039272227.db2.gz GVAXIUWQDQAHJV-YJBOKZPZSA-N 1 3 306.469 4.234 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000539499530 1039272198 /nfs/dbraw/zinc/27/21/98/1039272198.db2.gz GVAXIUWQDQAHJV-YJBOKZPZSA-N 1 3 306.469 4.234 20 0 DIADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)CC[N@@H+]1C ZINC000539558578 1039288458 /nfs/dbraw/zinc/28/84/58/1039288458.db2.gz KOBOZIKTTJWHMK-YYAJDYIMSA-N 1 3 312.501 4.359 20 0 DIADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)CC[N@H+]1C ZINC000539558578 1039288468 /nfs/dbraw/zinc/28/84/68/1039288468.db2.gz KOBOZIKTTJWHMK-YYAJDYIMSA-N 1 3 312.501 4.359 20 0 DIADHO C[NH2+]Cc1ccccc1CNCc1ccc(C(F)(F)F)c(C)c1 ZINC000650719969 1039383525 /nfs/dbraw/zinc/38/35/25/1039383525.db2.gz AYGGHUYGZZNBFR-UHFFFAOYSA-N 1 3 322.374 4.023 20 0 DIADHO C[C@@H]1C[C@@H]1[C@H](N[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000540189084 1039441129 /nfs/dbraw/zinc/44/11/29/1039441129.db2.gz WUNXEYHDASXHFD-RUAUHYFQSA-N 1 3 320.908 4.355 20 0 DIADHO C[C@@H]1C[C@@H]1[C@H](N[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000540189084 1039441135 /nfs/dbraw/zinc/44/11/35/1039441135.db2.gz WUNXEYHDASXHFD-RUAUHYFQSA-N 1 3 320.908 4.355 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(SC)c(F)c1 ZINC000650758394 1039465168 /nfs/dbraw/zinc/46/51/68/1039465168.db2.gz OKTGYFHMQXNTKL-ZDUSSCGKSA-N 1 3 318.461 4.118 20 0 DIADHO CCCN1CC[C@@H](C[NH2+][C@@H](c2cc3ccccc3o2)C(C)C)C1 ZINC000540653103 1039535407 /nfs/dbraw/zinc/53/54/07/1039535407.db2.gz QWGOEGDTNKNSCC-OXJNMPFZSA-N 1 3 314.473 4.451 20 0 DIADHO C[C@H](CN[C@@H](C)c1cc2ccncc2s1)C[NH+]1CCCCC1 ZINC000657842186 1039688453 /nfs/dbraw/zinc/68/84/53/1039688453.db2.gz IILWEWAZITUTDM-CABCVRRESA-N 1 3 317.502 4.069 20 0 DIADHO C[C@H](C[NH2+][C@@H](C)c1cc2ccncc2s1)CN1CCCCC1 ZINC000657842186 1039688465 /nfs/dbraw/zinc/68/84/65/1039688465.db2.gz IILWEWAZITUTDM-CABCVRRESA-N 1 3 317.502 4.069 20 0 DIADHO COc1ccc([C@H]([NH2+]CC[C@@H](C)N2CCCCC2)C2CC2)cc1 ZINC000541559182 1039706518 /nfs/dbraw/zinc/70/65/18/1039706518.db2.gz XJJKNFVCGMVNHI-OXQOHEQNSA-N 1 3 316.489 4.000 20 0 DIADHO C(=C/[C@@H]1CCCCC[N@H+]1CCCN1CCCC1)\c1cccs1 ZINC000542134551 1039798828 /nfs/dbraw/zinc/79/88/28/1039798828.db2.gz RSYYTUJEYVTNSI-ZGKFYVQTSA-N 1 3 318.530 4.492 20 0 DIADHO C(=C/[C@@H]1CCCCC[N@@H+]1CCCN1CCCC1)\c1cccs1 ZINC000542134551 1039798844 /nfs/dbraw/zinc/79/88/44/1039798844.db2.gz RSYYTUJEYVTNSI-ZGKFYVQTSA-N 1 3 318.530 4.492 20 0 DIADHO CC[NH+]1CCC(N[C@H](c2ccccc2OC)C2CCCC2)CC1 ZINC000091265302 1039839379 /nfs/dbraw/zinc/83/93/79/1039839379.db2.gz TUAPWPVYMTZDJY-FQEVSTJZSA-N 1 3 316.489 4.000 20 0 DIADHO Cc1sccc1C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309737211 1040089882 /nfs/dbraw/zinc/08/98/82/1040089882.db2.gz USNRVRDYMITYPE-HNAYVOBHSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000309783854 1040092667 /nfs/dbraw/zinc/09/26/67/1040092667.db2.gz MBFPWGSTMUOCKC-VQIMIIECSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1ccsc1C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309763117 1040093540 /nfs/dbraw/zinc/09/35/40/1040093540.db2.gz FHVIPDVUWZCXHC-FUHWJXTLSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000309783848 1040094363 /nfs/dbraw/zinc/09/43/63/1040094363.db2.gz MBFPWGSTMUOCKC-APWZRJJASA-N 1 3 314.498 4.057 20 0 DIADHO C[C@@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C1(C)CC1 ZINC000309868444 1040097102 /nfs/dbraw/zinc/09/71/02/1040097102.db2.gz QEZNLJWKXUKLJW-IEBWSBKVSA-N 1 3 300.490 4.067 20 0 DIADHO CC[C@@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C1CC1 ZINC000309991085 1040102745 /nfs/dbraw/zinc/10/27/45/1040102745.db2.gz ZYAZUOOEKFOPGZ-AZUAARDMSA-N 1 3 300.490 4.067 20 0 DIADHO Cc1ccc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000062426827 1040105164 /nfs/dbraw/zinc/10/51/64/1040105164.db2.gz NRVGJKGEFVAGAK-OAQYLSRUSA-N 1 3 322.496 4.305 20 0 DIADHO Cc1ccc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000062426827 1040105184 /nfs/dbraw/zinc/10/51/84/1040105184.db2.gz NRVGJKGEFVAGAK-OAQYLSRUSA-N 1 3 322.496 4.305 20 0 DIADHO C[C@@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000309708970 1040209608 /nfs/dbraw/zinc/20/96/08/1040209608.db2.gz IPPYKABIAARNQS-VQIMIIECSA-N 1 3 314.498 4.311 20 0 DIADHO C[C@@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000309708970 1040209621 /nfs/dbraw/zinc/20/96/21/1040209621.db2.gz IPPYKABIAARNQS-VQIMIIECSA-N 1 3 314.498 4.311 20 0 DIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@]2(C)CC2(F)F)CC1 ZINC000658221345 1040364031 /nfs/dbraw/zinc/36/40/31/1040364031.db2.gz LFZDXQYEYBQSNF-QGZVFWFLSA-N 1 3 316.480 4.301 20 0 DIADHO C[C@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000309753452 1040722650 /nfs/dbraw/zinc/72/26/50/1040722650.db2.gz WMRNPDMSBCLVKI-FUHWJXTLSA-N 1 3 314.498 4.311 20 0 DIADHO C[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000309753452 1040722664 /nfs/dbraw/zinc/72/26/64/1040722664.db2.gz WMRNPDMSBCLVKI-FUHWJXTLSA-N 1 3 314.498 4.311 20 0 DIADHO COc1ccc([C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)c(C)c1 ZINC000414116242 1040885281 /nfs/dbraw/zinc/88/52/81/1040885281.db2.gz QMYWVFYXEZQFCO-MRXNPFEDSA-N 1 3 316.489 4.061 20 0 DIADHO CC1(C)[C@@H]2C[C@H]([NH+]3CCC4(CN(Cc5ccccc5)C4)CC3)C[C@@H]21 ZINC001170762929 1041862011 /nfs/dbraw/zinc/86/20/11/1041862011.db2.gz ZZUFVEKTYQITKO-ACDBMABISA-N 1 3 324.512 4.019 20 0 DIADHO Cc1cc(F)ccc1[C@@H](C)NCc1cccc(C[NH+](C)C)c1 ZINC000815556496 1041962942 /nfs/dbraw/zinc/96/29/42/1041962942.db2.gz WODJXQSQNFJOQQ-OAHLLOKOSA-N 1 3 300.421 4.047 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(F)cc2C)c1 ZINC000815576140 1041966038 /nfs/dbraw/zinc/96/60/38/1041966038.db2.gz KMYSBKZJRWMOFD-MRXNPFEDSA-N 1 3 314.448 4.437 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(F)cc2C)c1 ZINC000815576140 1041966044 /nfs/dbraw/zinc/96/60/44/1041966044.db2.gz KMYSBKZJRWMOFD-MRXNPFEDSA-N 1 3 314.448 4.437 20 0 DIADHO C[C@H](NCCCCC[NH+]1CCCCC1)c1cccnc1Cl ZINC000164621328 1042024690 /nfs/dbraw/zinc/02/46/90/1042024690.db2.gz JXMAOFXODQEXOC-HNNXBMFYSA-N 1 3 309.885 4.042 20 0 DIADHO c1ccc([C@@H]2CC[C@@H]([NH2+]C[C@@H]3CCCN(CC4CC4)C3)C2)cc1 ZINC000663344060 1042125969 /nfs/dbraw/zinc/12/59/69/1042125969.db2.gz NHZAZFMBYZZHMX-CEWLAPEOSA-N 1 3 312.501 4.034 20 0 DIADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170896766 1042146075 /nfs/dbraw/zinc/14/60/75/1042146075.db2.gz IZXIBQBFBGYLRV-DOTOQJQBSA-N 1 3 320.908 4.051 20 0 DIADHO c1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCCN(CC3CC3)C2)cc1 ZINC000663467867 1042179565 /nfs/dbraw/zinc/17/95/65/1042179565.db2.gz IIWHWGPSNWGEEJ-SESVDKBCSA-N 1 3 312.501 4.034 20 0 DIADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000319993929 1042301173 /nfs/dbraw/zinc/30/11/73/1042301173.db2.gz KTUKHLLTPLJBDH-QGZVFWFLSA-N 1 3 318.505 4.389 20 0 DIADHO Cc1cccc(C)c1-c1cccc(C[N@@H+]2CCCC[C@H]2CN)c1 ZINC001204932164 1042494960 /nfs/dbraw/zinc/49/49/60/1042494960.db2.gz HNJKDOXCLGKCQA-FQEVSTJZSA-N 1 3 308.469 4.284 20 0 DIADHO Cc1cccc(C)c1-c1cccc(C[N@H+]2CCCC[C@H]2CN)c1 ZINC001204932164 1042494963 /nfs/dbraw/zinc/49/49/63/1042494963.db2.gz HNJKDOXCLGKCQA-FQEVSTJZSA-N 1 3 308.469 4.284 20 0 DIADHO CC[N@H+](C)Cc1cccc(CNCc2cccc(C3CC3)c2)c1 ZINC000421331178 1042630602 /nfs/dbraw/zinc/63/06/02/1042630602.db2.gz ZIFUYQUZOJLBCB-UHFFFAOYSA-N 1 3 308.469 4.306 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CNCc2cccc(C3CC3)c2)c1 ZINC000421331178 1042630609 /nfs/dbraw/zinc/63/06/09/1042630609.db2.gz ZIFUYQUZOJLBCB-UHFFFAOYSA-N 1 3 308.469 4.306 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000422716975 1042689233 /nfs/dbraw/zinc/68/92/33/1042689233.db2.gz VBFYAAPKQDZXOK-BXWFABGCSA-N 1 3 303.494 4.104 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000422769027 1042689872 /nfs/dbraw/zinc/68/98/72/1042689872.db2.gz SNGIMMVRRMUPLF-OXQOHEQNSA-N 1 3 311.473 4.287 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000422770327 1042689977 /nfs/dbraw/zinc/68/99/77/1042689977.db2.gz WCKZHUYFASWIBL-HOCLYGCPSA-N 1 3 319.452 4.414 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000422770325 1042689988 /nfs/dbraw/zinc/68/99/88/1042689988.db2.gz WCKZHUYFASWIBL-GDBMZVCRSA-N 1 3 319.452 4.414 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422809925 1042690771 /nfs/dbraw/zinc/69/07/71/1042690771.db2.gz MRMGOALHZYWAFB-MRXNPFEDSA-N 1 3 323.484 4.011 20 0 DIADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CCCC[C@H]2C(F)(F)F)c2ccccc21 ZINC000422819975 1042691028 /nfs/dbraw/zinc/69/10/28/1042691028.db2.gz OQJHQFXRAXGMIY-SRMUXQRQSA-N 1 3 312.379 4.090 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)C1=CCCCC1 ZINC000423049624 1042696825 /nfs/dbraw/zinc/69/68/25/1042696825.db2.gz KAJUCFYILJFPFJ-CQSZACIVSA-N 1 3 301.478 4.026 20 0 DIADHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423077783 1042697159 /nfs/dbraw/zinc/69/71/59/1042697159.db2.gz UNMGYLMQIYDWLK-GVDBMIGSSA-N 1 3 312.457 4.042 20 0 DIADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CC[C@H](c3ccccc3F)C2)c2ccccc21 ZINC000423093989 1042697913 /nfs/dbraw/zinc/69/79/13/1042697913.db2.gz IVGGVCKRELVMOD-SMHQJORMSA-N 1 3 310.416 4.196 20 0 DIADHO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423280875 1042703352 /nfs/dbraw/zinc/70/33/52/1042703352.db2.gz TTZLXLLOXKOKSO-VJTDZRGJSA-N 1 3 312.910 4.001 20 0 DIADHO Cc1cc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc(C)c1F ZINC000423293274 1042705014 /nfs/dbraw/zinc/70/50/14/1042705014.db2.gz QQGBADANAYUDOT-LSDHHAIUSA-N 1 3 300.421 4.313 20 0 DIADHO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC[C@H](C)C[NH3+] ZINC000423294246 1042705892 /nfs/dbraw/zinc/70/58/92/1042705892.db2.gz BMXJFFFQPBPGQE-GHMZBOCLSA-N 1 3 323.893 4.017 20 0 DIADHO Cc1ccc2c(c1)[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)CCCO2 ZINC000423294716 1042706178 /nfs/dbraw/zinc/70/61/78/1042706178.db2.gz UZUJKXXAAHQIMA-BEFAXECRSA-N 1 3 310.441 4.018 20 0 DIADHO CSc1ccccc1[C@H](C)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423294509 1042706322 /nfs/dbraw/zinc/70/63/22/1042706322.db2.gz UOFLNHHDHPBNGU-KBPBESRZSA-N 1 3 300.471 4.279 20 0 DIADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(C(F)(F)F)cc1 ZINC000423369505 1042708247 /nfs/dbraw/zinc/70/82/47/1042708247.db2.gz DYJUUTRANMIMIN-GFCCVEGCSA-N 1 3 320.358 4.159 20 0 DIADHO CCOc1ccccc1[C@@H](C)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423497244 1042716257 /nfs/dbraw/zinc/71/62/57/1042716257.db2.gz GHAKXULTJFTWHK-APWZRJJASA-N 1 3 312.457 4.216 20 0 DIADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc2ccccc2n1 ZINC000423497831 1042716416 /nfs/dbraw/zinc/71/64/16/1042716416.db2.gz HKAILUINJPTXAU-OXQOHEQNSA-N 1 3 319.452 4.366 20 0 DIADHO COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424379870 1042738970 /nfs/dbraw/zinc/73/89/70/1042738970.db2.gz VYQCXARILJSMGT-CWFSZBLJSA-N 1 3 324.468 4.283 20 0 DIADHO CC(C)N1CC[C@@H](C[NH2+]C2CCC(C)(c3ccccc3)CC2)C1 ZINC000514692807 1042787579 /nfs/dbraw/zinc/78/75/79/1042787579.db2.gz FHFZPBJVWVXEKJ-PELRDEGISA-N 1 3 314.517 4.207 20 0 DIADHO Cc1ccc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1C ZINC000383347301 1042985312 /nfs/dbraw/zinc/98/53/12/1042985312.db2.gz NBQFALHSERBTHR-JOCHJYFZSA-N 1 3 322.496 4.305 20 0 DIADHO Cc1ccc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000383347301 1042985316 /nfs/dbraw/zinc/98/53/16/1042985316.db2.gz NBQFALHSERBTHR-JOCHJYFZSA-N 1 3 322.496 4.305 20 0 DIADHO Cc1ccc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000383399539 1042988437 /nfs/dbraw/zinc/98/84/37/1042988437.db2.gz NRVGJKGEFVAGAK-NRFANRHFSA-N 1 3 322.496 4.305 20 0 DIADHO Cc1ccc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000383399539 1042988440 /nfs/dbraw/zinc/98/84/40/1042988440.db2.gz NRVGJKGEFVAGAK-NRFANRHFSA-N 1 3 322.496 4.305 20 0 DIADHO C[C@@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccncc1 ZINC000174017147 1043059135 /nfs/dbraw/zinc/05/91/35/1043059135.db2.gz QJFUMPIXMVHCEQ-GOSISDBHSA-N 1 3 323.484 4.308 20 0 DIADHO c1cc2cccc3c2c(c1)CC[C@H]3N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000866236814 1043163620 /nfs/dbraw/zinc/16/36/20/1043163620.db2.gz FJBAOKDZGAXUEM-WSTZPKSXSA-N 1 3 306.453 4.044 20 0 DIADHO c1cc2cccc3c2c(c1)CC[C@H]3N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000866236814 1043163628 /nfs/dbraw/zinc/16/36/28/1043163628.db2.gz FJBAOKDZGAXUEM-WSTZPKSXSA-N 1 3 306.453 4.044 20 0 DIADHO c1cc2cccc3c2c(c1)CC[C@H]3N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000866236796 1043164354 /nfs/dbraw/zinc/16/43/54/1043164354.db2.gz FJBAOKDZGAXUEM-CMKODMSKSA-N 1 3 306.453 4.044 20 0 DIADHO c1cc2cccc3c2c(c1)CC[C@H]3N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000866236796 1043164357 /nfs/dbraw/zinc/16/43/57/1043164357.db2.gz FJBAOKDZGAXUEM-CMKODMSKSA-N 1 3 306.453 4.044 20 0 DIADHO Cc1cncc([C@@H](C)NCc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000184322594 1043183383 /nfs/dbraw/zinc/18/33/83/1043183383.db2.gz WSOSCOSJJJVAKT-QGZVFWFLSA-N 1 3 311.473 4.081 20 0 DIADHO Cc1cncc([C@@H](C)NCc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000184322594 1043183387 /nfs/dbraw/zinc/18/33/87/1043183387.db2.gz WSOSCOSJJJVAKT-QGZVFWFLSA-N 1 3 311.473 4.081 20 0 DIADHO Cc1cc2c(cc1C)[C@@H]([NH2+]CC(C)(C)CN(C)C)CCS2 ZINC000427593881 1043212317 /nfs/dbraw/zinc/21/23/17/1043212317.db2.gz WAGFBLIJGURUNY-INIZCTEOSA-N 1 3 306.519 4.018 20 0 DIADHO CCC[N@@H+]1CC[C@@H](CN[C@H](c2ccc(C)cc2)C2CCC2)C1 ZINC000427610539 1043243428 /nfs/dbraw/zinc/24/34/28/1043243428.db2.gz VHSPOAGBURPGIW-PXNSSMCTSA-N 1 3 300.490 4.158 20 0 DIADHO CCC[N@H+]1CC[C@@H](CN[C@H](c2ccc(C)cc2)C2CCC2)C1 ZINC000427610539 1043243441 /nfs/dbraw/zinc/24/34/41/1043243441.db2.gz VHSPOAGBURPGIW-PXNSSMCTSA-N 1 3 300.490 4.158 20 0 DIADHO CCCN1CC[C@@H](C[NH2+][C@H](c2ccc(C)cc2)C2CCC2)C1 ZINC000427610539 1043243450 /nfs/dbraw/zinc/24/34/50/1043243450.db2.gz VHSPOAGBURPGIW-PXNSSMCTSA-N 1 3 300.490 4.158 20 0 DIADHO CC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccncc1 ZINC000268937003 1043344933 /nfs/dbraw/zinc/34/49/33/1043344933.db2.gz YYDPBEATZDFNQU-WMQCIHAUSA-N 1 3 323.484 4.175 20 0 DIADHO CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccncc1 ZINC000268937003 1043344941 /nfs/dbraw/zinc/34/49/41/1043344941.db2.gz YYDPBEATZDFNQU-WMQCIHAUSA-N 1 3 323.484 4.175 20 0 DIADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2cnccc2C)c1 ZINC000271351947 1043411552 /nfs/dbraw/zinc/41/15/52/1043411552.db2.gz DLIJSFIYSNYWRK-QGZVFWFLSA-N 1 3 311.473 4.083 20 0 DIADHO CCCCN1CCC([NH2+][C@H](C)c2ccccc2SC)CC1 ZINC000442786186 1043418831 /nfs/dbraw/zinc/41/88/31/1043418831.db2.gz SSVKIWGYIYAXKF-OAHLLOKOSA-N 1 3 306.519 4.324 20 0 DIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2cnccc2C)cc1 ZINC000271537089 1043434345 /nfs/dbraw/zinc/43/43/45/1043434345.db2.gz YGYGYUGBFBKMMA-KRWDZBQOSA-N 1 3 311.473 4.083 20 0 DIADHO CCC[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(Cl)cc1 ZINC000925780556 1043471681 /nfs/dbraw/zinc/47/16/81/1043471681.db2.gz SYLMNBIMUVTMCR-UKRRQHHQSA-N 1 3 316.823 4.016 20 0 DIADHO CC(C)C[C@@H](C[NH2+]C[C@H]1CCN(C(C)C)C1)c1ccccc1 ZINC000558419432 1043505139 /nfs/dbraw/zinc/50/51/39/1043505139.db2.gz WNGFWBSGQKOWMW-QUCCMNQESA-N 1 3 302.506 4.136 20 0 DIADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cc(Cl)cc(Cl)c1)C2 ZINC000558417492 1043507134 /nfs/dbraw/zinc/50/71/34/1043507134.db2.gz CGAQEYJHOHFFJL-XYPWUTKMSA-N 1 3 313.272 4.050 20 0 DIADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cc(Cl)cc(Cl)c1)C2 ZINC000558417492 1043507145 /nfs/dbraw/zinc/50/71/45/1043507145.db2.gz CGAQEYJHOHFFJL-XYPWUTKMSA-N 1 3 313.272 4.050 20 0 DIADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1csc2ccccc12 ZINC000926542201 1043597403 /nfs/dbraw/zinc/59/74/03/1043597403.db2.gz PYONKXMXBBUKPE-AVOUXACISA-N 1 3 300.471 4.177 20 0 DIADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1csc2ccccc12 ZINC000926542201 1043597411 /nfs/dbraw/zinc/59/74/11/1043597411.db2.gz PYONKXMXBBUKPE-AVOUXACISA-N 1 3 300.471 4.177 20 0 DIADHO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)o1 ZINC000353536431 1043616773 /nfs/dbraw/zinc/61/67/73/1043616773.db2.gz XLXZMZMXVMNECB-OAQYLSRUSA-N 1 3 324.468 4.076 20 0 DIADHO Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)o1 ZINC000353536431 1043616782 /nfs/dbraw/zinc/61/67/82/1043616782.db2.gz XLXZMZMXVMNECB-OAQYLSRUSA-N 1 3 324.468 4.076 20 0 DIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(-c3ccncc3)c2)C[C@H]1C ZINC000353747877 1043638827 /nfs/dbraw/zinc/63/88/27/1043638827.db2.gz QOYRTRNHFNCTHR-DYESRHJHSA-N 1 3 323.484 4.053 20 0 DIADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(-c3ccncc3)c2)C[C@H]1C ZINC000353747877 1043638831 /nfs/dbraw/zinc/63/88/31/1043638831.db2.gz QOYRTRNHFNCTHR-DYESRHJHSA-N 1 3 323.484 4.053 20 0 DIADHO C[C@H](NC1CCC(C)([NH+]2CCC2)CC1)c1cccc(F)c1F ZINC000927039468 1043671989 /nfs/dbraw/zinc/67/19/89/1043671989.db2.gz SWBCQZSUOJXZJA-VNSJNIRKSA-N 1 3 308.416 4.022 20 0 DIADHO CN(C)CC1(C[NH2+][C@@H]2CCSc3ccc(F)cc32)CCCC1 ZINC000355057822 1043741813 /nfs/dbraw/zinc/74/18/13/1043741813.db2.gz FPUBFNXWCGOSCR-MRXNPFEDSA-N 1 3 322.493 4.074 20 0 DIADHO CN(C)CC1(C[NH2+][C@H]2CCSc3ccc(F)cc32)CCCC1 ZINC000355057818 1043742842 /nfs/dbraw/zinc/74/28/42/1043742842.db2.gz FPUBFNXWCGOSCR-INIZCTEOSA-N 1 3 322.493 4.074 20 0 DIADHO COCCCC[C@@H](NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000355310077 1043760598 /nfs/dbraw/zinc/76/05/98/1043760598.db2.gz HILZHIGICGHBQM-HXUWFJFHSA-N 1 3 318.505 4.007 20 0 DIADHO CC[N@H+](CCC1CCN(Cc2cnc(C)s2)CC1)CC(C)C ZINC000358733063 1044097782 /nfs/dbraw/zinc/09/77/82/1044097782.db2.gz AECCIGLWDVNLJK-UHFFFAOYSA-N 1 3 323.550 4.032 20 0 DIADHO CC[N@@H+](CCC1CCN(Cc2cnc(C)s2)CC1)CC(C)C ZINC000358733063 1044097795 /nfs/dbraw/zinc/09/77/95/1044097795.db2.gz AECCIGLWDVNLJK-UHFFFAOYSA-N 1 3 323.550 4.032 20 0 DIADHO CN1CCC2(CCC[N@@H+]2[C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000475133916 1044284190 /nfs/dbraw/zinc/28/41/90/1044284190.db2.gz ZAOUGMQZBWHCLF-WOJBJXKFSA-N 1 3 312.501 4.057 20 0 DIADHO CN1CCC2(CCC[N@H+]2[C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000475133916 1044284205 /nfs/dbraw/zinc/28/42/05/1044284205.db2.gz ZAOUGMQZBWHCLF-WOJBJXKFSA-N 1 3 312.501 4.057 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H](c2cccnc2)C2CCC2)c1 ZINC000360840030 1044317154 /nfs/dbraw/zinc/31/71/54/1044317154.db2.gz KOINENWYWAJVQA-NRFANRHFSA-N 1 3 323.484 4.164 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](c2cccnc2)C2CCC2)c1 ZINC000360840030 1044317165 /nfs/dbraw/zinc/31/71/65/1044317165.db2.gz KOINENWYWAJVQA-NRFANRHFSA-N 1 3 323.484 4.164 20 0 DIADHO C[C@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cccnc1 ZINC000112537462 1044443193 /nfs/dbraw/zinc/44/31/93/1044443193.db2.gz MHYCJYHPXAOZRC-SFHVURJKSA-N 1 3 323.484 4.308 20 0 DIADHO C[C@H](NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cccnc1 ZINC000112527834 1044443428 /nfs/dbraw/zinc/44/34/28/1044443428.db2.gz VGCXFVPZZFQMLI-ROUUACIJSA-N 1 3 323.484 4.307 20 0 DIADHO C[C@H](NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cccnc1 ZINC000112527834 1044443437 /nfs/dbraw/zinc/44/34/37/1044443437.db2.gz VGCXFVPZZFQMLI-ROUUACIJSA-N 1 3 323.484 4.307 20 0 DIADHO Cc1cscc1C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000565744574 1044454375 /nfs/dbraw/zinc/45/43/75/1044454375.db2.gz WYHLGICAXSCJCJ-AEFFLSMTSA-N 1 3 314.498 4.057 20 0 DIADHO c1ccc(-c2ccc(C[NH2+]C3CC(N4CCCCC4)C3)cc2)cc1 ZINC000475548068 1044492926 /nfs/dbraw/zinc/49/29/26/1044492926.db2.gz AGKPSCGJKFFOTK-UHFFFAOYSA-N 1 3 320.480 4.460 20 0 DIADHO CC(C)Oc1cccc([C@H](C)[NH2+]CCCN2CCCCC2)c1 ZINC000444616743 1044577813 /nfs/dbraw/zinc/57/78/13/1044577813.db2.gz DRZUIEXPJAVVAJ-KRWDZBQOSA-N 1 3 304.478 4.000 20 0 DIADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000567966219 1044594384 /nfs/dbraw/zinc/59/43/84/1044594384.db2.gz VAAXMJSJRFJESL-QVOMUQBLSA-N 1 3 320.443 4.064 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2CCc2ccccc2)C1 ZINC000568140567 1044606338 /nfs/dbraw/zinc/60/63/38/1044606338.db2.gz PLUMYDNNCZCHLX-QHAWAJNXSA-N 1 3 314.517 4.108 20 0 DIADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)c2ccccc21 ZINC000296530987 1044625300 /nfs/dbraw/zinc/62/53/00/1044625300.db2.gz QLAANUJPYBVRQG-HNSVSWJLSA-N 1 3 312.432 4.255 20 0 DIADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)c2ccccc21 ZINC000296530987 1044625310 /nfs/dbraw/zinc/62/53/10/1044625310.db2.gz QLAANUJPYBVRQG-HNSVSWJLSA-N 1 3 312.432 4.255 20 0 DIADHO Cc1ccc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000568524052 1044631712 /nfs/dbraw/zinc/63/17/12/1044631712.db2.gz PTEOVRIGOPEVHR-UGKGYDQZSA-N 1 3 322.496 4.480 20 0 DIADHO Cc1ccc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000568524052 1044631719 /nfs/dbraw/zinc/63/17/19/1044631719.db2.gz PTEOVRIGOPEVHR-UGKGYDQZSA-N 1 3 322.496 4.480 20 0 DIADHO CC[C@H](c1ccc(F)cc1F)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000523442177 1044638300 /nfs/dbraw/zinc/63/83/00/1044638300.db2.gz ONOZKYGOYFXDGF-LJQANCHMSA-N 1 3 324.459 4.468 20 0 DIADHO CC[C@H](c1ccc(F)cc1F)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000523442177 1044638308 /nfs/dbraw/zinc/63/83/08/1044638308.db2.gz ONOZKYGOYFXDGF-LJQANCHMSA-N 1 3 324.459 4.468 20 0 DIADHO CC(C)[C@@H]1C[C@H](NC2CC[NH+](C(C)C)CC2)c2ccccc21 ZINC000568948237 1044663368 /nfs/dbraw/zinc/66/33/68/1044663368.db2.gz BQGPUMZKRBSUJW-PMACEKPBSA-N 1 3 300.490 4.333 20 0 DIADHO CC1=C[C@H](C)C[C@H](C[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC000570764252 1044781003 /nfs/dbraw/zinc/78/10/03/1044781003.db2.gz FUUOQKUUVOMZCO-WZGPROSRSA-N 1 3 304.522 4.221 20 0 DIADHO Cc1cc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)c(C)s1 ZINC000123600596 1044786103 /nfs/dbraw/zinc/78/61/03/1044786103.db2.gz MXVGZXLXQFBTCE-CQSZACIVSA-N 1 3 302.487 4.277 20 0 DIADHO CCCCOc1ccc([C@@H](C)NC2CC[NH+](CC)CC2)cc1 ZINC000575337126 1044995018 /nfs/dbraw/zinc/99/50/18/1044995018.db2.gz BULSITBGTYTLND-MRXNPFEDSA-N 1 3 304.478 4.000 20 0 DIADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2cc3ccccc3s2)C1 ZINC000446745820 1045029209 /nfs/dbraw/zinc/02/92/09/1045029209.db2.gz QODODCCLVLIPED-LSDHHAIUSA-N 1 3 302.487 4.284 20 0 DIADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2cc3ccccc3s2)C1 ZINC000446745820 1045029222 /nfs/dbraw/zinc/02/92/22/1045029222.db2.gz QODODCCLVLIPED-LSDHHAIUSA-N 1 3 302.487 4.284 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2cc3ccccc3s2)C1 ZINC000446745820 1045029231 /nfs/dbraw/zinc/02/92/31/1045029231.db2.gz QODODCCLVLIPED-LSDHHAIUSA-N 1 3 302.487 4.284 20 0 DIADHO C[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccnc1Cl ZINC000158572183 1045040705 /nfs/dbraw/zinc/04/07/05/1045040705.db2.gz HUJPGXWVINHVOE-XHSDSOJGSA-N 1 3 323.912 4.144 20 0 DIADHO C[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccnc1Cl ZINC000158572183 1045040715 /nfs/dbraw/zinc/04/07/15/1045040715.db2.gz HUJPGXWVINHVOE-XHSDSOJGSA-N 1 3 323.912 4.144 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1cc2ccccc2s1 ZINC000446938536 1045073608 /nfs/dbraw/zinc/07/36/08/1045073608.db2.gz WUBYVEHCFLZYLW-NUEKZKHPSA-N 1 3 302.487 4.425 20 0 DIADHO C[C@H](CCN1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000447726447 1045167485 /nfs/dbraw/zinc/16/74/85/1045167485.db2.gz FUXOEBRQHQBPMG-QUCCMNQESA-N 1 3 300.490 4.131 20 0 DIADHO C[C@@H](CCN1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000447726445 1045167729 /nfs/dbraw/zinc/16/77/29/1045167729.db2.gz FUXOEBRQHQBPMG-AZUAARDMSA-N 1 3 300.490 4.131 20 0 DIADHO CSc1ccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924771415 1045198058 /nfs/dbraw/zinc/19/80/58/1045198058.db2.gz YDAFGTYIRCVVNR-HNNXBMFYSA-N 1 3 314.498 4.321 20 0 DIADHO Cc1cc(CNCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)ccn1 ZINC000527639081 1045242753 /nfs/dbraw/zinc/24/27/53/1045242753.db2.gz AZMOXPSZJAETJG-SFHVURJKSA-N 1 3 323.484 4.054 20 0 DIADHO Cc1cc(CNCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)ccn1 ZINC000527639081 1045242762 /nfs/dbraw/zinc/24/27/62/1045242762.db2.gz AZMOXPSZJAETJG-SFHVURJKSA-N 1 3 323.484 4.054 20 0 DIADHO [NH3+]Cc1ccc(CN[C@H]2CCSc3c(Cl)cccc32)cc1 ZINC000579593301 1045324155 /nfs/dbraw/zinc/32/41/55/1045324155.db2.gz ATVMWKRLJPHUTA-INIZCTEOSA-N 1 3 318.873 4.125 20 0 DIADHO Cc1ccccc1-c1ccccc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000449072686 1045344404 /nfs/dbraw/zinc/34/44/04/1045344404.db2.gz GGMVMRQIGJAAMX-GOSISDBHSA-N 1 3 320.480 4.236 20 0 DIADHO Cc1cc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)cs1 ZINC000449106629 1045347237 /nfs/dbraw/zinc/34/72/37/1045347237.db2.gz MXWGHDKRCPPTCS-OAHLLOKOSA-N 1 3 320.527 4.120 20 0 DIADHO Cc1cc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cs1 ZINC000449106629 1045347243 /nfs/dbraw/zinc/34/72/43/1045347243.db2.gz MXWGHDKRCPPTCS-OAHLLOKOSA-N 1 3 320.527 4.120 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)Cc2coc3ccccc23)C1 ZINC000449129631 1045350223 /nfs/dbraw/zinc/35/02/23/1045350223.db2.gz DABVCRFRUPCUBS-IAGOWNOFSA-N 1 3 314.473 4.074 20 0 DIADHO C[C@@H]1CSC[C@@H]1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449323067 1045375146 /nfs/dbraw/zinc/37/51/46/1045375146.db2.gz RLZFHMBRKDWZMJ-ZBFHGGJFSA-N 1 3 312.567 4.007 20 0 DIADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2CCCC2(F)F)CC1 ZINC000449499645 1045403262 /nfs/dbraw/zinc/40/32/62/1045403262.db2.gz UCDGXQBOUFSQJF-BFYDXBDKSA-N 1 3 314.464 4.055 20 0 DIADHO C[C@@H]1C[C@@H]1c1ccc(CNC2CCC([NH+]3CCCCC3)CC2)o1 ZINC000751148574 1045585389 /nfs/dbraw/zinc/58/53/89/1045585389.db2.gz XALOAUQZSCDZRN-JIZBTBOESA-N 1 3 316.489 4.290 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCCc2ncccc21 ZINC000631568116 1045870699 /nfs/dbraw/zinc/87/06/99/1045870699.db2.gz QHODODHAAFQUPQ-OAQYLSRUSA-N 1 3 323.484 4.091 20 0 DIADHO C[NH+](C)Cc1cccc(CN[C@H]2CCc3c2cccc3Cl)c1 ZINC000531688351 1045892818 /nfs/dbraw/zinc/89/28/18/1045892818.db2.gz NXHJFDXDGGCWFH-IBGZPJMESA-N 1 3 314.860 4.179 20 0 DIADHO C[C@H](CCc1ccco1)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000531692498 1045894146 /nfs/dbraw/zinc/89/41/46/1045894146.db2.gz FCTHHKFDYIACLU-MBOZVWFJSA-N 1 3 318.505 4.233 20 0 DIADHO CC[C@H](NCc1ccccc1C[N@H+](C)C(C)C)c1ccncc1 ZINC000453065878 1045916033 /nfs/dbraw/zinc/91/60/33/1045916033.db2.gz VTVKFLJZRSIBJT-FQEVSTJZSA-N 1 3 311.473 4.163 20 0 DIADHO CC[C@H](NCc1ccccc1C[N@@H+](C)C(C)C)c1ccncc1 ZINC000453065878 1045916040 /nfs/dbraw/zinc/91/60/40/1045916040.db2.gz VTVKFLJZRSIBJT-FQEVSTJZSA-N 1 3 311.473 4.163 20 0 DIADHO CC[C@H](NCc1cccc(C[N@H+](C)C(C)C)c1)c1ccncc1 ZINC000453076043 1045927775 /nfs/dbraw/zinc/92/77/75/1045927775.db2.gz DPUHXGLENAUHSD-FQEVSTJZSA-N 1 3 311.473 4.163 20 0 DIADHO CC[C@H](NCc1cccc(C[N@@H+](C)C(C)C)c1)c1ccncc1 ZINC000453076043 1045927782 /nfs/dbraw/zinc/92/77/82/1045927782.db2.gz DPUHXGLENAUHSD-FQEVSTJZSA-N 1 3 311.473 4.163 20 0 DIADHO CC[C@@H](NCc1ccc(C[NH+](CC)CC)cc1)c1ccncc1 ZINC000453080800 1045928060 /nfs/dbraw/zinc/92/80/60/1045928060.db2.gz KIPZEJRNVXZCIK-HXUWFJFHSA-N 1 3 311.473 4.164 20 0 DIADHO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-c2cccnc2)cc1 ZINC000902333183 1045978757 /nfs/dbraw/zinc/97/87/57/1045978757.db2.gz HUNUBESLEKHTJU-JXFKEZNVSA-N 1 3 323.484 4.177 20 0 DIADHO CCSc1ccccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000453377774 1046073630 /nfs/dbraw/zinc/07/36/30/1046073630.db2.gz ZANYFZRSKZAPTP-WZYMTQMTSA-N 1 3 304.503 4.074 20 0 DIADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(C(F)(F)F)s1 ZINC000903069630 1046155408 /nfs/dbraw/zinc/15/54/08/1046155408.db2.gz IPVYBLVPJGBSGD-NWDGAFQWSA-N 1 3 320.424 4.149 20 0 DIADHO c1csc(CN[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638280806 1046308381 /nfs/dbraw/zinc/30/83/81/1046308381.db2.gz KIZAJAOBJHHQQV-QFBILLFUSA-N 1 3 312.482 4.206 20 0 DIADHO c1csc(CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638280806 1046308397 /nfs/dbraw/zinc/30/83/97/1046308397.db2.gz KIZAJAOBJHHQQV-QFBILLFUSA-N 1 3 312.482 4.206 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2o1 ZINC001139064439 1046372643 /nfs/dbraw/zinc/37/26/43/1046372643.db2.gz BCZADGLSKFUPTC-ROUUACIJSA-N 1 3 312.457 4.272 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2o1 ZINC001139064439 1046372655 /nfs/dbraw/zinc/37/26/55/1046372655.db2.gz BCZADGLSKFUPTC-ROUUACIJSA-N 1 3 312.457 4.272 20 0 DIADHO Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781428091 1046444727 /nfs/dbraw/zinc/44/47/27/1046444727.db2.gz ZNLIGNIKFJYZRA-CDXJDZJCSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781428091 1046444730 /nfs/dbraw/zinc/44/47/30/1046444730.db2.gz ZNLIGNIKFJYZRA-CDXJDZJCSA-N 1 3 312.501 4.225 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCCOc3ccccc32)c1 ZINC000123957873 1046451455 /nfs/dbraw/zinc/45/14/55/1046451455.db2.gz ZIVKXAHWPNVZOT-FQEVSTJZSA-N 1 3 324.468 4.142 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCCOc3ccccc32)c1 ZINC000123957873 1046451463 /nfs/dbraw/zinc/45/14/63/1046451463.db2.gz ZIVKXAHWPNVZOT-FQEVSTJZSA-N 1 3 324.468 4.142 20 0 DIADHO Cc1cccc([C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C(C)(C)C)c1 ZINC000677240731 1046477250 /nfs/dbraw/zinc/47/72/50/1046477250.db2.gz JDCLZKVMQXDUBH-QYZOEREBSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1cccc([C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C(C)(C)C)c1 ZINC000677240731 1046477254 /nfs/dbraw/zinc/47/72/54/1046477254.db2.gz JDCLZKVMQXDUBH-QYZOEREBSA-N 1 3 300.490 4.299 20 0 DIADHO c1ccc(-c2cccc(CCN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)cc1 ZINC000677239873 1046477274 /nfs/dbraw/zinc/47/72/74/1046477274.db2.gz NKUAGEGYBRNWMX-YADHBBJMSA-N 1 3 320.480 4.113 20 0 DIADHO c1ccc(-c2cccc(CCN[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)cc1 ZINC000677239873 1046477277 /nfs/dbraw/zinc/47/72/77/1046477277.db2.gz NKUAGEGYBRNWMX-YADHBBJMSA-N 1 3 320.480 4.113 20 0 DIADHO CCSc1ccccc1CN(C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206606090 1046490145 /nfs/dbraw/zinc/49/01/45/1046490145.db2.gz CUGUFZXVRCWCRW-QGZVFWFLSA-N 1 3 306.519 4.151 20 0 DIADHO CC[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc2cc(OC)ccc2c1 ZINC000643521426 1046669199 /nfs/dbraw/zinc/66/91/99/1046669199.db2.gz HSXPREOZOKMXJD-AZUAARDMSA-N 1 3 312.457 4.031 20 0 DIADHO C[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc(-c2ccccc2)s1 ZINC000643522861 1046671825 /nfs/dbraw/zinc/67/18/25/1046671825.db2.gz TVFSTYROCXOJDC-HOCLYGCPSA-N 1 3 300.471 4.208 20 0 DIADHO CC(C)[C@@H](CSc1ccccc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548516 1046673364 /nfs/dbraw/zinc/67/33/64/1046673364.db2.gz QIPBKSDKYZNAFL-FUHWJXTLSA-N 1 3 318.530 4.068 20 0 DIADHO CC(C)[C@@H](CSc1ccccc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548516 1046673370 /nfs/dbraw/zinc/67/33/70/1046673370.db2.gz QIPBKSDKYZNAFL-FUHWJXTLSA-N 1 3 318.530 4.068 20 0 DIADHO Cc1cc(C)c([C@@H](C)N2CC[C@@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000533425948 1046721531 /nfs/dbraw/zinc/72/15/31/1046721531.db2.gz ULILGJMEJOZVMI-MOPGFXCFSA-N 1 3 300.490 4.091 20 0 DIADHO Cc1cc(C)c([C@@H](C)[N@@H+]2CC[C@@H](CN3CCCC3)C2)c(C)c1 ZINC000533425948 1046721546 /nfs/dbraw/zinc/72/15/46/1046721546.db2.gz ULILGJMEJOZVMI-MOPGFXCFSA-N 1 3 300.490 4.091 20 0 DIADHO Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@@H](CN3CCCC3)C2)c(C)c1 ZINC000533425948 1046721561 /nfs/dbraw/zinc/72/15/61/1046721561.db2.gz ULILGJMEJOZVMI-MOPGFXCFSA-N 1 3 300.490 4.091 20 0 DIADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNCc2ccc(O)cc2)cc1 ZINC000679392644 1046836209 /nfs/dbraw/zinc/83/62/09/1046836209.db2.gz DDBOFYLUMCGBMT-KRWDZBQOSA-N 1 3 324.468 4.056 20 0 DIADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNCc2ccc(O)cc2)cc1 ZINC000679392644 1046836232 /nfs/dbraw/zinc/83/62/32/1046836232.db2.gz DDBOFYLUMCGBMT-KRWDZBQOSA-N 1 3 324.468 4.056 20 0 DIADHO CCCN1CCC([NH2+]Cc2ccccc2Oc2ccccc2)CC1 ZINC000679468860 1046844646 /nfs/dbraw/zinc/84/46/46/1046844646.db2.gz RZIIAVOVZWHIPZ-UHFFFAOYSA-N 1 3 324.468 4.443 20 0 DIADHO C[C@@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)c1ccncc1 ZINC000290017032 1046871388 /nfs/dbraw/zinc/87/13/88/1046871388.db2.gz CAQRHZPCIVKQNP-UYAOXDASSA-N 1 3 323.484 4.035 20 0 DIADHO CC(C)c1ccc([C@@H]([NH3+])CNCc2cccc3cnccc32)cc1 ZINC000666785653 1046876863 /nfs/dbraw/zinc/87/68/63/1046876863.db2.gz RZPPBYJMKUXSQS-NRFANRHFSA-N 1 3 319.452 4.148 20 0 DIADHO Cc1ccc([C@H](C)C[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000152021253 1046903924 /nfs/dbraw/zinc/90/39/24/1046903924.db2.gz PAGDXGPFFZTZME-QGZVFWFLSA-N 1 3 300.490 4.095 20 0 DIADHO Cc1ccc(CN(C)CC2CC[NH+](C(C)C)CC2)c(Cl)c1 ZINC001140798799 1046904458 /nfs/dbraw/zinc/90/44/58/1046904458.db2.gz VESKTZBNQGMYNY-UHFFFAOYSA-N 1 3 308.897 4.201 20 0 DIADHO CC(C)C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccncc1 ZINC000647291140 1046968167 /nfs/dbraw/zinc/96/81/67/1046968167.db2.gz GYYAHWRUGYBZIW-HXUWFJFHSA-N 1 3 315.505 4.165 20 0 DIADHO C[C@@H]1SCC[C@H]1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000647361553 1046992726 /nfs/dbraw/zinc/99/27/26/1046992726.db2.gz KYLSKGHOKBSAQD-GOEBONIOSA-N 1 3 312.567 4.149 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2ccc(Cl)c(C)c2)CC1 ZINC001141237638 1047059212 /nfs/dbraw/zinc/05/92/12/1047059212.db2.gz VEFXXGJZJMPTBJ-UHFFFAOYSA-N 1 3 308.897 4.345 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2ccc(Cl)c(C)c2)CC1 ZINC001141237638 1047059225 /nfs/dbraw/zinc/05/92/25/1047059225.db2.gz VEFXXGJZJMPTBJ-UHFFFAOYSA-N 1 3 308.897 4.345 20 0 DIADHO Cc1ccc(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)o1 ZINC000536667937 1047060376 /nfs/dbraw/zinc/06/03/76/1047060376.db2.gz SFUGYMFKWGFTGQ-MRXNPFEDSA-N 1 3 304.478 4.065 20 0 DIADHO Cc1ccc(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)o1 ZINC000536667937 1047060386 /nfs/dbraw/zinc/06/03/86/1047060386.db2.gz SFUGYMFKWGFTGQ-MRXNPFEDSA-N 1 3 304.478 4.065 20 0 DIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000379640715 1047092645 /nfs/dbraw/zinc/09/26/45/1047092645.db2.gz CCJVSHSZFWCPOF-LQWHRVPQSA-N 1 3 308.469 4.390 20 0 DIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000379640715 1047092659 /nfs/dbraw/zinc/09/26/59/1047092659.db2.gz CCJVSHSZFWCPOF-LQWHRVPQSA-N 1 3 308.469 4.390 20 0 DIADHO C[C@@H]1C[C@@H](NC/C=C/c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379657679 1047096460 /nfs/dbraw/zinc/09/64/60/1047096460.db2.gz UJABLMIHCPDBHJ-RMFZZGRPSA-N 1 3 320.480 4.343 20 0 DIADHO C[C@@H]1C[C@@H](NC/C=C/c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379657679 1047096474 /nfs/dbraw/zinc/09/64/74/1047096474.db2.gz UJABLMIHCPDBHJ-RMFZZGRPSA-N 1 3 320.480 4.343 20 0 DIADHO CC[N@@H+]1CCC[C@H](CN[C@H]2CCCc3c(Cl)cccc32)C1 ZINC001116565042 1047156601 /nfs/dbraw/zinc/15/66/01/1047156601.db2.gz FXPOJBISSBAVGV-KDOFPFPSSA-N 1 3 306.881 4.039 20 0 DIADHO CC[N@H+]1CCC[C@H](CN[C@H]2CCCc3c(Cl)cccc32)C1 ZINC001116565042 1047156611 /nfs/dbraw/zinc/15/66/11/1047156611.db2.gz FXPOJBISSBAVGV-KDOFPFPSSA-N 1 3 306.881 4.039 20 0 DIADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(C(F)(F)F)cc1 ZINC000682649210 1047210743 /nfs/dbraw/zinc/21/07/43/1047210743.db2.gz GJBDPBMBFWBLCL-BBRMVZONSA-N 1 3 314.395 4.230 20 0 DIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC001118060316 1047256288 /nfs/dbraw/zinc/25/62/88/1047256288.db2.gz YMNTURUNOHAMNX-QWRGUYRKSA-N 1 3 321.827 4.053 20 0 DIADHO CC(C)[C@@H](NCc1ccc(C[NH3+])cc1F)c1ccc(Cl)cc1 ZINC000650754133 1047279340 /nfs/dbraw/zinc/27/93/40/1047279340.db2.gz BPMYGUNOOZWLEG-GOSISDBHSA-N 1 3 320.839 4.425 20 0 DIADHO CC[C@H](NCc1ccccc1C[NH2+]C)c1ccc(Cl)s1 ZINC000650758167 1047280132 /nfs/dbraw/zinc/28/01/32/1047280132.db2.gz KQGUSKFVINFULG-AWEZNQCLSA-N 1 3 308.878 4.362 20 0 DIADHO CCC[N@@H+]1CC[C@@H](CN[C@H](c2cccnc2)C2CCCCC2)C1 ZINC000652142777 1047344357 /nfs/dbraw/zinc/34/43/57/1047344357.db2.gz BICWZFMLXGVVLC-PXNSSMCTSA-N 1 3 315.505 4.025 20 0 DIADHO CCC[N@H+]1CC[C@@H](CN[C@H](c2cccnc2)C2CCCCC2)C1 ZINC000652142777 1047344364 /nfs/dbraw/zinc/34/43/64/1047344364.db2.gz BICWZFMLXGVVLC-PXNSSMCTSA-N 1 3 315.505 4.025 20 0 DIADHO CCC[N@@H+]1CC[C@H](CN[C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000652142779 1047344537 /nfs/dbraw/zinc/34/45/37/1047344537.db2.gz BICWZFMLXGVVLC-YLJYHZDGSA-N 1 3 315.505 4.025 20 0 DIADHO CCC[N@H+]1CC[C@H](CN[C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000652142779 1047344544 /nfs/dbraw/zinc/34/45/44/1047344544.db2.gz BICWZFMLXGVVLC-YLJYHZDGSA-N 1 3 315.505 4.025 20 0 DIADHO NCCC[N@H+](C1CCCCC1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255691168 1047422803 /nfs/dbraw/zinc/42/28/03/1047422803.db2.gz WWAHWXLPXJXEDG-DZGCQCFKSA-N 1 3 306.416 4.091 20 0 DIADHO NCCC[N@@H+](C1CCCCC1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255691168 1047422807 /nfs/dbraw/zinc/42/28/07/1047422807.db2.gz WWAHWXLPXJXEDG-DZGCQCFKSA-N 1 3 306.416 4.091 20 0 DIADHO NCCC[N@H+](C1CCCCC1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255691175 1047422823 /nfs/dbraw/zinc/42/28/23/1047422823.db2.gz WWAHWXLPXJXEDG-ZFWWWQNUSA-N 1 3 306.416 4.091 20 0 DIADHO NCCC[N@@H+](C1CCCCC1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255691175 1047422829 /nfs/dbraw/zinc/42/28/29/1047422829.db2.gz WWAHWXLPXJXEDG-ZFWWWQNUSA-N 1 3 306.416 4.091 20 0 DIADHO Cc1ccc(-c2ccc(CN(C)C3CC[NH+](C)CC3)cc2)cc1 ZINC001142299814 1047424198 /nfs/dbraw/zinc/42/41/98/1047424198.db2.gz DFGIVKCOCSRNPS-UHFFFAOYSA-N 1 3 308.469 4.188 20 0 DIADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000212498205 1047428947 /nfs/dbraw/zinc/42/89/47/1047428947.db2.gz VVHJSPUBIQRIEV-ZDUSSCGKSA-N 1 3 312.860 4.394 20 0 DIADHO C[C@@H]1C[C@H](N(C)Cc2cccc(-c3ccccc3)c2)CC[N@@H+]1C ZINC000537618158 1047457014 /nfs/dbraw/zinc/45/70/14/1047457014.db2.gz OXBUZESXVQAPGE-DYESRHJHSA-N 1 3 308.469 4.268 20 0 DIADHO C[C@@H]1C[C@H](N(C)Cc2cccc(-c3ccccc3)c2)CC[N@H+]1C ZINC000537618158 1047457017 /nfs/dbraw/zinc/45/70/17/1047457017.db2.gz OXBUZESXVQAPGE-DYESRHJHSA-N 1 3 308.469 4.268 20 0 DIADHO CC(C)C[C@H](C[NH2+][C@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000666993982 1047610367 /nfs/dbraw/zinc/61/03/67/1047610367.db2.gz ZNQOWIATSGTPDC-MOPGFXCFSA-N 1 3 300.490 4.081 20 0 DIADHO CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995254 1047612245 /nfs/dbraw/zinc/61/22/45/1047612245.db2.gz IHDIDRAYYLMRPY-MOPGFXCFSA-N 1 3 300.490 4.052 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995255 1047612617 /nfs/dbraw/zinc/61/26/17/1047612617.db2.gz IHDIDRAYYLMRPY-OALUTQOASA-N 1 3 300.490 4.052 20 0 DIADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1cccc(F)c1F ZINC000538454032 1047679676 /nfs/dbraw/zinc/67/96/76/1047679676.db2.gz QJEWUFBPPKAZET-OAHLLOKOSA-N 1 3 310.432 4.128 20 0 DIADHO CCC[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccccc1F ZINC001168360286 1047751941 /nfs/dbraw/zinc/75/19/41/1047751941.db2.gz MSUUGUSFFDQQFL-IBGZPJMESA-N 1 3 304.453 4.131 20 0 DIADHO CC(C)(C[NH2+][C@H]1CC[C@H](c2ccccc2)C1)CN1CCCC1 ZINC000477950390 1047760373 /nfs/dbraw/zinc/76/03/73/1047760373.db2.gz ZGIXFEOVSLGLPP-OALUTQOASA-N 1 3 300.490 4.034 20 0 DIADHO CCC[C@H](C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001183571144 1047944136 /nfs/dbraw/zinc/94/41/36/1047944136.db2.gz FMESUKBOIAPDJA-WJMWBRGCSA-N 1 3 314.517 4.455 20 0 DIADHO CC(C)(C)c1cc(Nc2ccccc2N2CCC[C@H]([NH3+])C2)ccn1 ZINC001159983187 1047963653 /nfs/dbraw/zinc/96/36/53/1047963653.db2.gz TUIVNMLTWHZRSD-HNNXBMFYSA-N 1 3 324.472 4.050 20 0 DIADHO Cc1nc2ccc(Nc3ccc(CC4CC[NH2+]CC4)cc3)cc2[nH]1 ZINC001160020390 1047970201 /nfs/dbraw/zinc/97/02/01/1047970201.db2.gz WSHHGXZUHZCFNY-UHFFFAOYSA-N 1 3 320.440 4.157 20 0 DIADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(-c2ccncc2)cc1 ZINC000480166774 1048075752 /nfs/dbraw/zinc/07/57/52/1048075752.db2.gz RVQBQNDDEDVHGO-GOSISDBHSA-N 1 3 323.484 4.275 20 0 DIADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1cc(F)ccc1C ZINC001175061966 1048089375 /nfs/dbraw/zinc/08/93/75/1048089375.db2.gz KWSRIOHXHQQJCQ-UHFFFAOYSA-N 1 3 314.448 4.218 20 0 DIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000554736964 1048167719 /nfs/dbraw/zinc/16/77/19/1048167719.db2.gz CZUBLVRVLDEGDS-SPYBWZPUSA-N 1 3 311.473 4.008 20 0 DIADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cc(F)ccc1F ZINC000480613771 1048191190 /nfs/dbraw/zinc/19/11/90/1048191190.db2.gz QBDRMEIQVZKRLW-HUUCEWRRSA-N 1 3 310.432 4.270 20 0 DIADHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cc(F)ccc1F ZINC000480613771 1048191201 /nfs/dbraw/zinc/19/12/01/1048191201.db2.gz QBDRMEIQVZKRLW-HUUCEWRRSA-N 1 3 310.432 4.270 20 0 DIADHO C[C@H]1CCC[N@H+](CCCCNCc2ccsc2Cl)C1 ZINC000480659881 1048209385 /nfs/dbraw/zinc/20/93/85/1048209385.db2.gz GSICUWAPDRTMQJ-ZDUSSCGKSA-N 1 3 300.899 4.003 20 0 DIADHO C[C@H]1CCC[N@@H+](CCCCNCc2ccsc2Cl)C1 ZINC000480659881 1048209399 /nfs/dbraw/zinc/20/93/99/1048209399.db2.gz GSICUWAPDRTMQJ-ZDUSSCGKSA-N 1 3 300.899 4.003 20 0 DIADHO [NH3+]CCN(c1ccnc(C2CC2)c1)c1cccc2ccccc21 ZINC001162007943 1048214466 /nfs/dbraw/zinc/21/44/66/1048214466.db2.gz SORXYMMHDWOKKK-UHFFFAOYSA-N 1 3 303.409 4.209 20 0 DIADHO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000480693317 1048216474 /nfs/dbraw/zinc/21/64/74/1048216474.db2.gz BIWBNICZGSMLHA-KFWWJZLASA-N 1 3 320.443 4.350 20 0 DIADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(-c2ccccc2)c1 ZINC000480741756 1048233382 /nfs/dbraw/zinc/23/33/82/1048233382.db2.gz ACDFYPNSBXPSPS-ROUUACIJSA-N 1 3 320.480 4.489 20 0 DIADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(-c2ccccc2)c1 ZINC000480741756 1048233394 /nfs/dbraw/zinc/23/33/94/1048233394.db2.gz ACDFYPNSBXPSPS-ROUUACIJSA-N 1 3 320.480 4.489 20 0 DIADHO C[C@@H]([NH2+]CCCCc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000481051754 1048301852 /nfs/dbraw/zinc/30/18/52/1048301852.db2.gz CLZQACVAJDMNFH-UYAOXDASSA-N 1 3 314.517 4.252 20 0 DIADHO CC(C)(C[N@@H+]1CCCC[C@@H](N)C1)Sc1ccc(Cl)cc1 ZINC001205923077 1048317484 /nfs/dbraw/zinc/31/74/84/1048317484.db2.gz HZZRYOWFPQBLBO-CQSZACIVSA-N 1 3 312.910 4.024 20 0 DIADHO CC(C)(C[N@H+]1CCCC[C@@H](N)C1)Sc1ccc(Cl)cc1 ZINC001205923077 1048317496 /nfs/dbraw/zinc/31/74/96/1048317496.db2.gz HZZRYOWFPQBLBO-CQSZACIVSA-N 1 3 312.910 4.024 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(-c3cccs3)cc2)C1 ZINC000481305066 1048359251 /nfs/dbraw/zinc/35/92/51/1048359251.db2.gz JZFMJXADGATFQX-CVEARBPZSA-N 1 3 314.498 4.408 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@@H](CCC(C)C)c2ccc(OC)cc2)C1 ZINC000481301215 1048363046 /nfs/dbraw/zinc/36/30/46/1048363046.db2.gz XZTDOXZKAZAIQU-PXNSSMCTSA-N 1 3 318.505 4.104 20 0 DIADHO CC[N@@H+]1CC[C@@H](CN[C@@H](CCC(C)C)c2ccc(OC)cc2)C1 ZINC000481301215 1048363059 /nfs/dbraw/zinc/36/30/59/1048363059.db2.gz XZTDOXZKAZAIQU-PXNSSMCTSA-N 1 3 318.505 4.104 20 0 DIADHO CC[N@H+]1CC[C@@H](CN[C@@H](CCC(C)C)c2ccc(OC)cc2)C1 ZINC000481301215 1048363073 /nfs/dbraw/zinc/36/30/73/1048363073.db2.gz XZTDOXZKAZAIQU-PXNSSMCTSA-N 1 3 318.505 4.104 20 0 DIADHO C[C@@H](NC1CC[NH+](C2CCC2)CC1)c1ccc2c(c1)CCCC2 ZINC000481441335 1048405384 /nfs/dbraw/zinc/40/53/84/1048405384.db2.gz VVFUENWURLETNL-MRXNPFEDSA-N 1 3 312.501 4.233 20 0 DIADHO CN(CCCC[NH+]1CCCCC1)Cc1ccc(Cl)s1 ZINC001175686535 1048417768 /nfs/dbraw/zinc/41/77/68/1048417768.db2.gz GATBAPLTQLYONM-UHFFFAOYSA-N 1 3 300.899 4.099 20 0 DIADHO Cc1cccc(-c2cccc(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)c2)c1 ZINC000481920653 1048528617 /nfs/dbraw/zinc/52/86/17/1048528617.db2.gz FSBZXTXRUBLLMD-DYESRHJHSA-N 1 3 308.469 4.234 20 0 DIADHO Cc1cccc(-c2cccc(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2)c1 ZINC000481920653 1048528628 /nfs/dbraw/zinc/52/86/28/1048528628.db2.gz FSBZXTXRUBLLMD-DYESRHJHSA-N 1 3 308.469 4.234 20 0 DIADHO CCC[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc(OC)cc1 ZINC000482340554 1048589424 /nfs/dbraw/zinc/58/94/24/1048589424.db2.gz ATOXMFDLGKKADR-YLJYHZDGSA-N 1 3 318.505 4.246 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000482330517 1048590231 /nfs/dbraw/zinc/59/02/31/1048590231.db2.gz UTKVOPUYXPFVAE-VQIMIIECSA-N 1 3 300.490 4.119 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCc3c2cccc3F)c1 ZINC000482353745 1048593958 /nfs/dbraw/zinc/59/39/58/1048593958.db2.gz RZKRBKUVTQCSLQ-HXUWFJFHSA-N 1 3 312.432 4.055 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCc3c2cccc3F)c1 ZINC000482353745 1048593973 /nfs/dbraw/zinc/59/39/73/1048593973.db2.gz RZKRBKUVTQCSLQ-HXUWFJFHSA-N 1 3 312.432 4.055 20 0 DIADHO c1coc(CN2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC001203284460 1048641572 /nfs/dbraw/zinc/64/15/72/1048641572.db2.gz DGODJLBKMHLVRR-UHFFFAOYSA-N 1 3 324.468 4.158 20 0 DIADHO CCC(C)(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716622495 1048677595 /nfs/dbraw/zinc/67/75/95/1048677595.db2.gz VNRRXEVCCALWBF-UFYCRDLUSA-N 1 3 314.517 4.455 20 0 DIADHO c1ccc(CN2C[C@@H]3C[C@H]2C[C@H]([NH2+]CC[C@@H]2CC=CCC2)C3)cc1 ZINC000716654383 1048785939 /nfs/dbraw/zinc/78/59/39/1048785939.db2.gz GAEZJDCFMPDMHM-ZDFPQIBNSA-N 1 3 324.512 4.376 20 0 DIADHO C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000483495365 1048805988 /nfs/dbraw/zinc/80/59/88/1048805988.db2.gz YTOSEDBBLDIPMZ-HBGVWJBISA-N 1 3 308.469 4.317 20 0 DIADHO C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000483495365 1048806008 /nfs/dbraw/zinc/80/60/08/1048806008.db2.gz YTOSEDBBLDIPMZ-HBGVWJBISA-N 1 3 308.469 4.317 20 0 DIADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(-c2ccccc2)c1 ZINC000483721999 1048845109 /nfs/dbraw/zinc/84/51/09/1048845109.db2.gz CRAYOZYNXIGAMA-XGHQBKJUSA-N 1 3 308.469 4.487 20 0 DIADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(-c2ccccc2)c1 ZINC000483721999 1048845117 /nfs/dbraw/zinc/84/51/17/1048845117.db2.gz CRAYOZYNXIGAMA-XGHQBKJUSA-N 1 3 308.469 4.487 20 0 DIADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cscc1Cl ZINC001177299269 1048859981 /nfs/dbraw/zinc/85/99/81/1048859981.db2.gz MYPOPESGXOVUBY-ZDUSSCGKSA-N 1 3 300.899 4.146 20 0 DIADHO C[C@H]1CCCC[N@H+]1CCCCNCc1cscc1Cl ZINC001177299269 1048859999 /nfs/dbraw/zinc/85/99/99/1048859999.db2.gz MYPOPESGXOVUBY-ZDUSSCGKSA-N 1 3 300.899 4.146 20 0 DIADHO CC[C@@H](NC1CC[NH+](CC2CC2)CC1)c1cc(C)ccc1C ZINC001168368633 1048899562 /nfs/dbraw/zinc/89/95/62/1048899562.db2.gz NJVIRMQTCIDIAZ-HXUWFJFHSA-N 1 3 300.490 4.219 20 0 DIADHO Cc1ccccc1C1CC(N(CC[C@H]2CCC[N@H+]2C)C2CC2)C1 ZINC001191329849 1048927605 /nfs/dbraw/zinc/92/76/05/1048927605.db2.gz KJGINSLRTKQJPC-QPIRBTGLSA-N 1 3 312.501 4.190 20 0 DIADHO Cc1ccccc1C1CC(N(CC[C@H]2CCC[N@@H+]2C)C2CC2)C1 ZINC001191329849 1048927617 /nfs/dbraw/zinc/92/76/17/1048927617.db2.gz KJGINSLRTKQJPC-QPIRBTGLSA-N 1 3 312.501 4.190 20 0 DIADHO CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)c2c(C)cc(C)cc2C)C1 ZINC001191368036 1048935498 /nfs/dbraw/zinc/93/54/98/1048935498.db2.gz WMNSFFYKRAFIED-OALUTQOASA-N 1 3 302.506 4.337 20 0 DIADHO CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)c2c(C)cc(C)cc2C)C1 ZINC001191368036 1048935503 /nfs/dbraw/zinc/93/55/03/1048935503.db2.gz WMNSFFYKRAFIED-OALUTQOASA-N 1 3 302.506 4.337 20 0 DIADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000484497389 1048963545 /nfs/dbraw/zinc/96/35/45/1048963545.db2.gz ZWBCTXMSDXDZAH-RCBQFDQVSA-N 1 3 314.395 4.229 20 0 DIADHO Cc1ccccc1CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001203709878 1048973276 /nfs/dbraw/zinc/97/32/76/1048973276.db2.gz SLNNDLZAIKPLHO-QFIPXVFZSA-N 1 3 320.480 4.093 20 0 DIADHO Cc1ccccc1CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001203709878 1048973289 /nfs/dbraw/zinc/97/32/89/1048973289.db2.gz SLNNDLZAIKPLHO-QFIPXVFZSA-N 1 3 320.480 4.093 20 0 DIADHO Cc1cc([C@@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C2CC2)ccc1F ZINC001178218724 1049005257 /nfs/dbraw/zinc/00/52/57/1049005257.db2.gz XLLZCQBYNMYGNU-WMZOPIPTSA-N 1 3 304.453 4.048 20 0 DIADHO Cc1cc([C@@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)ccc1F ZINC001178218724 1049005266 /nfs/dbraw/zinc/00/52/66/1049005266.db2.gz XLLZCQBYNMYGNU-WMZOPIPTSA-N 1 3 304.453 4.048 20 0 DIADHO CN1CC[C@@]2(CC[N@H+](Cc3cccc(Oc4ccccc4)c3)C2)C1 ZINC001203815308 1049006036 /nfs/dbraw/zinc/00/60/36/1049006036.db2.gz MOAPTHIVHIMQNR-OAQYLSRUSA-N 1 3 322.452 4.007 20 0 DIADHO CN1CC[C@@]2(CC[N@@H+](Cc3cccc(Oc4ccccc4)c3)C2)C1 ZINC001203815308 1049006051 /nfs/dbraw/zinc/00/60/51/1049006051.db2.gz MOAPTHIVHIMQNR-OAQYLSRUSA-N 1 3 322.452 4.007 20 0 DIADHO c1c[nH]c([C@H]2CCCN2Cc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC001191939417 1049019157 /nfs/dbraw/zinc/01/91/57/1049019157.db2.gz UIZXPINUBFDXNC-OAQYLSRUSA-N 1 3 323.484 4.338 20 0 DIADHO CN1CC2(C1)CC[NH+](Cc1ccc(Oc3ccccc3)cc1)CC2 ZINC001203944485 1049037257 /nfs/dbraw/zinc/03/72/57/1049037257.db2.gz PYJPWEMXCAVLHM-UHFFFAOYSA-N 1 3 322.452 4.007 20 0 DIADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1C[C@@H]1C1CCCC1 ZINC001204087425 1049081288 /nfs/dbraw/zinc/08/12/88/1049081288.db2.gz BLWUNLFVRBMWCV-FXAWDEMLSA-N 1 3 304.522 4.199 20 0 DIADHO CC(C)[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000716710924 1049144227 /nfs/dbraw/zinc/14/42/27/1049144227.db2.gz YXUDZBZPOLGKJQ-NRDMVMEKSA-N 1 3 312.501 4.064 20 0 DIADHO CCC1(CC)CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC001179266580 1049149461 /nfs/dbraw/zinc/14/94/61/1049149461.db2.gz QYMWWPWRZROBTN-GOSISDBHSA-N 1 3 306.538 4.447 20 0 DIADHO CC(C)C1CCC(C[NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC001179266932 1049150774 /nfs/dbraw/zinc/15/07/74/1049150774.db2.gz ZWRQZVANFCCUSO-SYYJFZTOSA-N 1 3 306.538 4.160 20 0 DIADHO CCCC1CCC(CN[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC001179636997 1049191178 /nfs/dbraw/zinc/19/11/78/1049191178.db2.gz PTFFVCOGVWHURD-QLOJAFMTSA-N 1 3 317.521 4.271 20 0 DIADHO Cc1ccccc1SC[C@@H](C)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC001193392898 1049206246 /nfs/dbraw/zinc/20/62/46/1049206246.db2.gz OHYGBUVLBYJZFW-FUHWJXTLSA-N 1 3 320.546 4.139 20 0 DIADHO Cc1ccccc1SC[C@@H](C)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC001193392898 1049206253 /nfs/dbraw/zinc/20/62/53/1049206253.db2.gz OHYGBUVLBYJZFW-FUHWJXTLSA-N 1 3 320.546 4.139 20 0 DIADHO CCN(CC)CC[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC001179805922 1049209136 /nfs/dbraw/zinc/20/91/36/1049209136.db2.gz VNGDONSDTOFTEX-RTBURBONSA-N 1 3 318.505 4.007 20 0 DIADHO C[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1csc2ccccc12 ZINC000858128161 1049220155 /nfs/dbraw/zinc/22/01/55/1049220155.db2.gz CIRVMHXBTNFFBV-ZIAGYGMSSA-N 1 3 302.487 4.425 20 0 DIADHO C[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1csc2ccccc12 ZINC000858128161 1049220169 /nfs/dbraw/zinc/22/01/69/1049220169.db2.gz CIRVMHXBTNFFBV-ZIAGYGMSSA-N 1 3 302.487 4.425 20 0 DIADHO CC[NH+]1CCC(CN2Cc3ccccc3-c3ccccc3C2)CC1 ZINC001180048630 1049254980 /nfs/dbraw/zinc/25/49/80/1049254980.db2.gz WKUHDYMMOCISML-UHFFFAOYSA-N 1 3 320.480 4.401 20 0 DIADHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(C(F)F)c1 ZINC000859213204 1049319818 /nfs/dbraw/zinc/31/98/18/1049319818.db2.gz TWKAIGFUXVPBGP-UHFFFAOYSA-N 1 3 318.411 4.318 20 0 DIADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc2ncsc2c1 ZINC000485701161 1049324714 /nfs/dbraw/zinc/32/47/14/1049324714.db2.gz ZUDGFDXIKFGCKL-CYBMUJFWSA-N 1 3 317.502 4.210 20 0 DIADHO C[NH2+]C[C@@H]1CCCN(Cc2cccc(-c3ccccc3)c2C)C1 ZINC001205017252 1049343139 /nfs/dbraw/zinc/34/31/39/1049343139.db2.gz MHTSTNMAEOVUDA-SFHVURJKSA-N 1 3 308.469 4.093 20 0 DIADHO Cc1ccc(N(C)c2ccc(CN3CCC[C@@H]([NH3+])CC3)cc2)cc1 ZINC001205102412 1049378251 /nfs/dbraw/zinc/37/82/51/1049378251.db2.gz RQSKRTUNRYETHZ-LJQANCHMSA-N 1 3 323.484 4.076 20 0 DIADHO [NH3+][C@@H]1CCCN(Cc2ccc3sc4ccccc4c3c2)CC1 ZINC001205124126 1049386253 /nfs/dbraw/zinc/38/62/53/1049386253.db2.gz KNHQDPMWWDYVGR-OAHLLOKOSA-N 1 3 310.466 4.368 20 0 DIADHO CC[C@H](Cc1cccs1)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC001180795322 1049404783 /nfs/dbraw/zinc/40/47/83/1049404783.db2.gz VAOFBKHSIWGBLT-IXDOHACOSA-N 1 3 320.546 4.312 20 0 DIADHO C[C@@H](N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC001180978368 1049425997 /nfs/dbraw/zinc/42/59/97/1049425997.db2.gz ZRHOUEDQSMSNED-NUJGCVRESA-N 1 3 314.498 4.309 20 0 DIADHO C[C@@H](N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC001180978368 1049426003 /nfs/dbraw/zinc/42/60/03/1049426003.db2.gz ZRHOUEDQSMSNED-NUJGCVRESA-N 1 3 314.498 4.309 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC001205297581 1049430435 /nfs/dbraw/zinc/43/04/35/1049430435.db2.gz BNVAKYMQXJFLTI-ROUUACIJSA-N 1 3 311.473 4.007 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc2[nH]ccc21 ZINC001205297581 1049430440 /nfs/dbraw/zinc/43/04/40/1049430440.db2.gz BNVAKYMQXJFLTI-ROUUACIJSA-N 1 3 311.473 4.007 20 0 DIADHO Cc1cc(CN2CCC[C@@](C)([NH3+])CC2)ccc1Oc1ccccc1 ZINC001205296411 1049431556 /nfs/dbraw/zinc/43/15/56/1049431556.db2.gz OQFDSZCPCYRBJY-OAQYLSRUSA-N 1 3 324.468 4.491 20 0 DIADHO C[C@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)CCC1(F)F ZINC001194832983 1049437514 /nfs/dbraw/zinc/43/75/14/1049437514.db2.gz FLMMTAGBLSQMJI-INIZCTEOSA-N 1 3 322.443 4.150 20 0 DIADHO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC001205385392 1049455430 /nfs/dbraw/zinc/45/54/30/1049455430.db2.gz DTZUMTHPBXQNNX-MKXGPGLRSA-N 1 3 306.538 4.445 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC001205391595 1049458598 /nfs/dbraw/zinc/45/85/98/1049458598.db2.gz PRGQOULTAUBTFM-ICSRJNTNSA-N 1 3 302.506 4.252 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2cc3ccccc3[nH]2)c1 ZINC000775630340 1049469664 /nfs/dbraw/zinc/46/96/64/1049469664.db2.gz YUFRLJXKSZQXPA-INIZCTEOSA-N 1 3 321.468 4.470 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2cc3ccccc3[nH]2)c1 ZINC000775630340 1049469674 /nfs/dbraw/zinc/46/96/74/1049469674.db2.gz YUFRLJXKSZQXPA-INIZCTEOSA-N 1 3 321.468 4.470 20 0 DIADHO CC(C)(C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)CN1CCCC1 ZINC001181428620 1049473812 /nfs/dbraw/zinc/47/38/12/1049473812.db2.gz ZQDMXMCNAOKZDE-UXHICEINSA-N 1 3 314.517 4.109 20 0 DIADHO C[C@H](Cc1coc2ccccc12)[NH2+]CC(C)(C)CN1CCCC1 ZINC001181426982 1049473933 /nfs/dbraw/zinc/47/39/33/1049473933.db2.gz IBZKFGKFZCHUFX-MRXNPFEDSA-N 1 3 314.473 4.075 20 0 DIADHO C[C@H](Cc1cccc(F)c1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001205554473 1049496992 /nfs/dbraw/zinc/49/69/92/1049496992.db2.gz GPGLBOVKVKPOFJ-OXQOHEQNSA-N 1 3 318.480 4.143 20 0 DIADHO C[C@H](Cc1cccc(F)c1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001205554473 1049497013 /nfs/dbraw/zinc/49/70/13/1049497013.db2.gz GPGLBOVKVKPOFJ-OXQOHEQNSA-N 1 3 318.480 4.143 20 0 DIADHO Cc1ccc(CN2CC[C@H](C)[C@@H](C[NH3+])CC2)c(Cl)c1Cl ZINC001205639086 1049519191 /nfs/dbraw/zinc/51/91/91/1049519191.db2.gz VOOYMEZQFMJVOT-WCQYABFASA-N 1 3 315.288 4.109 20 0 DIADHO Cc1cc(Cl)c(Cl)cc1CN1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205654168 1049523853 /nfs/dbraw/zinc/52/38/53/1049523853.db2.gz WOVJHUUCQTWPTN-YPMHNXCESA-N 1 3 315.288 4.109 20 0 DIADHO CCN(CCC[NH+]1CCCC1)C[C@@H](C)c1cccc(Cl)c1 ZINC001205693241 1049535284 /nfs/dbraw/zinc/53/52/84/1049535284.db2.gz SCWDPXFCSOTKLG-MRXNPFEDSA-N 1 3 308.897 4.251 20 0 DIADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc2oc3ccccc3c2c1 ZINC001205703142 1049538458 /nfs/dbraw/zinc/53/84/58/1049538458.db2.gz WTCWQDQUDHBVHY-KXBFYZLASA-N 1 3 322.452 4.358 20 0 DIADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc2oc3ccccc3c2c1 ZINC001205703142 1049538474 /nfs/dbraw/zinc/53/84/74/1049538474.db2.gz WTCWQDQUDHBVHY-KXBFYZLASA-N 1 3 322.452 4.358 20 0 DIADHO C[C@H]1C[N@H+](CCCN2CCCCC2)CCc2ccc(Cl)cc21 ZINC001195767319 1049566201 /nfs/dbraw/zinc/56/62/01/1049566201.db2.gz JZAFEXMJQGFCNS-INIZCTEOSA-N 1 3 320.908 4.178 20 0 DIADHO C[C@H]1C[N@@H+](CCCN2CCCCC2)CCc2ccc(Cl)cc21 ZINC001195767319 1049566217 /nfs/dbraw/zinc/56/62/17/1049566217.db2.gz JZAFEXMJQGFCNS-INIZCTEOSA-N 1 3 320.908 4.178 20 0 DIADHO CCN(CC)CCC[N@@H+]1CCC[C@@]1(CC)Cc1ccccc1 ZINC001195987415 1049596903 /nfs/dbraw/zinc/59/69/03/1049596903.db2.gz ZKHHGFVZUVRIHN-FQEVSTJZSA-N 1 3 302.506 4.206 20 0 DIADHO CCN(CC)CCC[N@H+]1CCC[C@@]1(CC)Cc1ccccc1 ZINC001195987415 1049596914 /nfs/dbraw/zinc/59/69/14/1049596914.db2.gz ZKHHGFVZUVRIHN-FQEVSTJZSA-N 1 3 302.506 4.206 20 0 DIADHO CCCCCCOc1ccc(CN2CCC[C@H](C[NH3+])[C@H]2C)cc1 ZINC001205904509 1049597411 /nfs/dbraw/zinc/59/74/11/1049597411.db2.gz VQMRIFVGQLSADU-IEBWSBKVSA-N 1 3 318.505 4.205 20 0 DIADHO C[C@H]1[C@@H](C[NH3+])CCCN1Cc1cc(-c2ccsc2)cs1 ZINC001205915143 1049601500 /nfs/dbraw/zinc/60/15/00/1049601500.db2.gz OONCVWORQORHMX-QWHCGFSZSA-N 1 3 306.500 4.036 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC001205980949 1049616589 /nfs/dbraw/zinc/61/65/89/1049616589.db2.gz UBMKFKRQOPOPPL-QUCCMNQESA-N 1 3 314.517 4.423 20 0 DIADHO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000864049197 1049638569 /nfs/dbraw/zinc/63/85/69/1049638569.db2.gz CYXXXGSHERKCEL-RHSMWYFYSA-N 1 3 318.530 4.042 20 0 DIADHO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000864049197 1049638578 /nfs/dbraw/zinc/63/85/78/1049638578.db2.gz CYXXXGSHERKCEL-RHSMWYFYSA-N 1 3 318.530 4.042 20 0 DIADHO CC(C)c1ccc2c(c1)[C@H](NC1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC000774265382 1049639825 /nfs/dbraw/zinc/63/98/25/1049639825.db2.gz DQWCRTBAIDJEGU-SMLSOGCJSA-N 1 3 312.501 4.402 20 0 DIADHO CC(C)c1ccc2c(c1)[C@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC000774265382 1049639830 /nfs/dbraw/zinc/63/98/30/1049639830.db2.gz DQWCRTBAIDJEGU-SMLSOGCJSA-N 1 3 312.501 4.402 20 0 DIADHO C[C@H]([NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000488584470 1049680819 /nfs/dbraw/zinc/68/08/19/1049680819.db2.gz RNGLALDLDGCGFS-NBOOPKSLSA-N 1 3 324.578 4.149 20 0 DIADHO C[C@@H]1CNCC[N@@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001206276296 1049696686 /nfs/dbraw/zinc/69/66/86/1049696686.db2.gz DUGRXNLMFBQCKI-CQSZACIVSA-N 1 3 310.466 4.096 20 0 DIADHO C[C@@H]1CNCC[N@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001206276296 1049696679 /nfs/dbraw/zinc/69/66/79/1049696679.db2.gz DUGRXNLMFBQCKI-CQSZACIVSA-N 1 3 310.466 4.096 20 0 DIADHO C[C@H]1CNCC[N@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001206276295 1049697103 /nfs/dbraw/zinc/69/71/03/1049697103.db2.gz DUGRXNLMFBQCKI-AWEZNQCLSA-N 1 3 310.466 4.096 20 0 DIADHO C[C@H]1CNCC[N@@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001206276295 1049697110 /nfs/dbraw/zinc/69/71/10/1049697110.db2.gz DUGRXNLMFBQCKI-AWEZNQCLSA-N 1 3 310.466 4.096 20 0 DIADHO Cc1cc(CN2CCC[C@@](C)(C[NH3+])CC2)c(Cl)cc1Cl ZINC001206324782 1049711673 /nfs/dbraw/zinc/71/16/73/1049711673.db2.gz DIJYQLMNIAQWLL-MRXNPFEDSA-N 1 3 315.288 4.253 20 0 DIADHO C[C@@H](N[C@H]1CCc2cc(F)ccc21)c1cccc(C[NH+](C)C)c1 ZINC000924843773 1049728420 /nfs/dbraw/zinc/72/84/20/1049728420.db2.gz MWZNABIVCFJTHN-VLIAUNLRSA-N 1 3 312.432 4.225 20 0 DIADHO C[C@H](N[C@H]1CCc2cc(F)ccc21)c1cccc(C[NH+](C)C)c1 ZINC000924843775 1049728910 /nfs/dbraw/zinc/72/89/10/1049728910.db2.gz MWZNABIVCFJTHN-XOBRGWDASA-N 1 3 312.432 4.225 20 0 DIADHO CCC1([NH+]2CCCCC2)CCN(CC23CCC(CC2)C3)CC1 ZINC001197360017 1049742428 /nfs/dbraw/zinc/74/24/28/1049742428.db2.gz TVGWEMIXIBLTMI-UHFFFAOYSA-N 1 3 304.522 4.297 20 0 DIADHO CC[N@H+](CCCN[C@@H](C)Cc1ccc(F)cc1)C1CCCCC1 ZINC001206559191 1049755341 /nfs/dbraw/zinc/75/53/41/1049755341.db2.gz AQJBPHKJMMCHHS-KRWDZBQOSA-N 1 3 320.496 4.391 20 0 DIADHO CC[N@@H+](CCCN[C@@H](C)Cc1ccc(F)cc1)C1CCCCC1 ZINC001206559191 1049755350 /nfs/dbraw/zinc/75/53/50/1049755350.db2.gz AQJBPHKJMMCHHS-KRWDZBQOSA-N 1 3 320.496 4.391 20 0 DIADHO C[C@@]1(C[NH3+])CCCCN(Cc2cc(-c3ccsc3)cs2)C1 ZINC001206573152 1049759527 /nfs/dbraw/zinc/75/95/27/1049759527.db2.gz IUTVPQOLTCXDOL-KRWDZBQOSA-N 1 3 320.527 4.428 20 0 DIADHO CC(C)[N@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)[C@@H]1CCCNCC1 ZINC001206580119 1049762323 /nfs/dbraw/zinc/76/23/23/1049762323.db2.gz CJKLZRBQRFAZBM-QXAKKESOSA-N 1 3 320.908 4.296 20 0 DIADHO CC(C)[N@@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)[C@@H]1CCCNCC1 ZINC001206580119 1049762327 /nfs/dbraw/zinc/76/23/27/1049762327.db2.gz CJKLZRBQRFAZBM-QXAKKESOSA-N 1 3 320.908 4.296 20 0 DIADHO CCCCc1ccc(CN(C(C)C)[C@H]2CCC[NH2+]CC2)s1 ZINC001206591844 1049764532 /nfs/dbraw/zinc/76/45/32/1049764532.db2.gz WSZYERXDSMXGJQ-INIZCTEOSA-N 1 3 308.535 4.443 20 0 DIADHO CC(C)c1ccc(C[C@H](C)C[N@@H+]2CCCC[C@@H](CN)C2)cc1 ZINC001206606115 1049768644 /nfs/dbraw/zinc/76/86/44/1049768644.db2.gz DSEWDWJHVJEPAV-HKUYNNGSSA-N 1 3 302.506 4.049 20 0 DIADHO CC(C)c1ccc(C[C@H](C)C[N@H+]2CCCC[C@@H](CN)C2)cc1 ZINC001206606115 1049768652 /nfs/dbraw/zinc/76/86/52/1049768652.db2.gz DSEWDWJHVJEPAV-HKUYNNGSSA-N 1 3 302.506 4.049 20 0 DIADHO CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CCCC[C@H](CN)C1 ZINC001206617028 1049771232 /nfs/dbraw/zinc/77/12/32/1049771232.db2.gz YEKBHTCFEBAARO-OAHLLOKOSA-N 1 3 313.489 4.026 20 0 DIADHO CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCCC[C@H](CN)C1 ZINC001206617028 1049771240 /nfs/dbraw/zinc/77/12/40/1049771240.db2.gz YEKBHTCFEBAARO-OAHLLOKOSA-N 1 3 313.489 4.026 20 0 DIADHO CN1CCCC[C@H](C[NH2+]C2CCC(C)(c3ccccc3)CC2)C1 ZINC001206680440 1049778776 /nfs/dbraw/zinc/77/87/76/1049778776.db2.gz JXPMFUDRCRMIQS-KMFTYDHNSA-N 1 3 314.517 4.208 20 0 DIADHO C[C@H]1CC[C@@H](C[NH3+])CN1Cc1ccc2oc3ccccc3c2c1 ZINC001206767801 1049795081 /nfs/dbraw/zinc/79/50/81/1049795081.db2.gz FGZGMEPFJDVVHK-HOCLYGCPSA-N 1 3 308.425 4.145 20 0 DIADHO C[C@H]1CC[C@H](C[NH3+])CN1Cc1ccc2oc3ccccc3c2c1 ZINC001206767800 1049795520 /nfs/dbraw/zinc/79/55/20/1049795520.db2.gz FGZGMEPFJDVVHK-GOEBONIOSA-N 1 3 308.425 4.145 20 0 DIADHO C[C@H](C[NH+](C)C)[C@H]1CCCCN1Cc1ccc2c(c1)CCCC2 ZINC001206800094 1049802031 /nfs/dbraw/zinc/80/20/31/1049802031.db2.gz HWPOLKGGFPJEML-DYESRHJHSA-N 1 3 314.517 4.118 20 0 DIADHO Cc1cc(CN2C[C@@H](C[NH3+])CC[C@H]2C)ccc1Oc1ccccc1 ZINC001206806213 1049803793 /nfs/dbraw/zinc/80/37/93/1049803793.db2.gz FZLPXXKZQJRKDS-IEBWSBKVSA-N 1 3 324.468 4.347 20 0 DIADHO CN(C1CC1)C1CC[NH+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001207198384 1049861719 /nfs/dbraw/zinc/86/17/19/1049861719.db2.gz SQGQXAGGPPAYMP-BEFAXECRSA-N 1 3 318.892 4.002 20 0 DIADHO C[NH+](C)CC(C)(C)CN1CCC(c2ccc(Cl)cc2)CC1 ZINC001207280707 1049873579 /nfs/dbraw/zinc/87/35/79/1049873579.db2.gz ZJQFBXGYQSSHFN-UHFFFAOYSA-N 1 3 308.897 4.107 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCCCc1ccccc1 ZINC001207616666 1049918363 /nfs/dbraw/zinc/91/83/63/1049918363.db2.gz HKNVKYKWNQLQJQ-LEWJYISDSA-N 1 3 314.517 4.348 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCCCc1ccccc1 ZINC001207616666 1049918369 /nfs/dbraw/zinc/91/83/69/1049918369.db2.gz HKNVKYKWNQLQJQ-LEWJYISDSA-N 1 3 314.517 4.348 20 0 DIADHO C[C@H](c1nccc2ccccc21)[N@@H+]1CCC(C)(C)NC(C)(C)C1 ZINC001207837297 1049942739 /nfs/dbraw/zinc/94/27/39/1049942739.db2.gz OPYGOKAROIXEFA-OAHLLOKOSA-N 1 3 311.473 4.148 20 0 DIADHO C[C@H](c1nccc2ccccc21)[N@H+]1CCC(C)(C)NC(C)(C)C1 ZINC001207837297 1049942751 /nfs/dbraw/zinc/94/27/51/1049942751.db2.gz OPYGOKAROIXEFA-OAHLLOKOSA-N 1 3 311.473 4.148 20 0 DIADHO CCCCN1CCC([NH2+][C@H](C)c2cccc(OCC)c2)CC1 ZINC000164473741 1049947352 /nfs/dbraw/zinc/94/73/52/1049947352.db2.gz WRTDGVHYCLYBKE-MRXNPFEDSA-N 1 3 304.478 4.000 20 0 DIADHO C[NH+]1CCC(C)(CN2CCC[C@@H]2c2ccc(Cl)s2)CC1 ZINC001208113437 1049974074 /nfs/dbraw/zinc/97/40/74/1049974074.db2.gz INYLJRJUOAUOHW-CYBMUJFWSA-N 1 3 312.910 4.270 20 0 DIADHO CCN(Cc1ccccc1)C1CC[NH+](CC[C@H](C)SC)CC1 ZINC001208140094 1049976715 /nfs/dbraw/zinc/97/67/15/1049976715.db2.gz CGKKJVSETVYNQZ-KRWDZBQOSA-N 1 3 320.546 4.115 20 0 DIADHO CC/C=C\CCCCC[NH+]1CCC(N(CC)[C@H]2CCOC2)CC1 ZINC001208194843 1049983577 /nfs/dbraw/zinc/98/35/77/1049983577.db2.gz SDCMYVFBAOXPLH-PRPIBZDOSA-N 1 3 322.537 4.088 20 0 DIADHO CC/C=C\CCCCC[NH+]1CCC(N(CC)[C@@H]2CCOC2)CC1 ZINC001208194842 1049983774 /nfs/dbraw/zinc/98/37/74/1049983774.db2.gz SDCMYVFBAOXPLH-KKHYBRAUSA-N 1 3 322.537 4.088 20 0 DIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1cccc(C2CC2)c1 ZINC000572111804 1049994814 /nfs/dbraw/zinc/99/48/14/1049994814.db2.gz UHQVCDNRHIQWEF-ZIAGYGMSSA-N 1 3 309.457 4.138 20 0 DIADHO CN(C[C@H]1CCC[N@H+](C)C1)C(c1ccccc1)c1ccccc1 ZINC001208603846 1049997621 /nfs/dbraw/zinc/99/76/21/1049997621.db2.gz GYNFQEZASSATRH-SFHVURJKSA-N 1 3 308.469 4.050 20 0 DIADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(c1ccccc1)c1ccccc1 ZINC001208603846 1049997623 /nfs/dbraw/zinc/99/76/23/1049997623.db2.gz GYNFQEZASSATRH-SFHVURJKSA-N 1 3 308.469 4.050 20 0 DIADHO C[N@H+](Cc1ccc(Cl)cc1)C1CCN(CCC2CC2)CC1 ZINC001208686650 1050002238 /nfs/dbraw/zinc/00/22/38/1050002238.db2.gz OQIYOEFEAMNCCQ-UHFFFAOYSA-N 1 3 306.881 4.036 20 0 DIADHO C[N@@H+](Cc1ccc(Cl)cc1)C1CCN(CCC2CC2)CC1 ZINC001208686650 1050002242 /nfs/dbraw/zinc/00/22/42/1050002242.db2.gz OQIYOEFEAMNCCQ-UHFFFAOYSA-N 1 3 306.881 4.036 20 0 DIADHO CCCN1C[C@@H]2C[N@@H+](C[C@H](C)c3cccc4ccccc43)C[C@@H]2C1 ZINC001208710632 1050006158 /nfs/dbraw/zinc/00/61/58/1050006158.db2.gz RCADQZOHARSDPX-YSIASYRMSA-N 1 3 322.496 4.217 20 0 DIADHO CCCN1C[C@@H]2C[N@H+](C[C@H](C)c3cccc4ccccc43)C[C@@H]2C1 ZINC001208710632 1050006165 /nfs/dbraw/zinc/00/61/65/1050006165.db2.gz RCADQZOHARSDPX-YSIASYRMSA-N 1 3 322.496 4.217 20 0 DIADHO CCC[N@H+]1C[C@H]2CN(C[C@H](C)c3cccc4ccccc43)C[C@H]2C1 ZINC001208710632 1050006170 /nfs/dbraw/zinc/00/61/70/1050006170.db2.gz RCADQZOHARSDPX-YSIASYRMSA-N 1 3 322.496 4.217 20 0 DIADHO CCC[N@@H+]1C[C@H]2CN(C[C@H](C)c3cccc4ccccc43)C[C@H]2C1 ZINC001208710632 1050006175 /nfs/dbraw/zinc/00/61/75/1050006175.db2.gz RCADQZOHARSDPX-YSIASYRMSA-N 1 3 322.496 4.217 20 0 DIADHO CC(C)CCCN1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001208736816 1050007794 /nfs/dbraw/zinc/00/77/94/1050007794.db2.gz PDSSPRVSLRGEGQ-UHFFFAOYSA-N 1 3 306.469 4.158 20 0 DIADHO CC(C)CCCN1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001208736816 1050007801 /nfs/dbraw/zinc/00/78/01/1050007801.db2.gz PDSSPRVSLRGEGQ-UHFFFAOYSA-N 1 3 306.469 4.158 20 0 DIADHO c1ccc(CN2CC[C@H](C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)C2)cc1 ZINC001208947801 1050027607 /nfs/dbraw/zinc/02/76/07/1050027607.db2.gz DAEIYJURFZIXDV-PCCBWWKXSA-N 1 3 312.501 4.163 20 0 DIADHO c1ccc(CN2CC[C@H](C[N@H+]3CCC[C@@H]4CCCC[C@H]43)C2)cc1 ZINC001208947801 1050027612 /nfs/dbraw/zinc/02/76/12/1050027612.db2.gz DAEIYJURFZIXDV-PCCBWWKXSA-N 1 3 312.501 4.163 20 0 DIADHO C[N@H+](Cc1ccsc1)C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001208939913 1050028601 /nfs/dbraw/zinc/02/86/01/1050028601.db2.gz LGFGRSYABORIDL-SFHVURJKSA-N 1 3 314.498 4.092 20 0 DIADHO C[N@@H+](Cc1ccsc1)C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001208939913 1050028595 /nfs/dbraw/zinc/02/85/95/1050028595.db2.gz LGFGRSYABORIDL-SFHVURJKSA-N 1 3 314.498 4.092 20 0 DIADHO c1cc2ccc(C[N@H+]3CCCC[C@H]3CCN3CCCC3)cc2[nH]1 ZINC001209512675 1050064485 /nfs/dbraw/zinc/06/44/85/1050064485.db2.gz NRQWBVAISFZQPF-IBGZPJMESA-N 1 3 311.473 4.008 20 0 DIADHO c1cc2ccc(C[N@@H+]3CCCC[C@H]3CCN3CCCC3)cc2[nH]1 ZINC001209512675 1050064491 /nfs/dbraw/zinc/06/44/91/1050064491.db2.gz NRQWBVAISFZQPF-IBGZPJMESA-N 1 3 311.473 4.008 20 0 DIADHO C[C@@H](CSC(C)(C)C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000157532943 1050231470 /nfs/dbraw/zinc/23/14/70/1050231470.db2.gz DMAKNMLNLXNROG-HNNXBMFYSA-N 1 3 312.567 4.293 20 0 DIADHO C[C@@H](CSC(C)(C)C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000157532943 1050231482 /nfs/dbraw/zinc/23/14/82/1050231482.db2.gz DMAKNMLNLXNROG-HNNXBMFYSA-N 1 3 312.567 4.293 20 0 DIADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171093963 1050322342 /nfs/dbraw/zinc/32/23/42/1050322342.db2.gz JIYJXFFIIUCIID-QGZVFWFLSA-N 1 3 320.908 4.178 20 0 DIADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171096617 1050339086 /nfs/dbraw/zinc/33/90/86/1050339086.db2.gz UPUICNGJKDXDMN-BEFAXECRSA-N 1 3 320.908 4.051 20 0 DIADHO F[C@@H]1CCCC[C@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574690818 1050508646 /nfs/dbraw/zinc/50/86/46/1050508646.db2.gz KXNOKRPYHPPGBI-IPMKNSEASA-N 1 3 316.464 4.054 20 0 DIADHO F[C@@H]1CCCC[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574690818 1050508664 /nfs/dbraw/zinc/50/86/64/1050508664.db2.gz KXNOKRPYHPPGBI-IPMKNSEASA-N 1 3 316.464 4.054 20 0 DIADHO CC[N@@H+](C/C=C\Cl)CCCC1CCN(C/C=C/Cl)CC1 ZINC000766284724 1050917436 /nfs/dbraw/zinc/91/74/36/1050917436.db2.gz SKLNZGFTXVLOER-DHPVUTNOSA-N 1 3 319.320 4.306 20 0 DIADHO CC[N@H+](C/C=C\Cl)CCCC1CCN(C/C=C/Cl)CC1 ZINC000766284724 1050917455 /nfs/dbraw/zinc/91/74/55/1050917455.db2.gz SKLNZGFTXVLOER-DHPVUTNOSA-N 1 3 319.320 4.306 20 0 DIADHO CC(C)[N@@H+]1CC[C@@H](CNCc2ccccc2-c2ccccc2)C1 ZINC000742733875 1050929940 /nfs/dbraw/zinc/92/99/40/1050929940.db2.gz HSDYBLABUNVZOO-SFHVURJKSA-N 1 3 308.469 4.174 20 0 DIADHO CC(C)[N@H+]1CC[C@@H](CNCc2ccccc2-c2ccccc2)C1 ZINC000742733875 1050929951 /nfs/dbraw/zinc/92/99/51/1050929951.db2.gz HSDYBLABUNVZOO-SFHVURJKSA-N 1 3 308.469 4.174 20 0 DIADHO COc1ccc([C@@H](C)[NH2+]CC=C(C)C)cc1CN1CCCCC1 ZINC000790696445 1050986928 /nfs/dbraw/zinc/98/69/28/1050986928.db2.gz FYMFYWULWDJZPV-QGZVFWFLSA-N 1 3 316.489 4.298 20 0 DIADHO CC[N@H+](Cc1ccccc1)C1CCN([C@@H]2CC[C@@H](C)C2)CC1 ZINC001170151634 1051036780 /nfs/dbraw/zinc/03/67/80/1051036780.db2.gz HUXVJLOMVQSCPV-YLJYHZDGSA-N 1 3 300.490 4.162 20 0 DIADHO CC[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CC[C@@H](C)C2)CC1 ZINC001170151634 1051036785 /nfs/dbraw/zinc/03/67/85/1051036785.db2.gz HUXVJLOMVQSCPV-YLJYHZDGSA-N 1 3 300.490 4.162 20 0 DIADHO CCC(CC)N1CCC([NH2+][C@H]2CCc3c(C)cccc3C2)CC1 ZINC001171560351 1051166416 /nfs/dbraw/zinc/16/64/16/1051166416.db2.gz RTPZLAPLSOQIDI-IBGZPJMESA-N 1 3 314.517 4.095 20 0 DIADHO Cc1ccccc1C(C)(C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171629731 1051173093 /nfs/dbraw/zinc/17/30/93/1051173093.db2.gz FKHIBUSOPULBIJ-UHFFFAOYSA-N 1 3 302.506 4.471 20 0 DIADHO C[C@@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)CCC1(F)F ZINC001171632238 1051175577 /nfs/dbraw/zinc/17/55/77/1051175577.db2.gz XXNLQHVENYRTNC-CYBMUJFWSA-N 1 3 302.453 4.005 20 0 DIADHO C[C@@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)CCC1(F)F ZINC001171632238 1051175583 /nfs/dbraw/zinc/17/55/83/1051175583.db2.gz XXNLQHVENYRTNC-CYBMUJFWSA-N 1 3 302.453 4.005 20 0 DIADHO CN1C(C)(C)CC([NH2+]C2CCC(C(F)(F)F)CC2)CC1(C)C ZINC001171619077 1051177570 /nfs/dbraw/zinc/17/75/70/1051177570.db2.gz GYRJUORIGWZRBC-UHFFFAOYSA-N 1 3 320.443 4.349 20 0 DIADHO CN1C(C)(C)CC([NH2+]C(C)(C)c2cccc(F)c2)CC1(C)C ZINC001171623047 1051179372 /nfs/dbraw/zinc/17/93/72/1051179372.db2.gz IQZRLDQJDFQMCP-UHFFFAOYSA-N 1 3 306.469 4.302 20 0 DIADHO COc1cccc(C(C)(C)[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)c1 ZINC001171626927 1051181856 /nfs/dbraw/zinc/18/18/56/1051181856.db2.gz HOLBGCXOKVIKJI-UHFFFAOYSA-N 1 3 318.505 4.171 20 0 DIADHO Cc1ccc(CC[C@H](C)N2CCC([NH3+])(CC3CCC3)CC2)cc1 ZINC001171666834 1051189932 /nfs/dbraw/zinc/18/99/32/1051189932.db2.gz QVPZJPWUNCSZGB-SFHVURJKSA-N 1 3 314.517 4.300 20 0 DIADHO C[C@H]1C[C@@H](CF)N([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171975748 1051265102 /nfs/dbraw/zinc/26/51/02/1051265102.db2.gz FEEWDXFCJWUJRI-WDSOQIARSA-N 1 3 318.480 4.110 20 0 DIADHO C[C@H]1C[C@@H](CF)N([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171975748 1051265115 /nfs/dbraw/zinc/26/51/15/1051265115.db2.gz FEEWDXFCJWUJRI-WDSOQIARSA-N 1 3 318.480 4.110 20 0 DIADHO CC1(C)C[C@@H](N2Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171978065 1051269424 /nfs/dbraw/zinc/26/94/24/1051269424.db2.gz WGNWJPAPUKZYNJ-NRFANRHFSA-N 1 3 320.480 4.445 20 0 DIADHO CC1(C)C[C@@H](N2Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC001171978065 1051269428 /nfs/dbraw/zinc/26/94/28/1051269428.db2.gz WGNWJPAPUKZYNJ-NRFANRHFSA-N 1 3 320.480 4.445 20 0 DIADHO CCC[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC001172111150 1051302101 /nfs/dbraw/zinc/30/21/01/1051302101.db2.gz QKRZEFKLZPIEJJ-AKHDSKFASA-N 1 3 304.453 4.272 20 0 DIADHO CCC[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001172111150 1051302107 /nfs/dbraw/zinc/30/21/07/1051302107.db2.gz QKRZEFKLZPIEJJ-AKHDSKFASA-N 1 3 304.453 4.272 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](c1cccc(F)c1)C1CCC1)C2 ZINC001172112457 1051302493 /nfs/dbraw/zinc/30/24/93/1051302493.db2.gz XCUDCSBLPPZMEG-YSTOQKLRSA-N 1 3 316.464 4.272 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](c1cccc(F)c1)C1CCC1)C2 ZINC001172112457 1051302497 /nfs/dbraw/zinc/30/24/97/1051302497.db2.gz XCUDCSBLPPZMEG-YSTOQKLRSA-N 1 3 316.464 4.272 20 0 DIADHO CC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(F)cc1F ZINC001172116320 1051304135 /nfs/dbraw/zinc/30/41/35/1051304135.db2.gz GVTMAILDJVKQMR-ZXFNITATSA-N 1 3 308.416 4.021 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cccc3sccc31)C2 ZINC001172118275 1051306402 /nfs/dbraw/zinc/30/64/02/1051306402.db2.gz QVSLQWDXLNZPPE-MUJYYYPQSA-N 1 3 300.471 4.006 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cccc3sccc31)C2 ZINC001172118275 1051306414 /nfs/dbraw/zinc/30/64/14/1051306414.db2.gz QVSLQWDXLNZPPE-MUJYYYPQSA-N 1 3 300.471 4.006 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1(c3cccc4ccccc43)CC1)C2 ZINC001172116043 1051307024 /nfs/dbraw/zinc/30/70/24/1051307024.db2.gz XJUPLVTVUHABJJ-REPLKXPHSA-N 1 3 320.480 4.434 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1(c3cccc4ccccc43)CC1)C2 ZINC001172116043 1051307036 /nfs/dbraw/zinc/30/70/36/1051307036.db2.gz XJUPLVTVUHABJJ-REPLKXPHSA-N 1 3 320.480 4.434 20 0 DIADHO CC(C)C[NH2+]Cc1ccc(Nc2ccc3c(c2)CN(C)CC3)cc1 ZINC001215765532 1051354792 /nfs/dbraw/zinc/35/47/92/1051354792.db2.gz ZBOLBQQMEDUANP-UHFFFAOYSA-N 1 3 323.484 4.164 20 0 DIADHO CCN1CCC[C@@H](C[NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC000746364990 1051383113 /nfs/dbraw/zinc/38/31/13/1051383113.db2.gz YPEIFWUDWFVWDW-SFHVURJKSA-N 1 3 308.469 4.175 20 0 DIADHO CC[N@@H+]1CCC[C@@H](CNCc2ccccc2-c2ccccc2)C1 ZINC000746364990 1051383120 /nfs/dbraw/zinc/38/31/20/1051383120.db2.gz YPEIFWUDWFVWDW-SFHVURJKSA-N 1 3 308.469 4.175 20 0 DIADHO CC[N@H+]1CCC[C@@H](CNCc2ccccc2-c2ccccc2)C1 ZINC000746364990 1051383126 /nfs/dbraw/zinc/38/31/26/1051383126.db2.gz YPEIFWUDWFVWDW-SFHVURJKSA-N 1 3 308.469 4.175 20 0 DIADHO CC(C)COCC[C@@H](C)[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172477542 1051402612 /nfs/dbraw/zinc/40/26/12/1051402612.db2.gz AWICQRNBMAIFBL-GOSISDBHSA-N 1 3 324.553 4.167 20 0 DIADHO CC(C)COCC[C@@H](C)[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172477542 1051402621 /nfs/dbraw/zinc/40/26/21/1051402621.db2.gz AWICQRNBMAIFBL-GOSISDBHSA-N 1 3 324.553 4.167 20 0 DIADHO c1ccc([C@@H]2CCC[C@H]([NH+]3CC4(C3)CCN(CC3CC3)C4)C2)cc1 ZINC001172539889 1051453950 /nfs/dbraw/zinc/45/39/50/1051453950.db2.gz DYFJSDUGGDXDRO-RTWAWAEBSA-N 1 3 324.512 4.131 20 0 DIADHO CCC(CC)N1CCC([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172716762 1051479911 /nfs/dbraw/zinc/47/99/11/1051479911.db2.gz OLDKKCAZCOMXOM-SFHVURJKSA-N 1 3 320.908 4.050 20 0 DIADHO CCC(CC)[NH+]1CCC(N[C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172716762 1051479921 /nfs/dbraw/zinc/47/99/21/1051479921.db2.gz OLDKKCAZCOMXOM-SFHVURJKSA-N 1 3 320.908 4.050 20 0 DIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](CC1CCC1)c1ccc(F)cc1)C2 ZINC001169116180 1051520293 /nfs/dbraw/zinc/52/02/93/1051520293.db2.gz OOZWESDCVAEHEB-YRPNKDGESA-N 1 3 316.464 4.272 20 0 DIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](CC1CCC1)c1ccc(F)cc1)C2 ZINC001169116180 1051520304 /nfs/dbraw/zinc/52/03/04/1051520304.db2.gz OOZWESDCVAEHEB-YRPNKDGESA-N 1 3 316.464 4.272 20 0 DIADHO CC[C@H](NC1CC[NH+](CC)CC1)c1cccc(C(F)(F)F)c1 ZINC001169237888 1051558766 /nfs/dbraw/zinc/55/87/66/1051558766.db2.gz BLXDGOVXZMHYES-INIZCTEOSA-N 1 3 314.395 4.230 20 0 DIADHO CC[NH+]1CCC(N[C@@H](CC2CCC2)c2cccc(F)c2)CC1 ZINC001169240888 1051563120 /nfs/dbraw/zinc/56/31/20/1051563120.db2.gz MSNQBPPHLLYDJH-IBGZPJMESA-N 1 3 304.453 4.131 20 0 DIADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccsc2)c1 ZINC000178203373 1051564328 /nfs/dbraw/zinc/56/43/28/1051564328.db2.gz LAYFXFFZWKQLFW-OAHLLOKOSA-N 1 3 302.487 4.441 20 0 DIADHO CC[NH+]1CCC(N2CCc3ccccc3[C@@H]2c2ccccc2)CC1 ZINC001169258795 1051564599 /nfs/dbraw/zinc/56/45/99/1051564599.db2.gz SDHMWGOECPYELP-QFIPXVFZSA-N 1 3 320.480 4.118 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001168456892 1051592271 /nfs/dbraw/zinc/59/22/71/1051592271.db2.gz ZIFDGJQIWYXCKE-JXFKEZNVSA-N 1 3 314.448 4.039 20 0 DIADHO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccc(Cl)c(Cl)c1 ZINC000256049223 1051618415 /nfs/dbraw/zinc/61/84/15/1051618415.db2.gz YYCBATNHNWCKMI-ZRJCITRHSA-N 1 3 313.272 4.269 20 0 DIADHO CCc1ccc(C[C@@H](C)N2CCC([NH3+])(CC3CCC3)CC2)cc1 ZINC001173248821 1051652586 /nfs/dbraw/zinc/65/25/86/1051652586.db2.gz IKXLOZJAOHVNHY-QGZVFWFLSA-N 1 3 314.517 4.164 20 0 DIADHO Cc1ccc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)c(CN(C)C)c1 ZINC001169689512 1051673228 /nfs/dbraw/zinc/67/32/28/1051673228.db2.gz KDWLBJNWMPPVEY-LJQANCHMSA-N 1 3 323.484 4.297 20 0 DIADHO Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183199034 1051710624 /nfs/dbraw/zinc/71/06/24/1051710624.db2.gz UDQGIPUKWJDVFG-YQVWRLOYSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183199034 1051710636 /nfs/dbraw/zinc/71/06/36/1051710636.db2.gz UDQGIPUKWJDVFG-YQVWRLOYSA-N 1 3 300.490 4.299 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001168463592 1051800673 /nfs/dbraw/zinc/80/06/73/1051800673.db2.gz ABLMLWZHUJGHGC-INIZCTEOSA-N 1 3 318.480 4.143 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC001168463592 1051800702 /nfs/dbraw/zinc/80/07/02/1051800702.db2.gz ABLMLWZHUJGHGC-INIZCTEOSA-N 1 3 318.480 4.143 20 0 DIADHO C[C@H](Cc1cccc(F)c1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001168463594 1051801627 /nfs/dbraw/zinc/80/16/27/1051801627.db2.gz ABLMLWZHUJGHGC-MRXNPFEDSA-N 1 3 318.480 4.143 20 0 DIADHO C[C@H](Cc1cccc(F)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC001168463594 1051801639 /nfs/dbraw/zinc/80/16/39/1051801639.db2.gz ABLMLWZHUJGHGC-MRXNPFEDSA-N 1 3 318.480 4.143 20 0 DIADHO Cc1ccccc1[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000494890124 1052159132 /nfs/dbraw/zinc/15/91/32/1052159132.db2.gz MMMAJBWEHMOVGD-SFHLNBCPSA-N 1 3 312.501 4.443 20 0 DIADHO Cc1ccccc1[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000494890124 1052159140 /nfs/dbraw/zinc/15/91/40/1052159140.db2.gz MMMAJBWEHMOVGD-SFHLNBCPSA-N 1 3 312.501 4.443 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCCCC(F)(F)C2)CC1 ZINC000495016012 1052196960 /nfs/dbraw/zinc/19/69/60/1052196960.db2.gz IAXVMLGCSOFYNB-AWEZNQCLSA-N 1 3 302.453 4.055 20 0 DIADHO C[C@H](Cc1cccc(F)c1)[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001168492431 1052407046 /nfs/dbraw/zinc/40/70/46/1052407046.db2.gz RLPPFISNMUMMIE-YLJYHZDGSA-N 1 3 318.480 4.097 20 0 DIADHO C[C@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001168492431 1052407052 /nfs/dbraw/zinc/40/70/52/1052407052.db2.gz RLPPFISNMUMMIE-YLJYHZDGSA-N 1 3 318.480 4.097 20 0 DIADHO Cc1ccccc1-c1ccccc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222148723 1052450335 /nfs/dbraw/zinc/45/03/35/1052450335.db2.gz RNILIYIIOMHBJY-JOCHJYFZSA-N 1 3 320.480 4.238 20 0 DIADHO c1ccc2c(c1)oc1c2cccc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222149258 1052450705 /nfs/dbraw/zinc/45/07/05/1052450705.db2.gz WQJJTWJITOHMSX-NRFANRHFSA-N 1 3 320.436 4.162 20 0 DIADHO c1ccc(C(C[N@@H+]2CCC[C@]23CCCNC3)c2ccccc2)cc1 ZINC001222230881 1052465110 /nfs/dbraw/zinc/46/51/10/1052465110.db2.gz FXOSOCWACNCOHF-QFIPXVFZSA-N 1 3 320.480 4.037 20 0 DIADHO c1ccc(C(C[N@H+]2CCC[C@]23CCCNC3)c2ccccc2)cc1 ZINC001222230881 1052465115 /nfs/dbraw/zinc/46/51/15/1052465115.db2.gz FXOSOCWACNCOHF-QFIPXVFZSA-N 1 3 320.480 4.037 20 0 DIADHO CC(C)(C)C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000316903645 1052475003 /nfs/dbraw/zinc/47/50/03/1052475003.db2.gz ZOKBDVPKPMOWCV-QRVBRYPASA-N 1 3 300.490 4.380 20 0 DIADHO CC(C)(C)C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000316903645 1052475010 /nfs/dbraw/zinc/47/50/10/1052475010.db2.gz ZOKBDVPKPMOWCV-QRVBRYPASA-N 1 3 300.490 4.380 20 0 DIADHO CC(C)=CCCC1=CC[C@H](C[N@@H+]2CC[C@H]3CNCC[C@H]32)CC1 ZINC001222614370 1052518397 /nfs/dbraw/zinc/51/83/97/1052518397.db2.gz DLNWDQNBXMWYOW-SLFFLAALSA-N 1 3 302.506 4.143 20 0 DIADHO CC(C)=CCCC1=CC[C@H](C[N@H+]2CC[C@H]3CNCC[C@H]32)CC1 ZINC001222614370 1052518403 /nfs/dbraw/zinc/51/84/03/1052518403.db2.gz DLNWDQNBXMWYOW-SLFFLAALSA-N 1 3 302.506 4.143 20 0 DIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC/C=C/c1ccccc1 ZINC000398007158 1052561668 /nfs/dbraw/zinc/56/16/68/1052561668.db2.gz ZSOFFMWZFURAKI-FUSPUOGNSA-N 1 3 320.480 4.200 20 0 DIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC/C=C/c1ccccc1 ZINC000398007158 1052561672 /nfs/dbraw/zinc/56/16/72/1052561672.db2.gz ZSOFFMWZFURAKI-FUSPUOGNSA-N 1 3 320.480 4.200 20 0 DIADHO C[C@H](NCCC1CC[NH+](C)CC1)c1cc(Cl)sc1Cl ZINC000125358005 1052647921 /nfs/dbraw/zinc/64/79/21/1052647921.db2.gz AILOMLYMKIKDIT-JTQLQIEISA-N 1 3 321.317 4.437 20 0 DIADHO C[C@@H](NCC1CC[NH+](C)CC1)c1cc(Cl)sc1Cl ZINC000126266683 1052668380 /nfs/dbraw/zinc/66/83/80/1052668380.db2.gz LKIWUOFSXUGAHI-SECBINFHSA-N 1 3 307.290 4.047 20 0 DIADHO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000089512989 1053205510 /nfs/dbraw/zinc/20/55/10/1053205510.db2.gz MKILDLNYHBKXCP-ZDUSSCGKSA-N 1 3 323.550 4.488 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+]Cc2ccc(C(C)(C)C)s2)C1 ZINC001200243472 1053494317 /nfs/dbraw/zinc/49/43/17/1053494317.db2.gz IOWCIBFMLWTPQA-OAHLLOKOSA-N 1 3 308.535 4.256 20 0 DIADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccc(-c3ccccc3)o2)C1 ZINC001322631679 1053530250 /nfs/dbraw/zinc/53/02/50/1053530250.db2.gz BVGZMJTUJSTVKV-DLBZAZTESA-N 1 3 312.457 4.329 20 0 DIADHO CC(C)CC[C@@H]1CC[C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)C1 ZINC001200671382 1053873066 /nfs/dbraw/zinc/87/30/66/1053873066.db2.gz AIAZJXDPUIUVHR-HAGHYFMRSA-N 1 3 324.553 4.070 20 0 DIADHO CCC1(CC)CCC([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001200672906 1053873621 /nfs/dbraw/zinc/87/36/21/1053873621.db2.gz ULPFANGUHWZRFS-HDICACEKSA-N 1 3 324.553 4.214 20 0 DIADHO CC[NH+]1CCC(N(C)Cc2sc3scc(C)c3c2C)CC1 ZINC001231834805 1053887665 /nfs/dbraw/zinc/88/76/65/1053887665.db2.gz SXTBKVGHVWZCGW-UHFFFAOYSA-N 1 3 322.543 4.496 20 0 DIADHO CC(C)Sc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000158195328 1053894033 /nfs/dbraw/zinc/89/40/33/1053894033.db2.gz IFDGEIBFGBIVMD-HZPDHXFCSA-N 1 3 306.519 4.180 20 0 DIADHO CC(C)Sc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000158195328 1053894053 /nfs/dbraw/zinc/89/40/53/1053894053.db2.gz IFDGEIBFGBIVMD-HZPDHXFCSA-N 1 3 306.519 4.180 20 0 DIADHO CCN(Cc1ccc(F)cc1)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145657 1053971238 /nfs/dbraw/zinc/97/12/38/1053971238.db2.gz CQSAZUWYYAQVME-UHFFFAOYSA-N 1 3 318.411 4.049 20 0 DIADHO CCC[N@H+](Cc1ccccc1)Cc1cc(F)cc(CN(C)C)c1 ZINC001232147166 1053971360 /nfs/dbraw/zinc/97/13/60/1053971360.db2.gz KRNKWAYPJLHIDJ-UHFFFAOYSA-N 1 3 314.448 4.300 20 0 DIADHO CCC[N@@H+](Cc1ccccc1)Cc1cc(F)cc(CN(C)C)c1 ZINC001232147166 1053971369 /nfs/dbraw/zinc/97/13/69/1053971369.db2.gz KRNKWAYPJLHIDJ-UHFFFAOYSA-N 1 3 314.448 4.300 20 0 DIADHO C[C@H](CN[C@H](C)c1cccc(-c2ccncc2)c1)C[NH+]1CCCC1 ZINC000165342873 1054076447 /nfs/dbraw/zinc/07/64/47/1054076447.db2.gz ZIQTVSVPAKZSDJ-QZTJIDSGSA-N 1 3 323.484 4.131 20 0 DIADHO CC(C)Sc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000165352802 1054076620 /nfs/dbraw/zinc/07/66/20/1054076620.db2.gz XKMOJVSEIJLKGY-YQQAZPJKSA-N 1 3 306.519 4.320 20 0 DIADHO CC(C)Sc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000165352802 1054076634 /nfs/dbraw/zinc/07/66/34/1054076634.db2.gz XKMOJVSEIJLKGY-YQQAZPJKSA-N 1 3 306.519 4.320 20 0 DIADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC001333420923 1054153668 /nfs/dbraw/zinc/15/36/68/1054153668.db2.gz HJQMWGFWXUXQKH-OLZOCXBDSA-N 1 3 315.288 4.376 20 0 DIADHO Cc1cccc(-c2ccc(CN(C)C3CC[NH+](C)CC3)cc2)c1 ZINC001233224042 1054207062 /nfs/dbraw/zinc/20/70/62/1054207062.db2.gz YCTTVXWVYBUWHF-UHFFFAOYSA-N 1 3 308.469 4.188 20 0 DIADHO CN1CC[C@@H]([NH2+]C(c2ccccc2)c2ccccc2)CC1(C)C ZINC000623335352 1054561600 /nfs/dbraw/zinc/56/16/00/1054561600.db2.gz JOMWUERDPKWNQS-LJQANCHMSA-N 1 3 308.469 4.238 20 0 DIADHO Cc1sc2ccccc2c1CN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235045647 1054646301 /nfs/dbraw/zinc/64/63/01/1054646301.db2.gz LEWINJJPUQXVOZ-IBGZPJMESA-N 1 3 314.498 4.318 20 0 DIADHO c1cc(-c2ccccc2)sc1C[N@@H+]1CCCC12CCNCC2 ZINC001235140319 1054665499 /nfs/dbraw/zinc/66/54/99/1054665499.db2.gz JDZREXYQKMTNNA-UHFFFAOYSA-N 1 3 312.482 4.133 20 0 DIADHO c1cc(-c2ccccc2)sc1C[N@H+]1CCCC12CCNCC2 ZINC001235140319 1054665506 /nfs/dbraw/zinc/66/55/06/1054665506.db2.gz JDZREXYQKMTNNA-UHFFFAOYSA-N 1 3 312.482 4.133 20 0 DIADHO c1cc(-c2ccccc2)sc1CN1CCCC12CC[NH2+]CC2 ZINC001235140319 1054665509 /nfs/dbraw/zinc/66/55/09/1054665509.db2.gz JDZREXYQKMTNNA-UHFFFAOYSA-N 1 3 312.482 4.133 20 0 DIADHO c1ccc(C2(C[N@@H+]3CCCC[C@]34CCCNC4)CCCC2)cc1 ZINC001235171423 1054673807 /nfs/dbraw/zinc/67/38/07/1054673807.db2.gz JPXJTXGLPBXRFG-OAQYLSRUSA-N 1 3 312.501 4.107 20 0 DIADHO c1ccc(C2(C[N@H+]3CCCC[C@]34CCCNC4)CCCC2)cc1 ZINC001235171423 1054673810 /nfs/dbraw/zinc/67/38/10/1054673810.db2.gz JPXJTXGLPBXRFG-OAQYLSRUSA-N 1 3 312.501 4.107 20 0 DIADHO Clc1ccc([C@H]2C[C@@H]2C[N@@H+]2CCCCC23CCNCC3)cc1 ZINC001235191801 1054680367 /nfs/dbraw/zinc/68/03/67/1054680367.db2.gz ZEBKPACNXSWCSZ-SJLPKXTDSA-N 1 3 318.892 4.052 20 0 DIADHO Clc1ccc([C@H]2C[C@@H]2C[N@H+]2CCCCC23CCNCC3)cc1 ZINC001235191801 1054680372 /nfs/dbraw/zinc/68/03/72/1054680372.db2.gz ZEBKPACNXSWCSZ-SJLPKXTDSA-N 1 3 318.892 4.052 20 0 DIADHO Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2CCCCC23CCNCC3)cc1 ZINC001235191796 1054681865 /nfs/dbraw/zinc/68/18/65/1054681865.db2.gz ZEBKPACNXSWCSZ-AEFFLSMTSA-N 1 3 318.892 4.052 20 0 DIADHO Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2CCCCC23CCNCC3)cc1 ZINC001235191796 1054681873 /nfs/dbraw/zinc/68/18/73/1054681873.db2.gz ZEBKPACNXSWCSZ-AEFFLSMTSA-N 1 3 318.892 4.052 20 0 DIADHO Cc1ccc(C[N@@H+]2CCCCC23CCNCC3)c2ccccc12 ZINC001235191282 1054682183 /nfs/dbraw/zinc/68/21/83/1054682183.db2.gz RKVAREMOPBHDQD-UHFFFAOYSA-N 1 3 308.469 4.256 20 0 DIADHO Cc1ccc(C[N@H+]2CCCCC23CCNCC3)c2ccccc12 ZINC001235191282 1054682185 /nfs/dbraw/zinc/68/21/85/1054682185.db2.gz RKVAREMOPBHDQD-UHFFFAOYSA-N 1 3 308.469 4.256 20 0 DIADHO Cc1ccc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)c(Cl)c1 ZINC001235230667 1054686630 /nfs/dbraw/zinc/68/66/30/1054686630.db2.gz WNDYYMMEATUULK-GOSISDBHSA-N 1 3 306.881 4.003 20 0 DIADHO Cc1cc(Cl)cc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235237832 1054690624 /nfs/dbraw/zinc/69/06/24/1054690624.db2.gz MVPJDHDPLQPJEV-GOSISDBHSA-N 1 3 306.881 4.003 20 0 DIADHO Cc1ccc(-c2cccc(C[NH+]3CCC4(CN(C)C4)CC3)c2)cc1 ZINC001235319676 1054701258 /nfs/dbraw/zinc/70/12/58/1054701258.db2.gz JAYFSTCDLHWYAQ-UHFFFAOYSA-N 1 3 320.480 4.190 20 0 DIADHO CN(Cc1cc(Cl)cc(Cl)c1Cl)CC1CC[NH2+]CC1 ZINC001235433037 1054717679 /nfs/dbraw/zinc/71/76/79/1054717679.db2.gz FHQCQZJKZKHMIN-UHFFFAOYSA-N 1 3 321.679 4.078 20 0 DIADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2ccccc2c1 ZINC000623785009 1054760864 /nfs/dbraw/zinc/76/08/64/1054760864.db2.gz SWSQTRQEQBOKFX-SFTDATJTSA-N 1 3 322.496 4.334 20 0 DIADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2ccccc2c1 ZINC000623785009 1054760882 /nfs/dbraw/zinc/76/08/82/1054760882.db2.gz SWSQTRQEQBOKFX-SFTDATJTSA-N 1 3 322.496 4.334 20 0 DIADHO [NH3+]Cc1cccc(CN2CCC[C@@H]2c2ccccc2Cl)c1 ZINC001235693601 1054781138 /nfs/dbraw/zinc/78/11/38/1054781138.db2.gz DNPRLTOOKQPPID-GOSISDBHSA-N 1 3 300.833 4.136 20 0 DIADHO CC1(C)CCC(c2ccc(CN3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC001235748652 1054798973 /nfs/dbraw/zinc/79/89/73/1054798973.db2.gz DBDKWNSDSLTKAV-QGZVFWFLSA-N 1 3 300.490 4.151 20 0 DIADHO CCN(Cc1c2ccccc2[nH]c1C(C)(C)C)C1CC[NH2+]CC1 ZINC001235760612 1054800894 /nfs/dbraw/zinc/80/08/94/1054800894.db2.gz GMWJRYFJAMVSCO-UHFFFAOYSA-N 1 3 313.489 4.039 20 0 DIADHO CC[N@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)C1CCNCC1 ZINC001235760612 1054800898 /nfs/dbraw/zinc/80/08/98/1054800898.db2.gz GMWJRYFJAMVSCO-UHFFFAOYSA-N 1 3 313.489 4.039 20 0 DIADHO CC[N@@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)C1CCNCC1 ZINC001235760612 1054800905 /nfs/dbraw/zinc/80/09/05/1054800905.db2.gz GMWJRYFJAMVSCO-UHFFFAOYSA-N 1 3 313.489 4.039 20 0 DIADHO Cc1cc(CN2CCC[C@H]2CC[NH3+])ccc1Oc1ccccc1 ZINC001235925336 1054848072 /nfs/dbraw/zinc/84/80/72/1054848072.db2.gz IHEDHKCCGZLQLA-SFHVURJKSA-N 1 3 310.441 4.101 20 0 DIADHO Cc1ccc(Oc2cccc(CN3CCC[C@H]3CC[NH3+])c2)cc1 ZINC001235925139 1054848547 /nfs/dbraw/zinc/84/85/47/1054848547.db2.gz CMNXBFQHOZBLHM-SFHVURJKSA-N 1 3 310.441 4.101 20 0 DIADHO CN(Cc1cccc2c3ccccc3sc21)C[C@H]1CCC[NH2+]C1 ZINC001235950355 1054865987 /nfs/dbraw/zinc/86/59/87/1054865987.db2.gz BTGJKPUTZBGDPP-HNNXBMFYSA-N 1 3 324.493 4.486 20 0 DIADHO CN(Cc1cccc2c3ccccc3oc21)C[C@H]1CCC[NH2+]C1 ZINC001235950648 1054867067 /nfs/dbraw/zinc/86/70/67/1054867067.db2.gz KGLRQZSOYOSWIU-HNNXBMFYSA-N 1 3 308.425 4.017 20 0 DIADHO Cc1cc(C[N@@H+]2C[C@H]3CC[C@@]3(N)C2)cc(C)c1-c1ccc(F)cc1 ZINC001235989023 1054882289 /nfs/dbraw/zinc/88/22/89/1054882289.db2.gz BOAPPUYQQFHZBC-WIYYLYMNSA-N 1 3 324.443 4.033 20 0 DIADHO Cc1cc(C[N@H+]2C[C@H]3CC[C@@]3(N)C2)cc(C)c1-c1ccc(F)cc1 ZINC001235989023 1054882300 /nfs/dbraw/zinc/88/23/00/1054882300.db2.gz BOAPPUYQQFHZBC-WIYYLYMNSA-N 1 3 324.443 4.033 20 0 DIADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(C(F)(F)F)c1 ZINC000624119754 1054883497 /nfs/dbraw/zinc/88/34/97/1054883497.db2.gz IWBWSSHDSOFLFM-KBPBESRZSA-N 1 3 314.395 4.088 20 0 DIADHO CCSc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624121707 1054884146 /nfs/dbraw/zinc/88/41/46/1054884146.db2.gz BKNSAFLIYJCMSE-HOTGVXAUSA-N 1 3 306.519 4.181 20 0 DIADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(-c2ccncc2)cc1 ZINC000624121165 1054884926 /nfs/dbraw/zinc/88/49/26/1054884926.db2.gz PMJUQUDFKBNKSM-MSOLQXFVSA-N 1 3 323.484 4.131 20 0 DIADHO C[C@@H]1C[C@@H](N)C[N@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001236046367 1054913254 /nfs/dbraw/zinc/91/32/54/1054913254.db2.gz GBBOMCHLAFRART-UKRRQHHQSA-N 1 3 310.466 4.224 20 0 DIADHO C[C@@H]1C[C@@H](N)C[N@@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001236046367 1054913260 /nfs/dbraw/zinc/91/32/60/1054913260.db2.gz GBBOMCHLAFRART-UKRRQHHQSA-N 1 3 310.466 4.224 20 0 DIADHO C[NH2+]C[C@H]1CCN(Cc2cccc3c4ccccc4sc32)C1 ZINC001236066295 1054923214 /nfs/dbraw/zinc/92/32/14/1054923214.db2.gz GYDDPNMTGDMLBR-CQSZACIVSA-N 1 3 310.466 4.096 20 0 DIADHO C[N@H+](Cc1cccc(-c2ccsc2)c1)[C@H]1CCCC[C@@H]1N ZINC001236217585 1055003857 /nfs/dbraw/zinc/00/38/57/1055003857.db2.gz PFYXVDUEKROUID-ROUUACIJSA-N 1 3 300.471 4.117 20 0 DIADHO C[N@@H+](Cc1cccc(-c2ccsc2)c1)[C@H]1CCCC[C@@H]1N ZINC001236217585 1055003872 /nfs/dbraw/zinc/00/38/72/1055003872.db2.gz PFYXVDUEKROUID-ROUUACIJSA-N 1 3 300.471 4.117 20 0 DIADHO C[N@H+](Cc1cccc(-c2ccsc2)c1)[C@H]1CCCC[C@H]1N ZINC001236217582 1055004399 /nfs/dbraw/zinc/00/43/99/1055004399.db2.gz PFYXVDUEKROUID-MSOLQXFVSA-N 1 3 300.471 4.117 20 0 DIADHO C[N@@H+](Cc1cccc(-c2ccsc2)c1)[C@H]1CCCC[C@H]1N ZINC001236217582 1055004414 /nfs/dbraw/zinc/00/44/14/1055004414.db2.gz PFYXVDUEKROUID-MSOLQXFVSA-N 1 3 300.471 4.117 20 0 DIADHO Cc1csc2sc(C[N@@H+](C)[C@@H]3CCCC[C@H]3N)c(C)c12 ZINC001236219465 1055009882 /nfs/dbraw/zinc/00/98/82/1055009882.db2.gz WOMJRZQNLVCXLJ-CHWSQXEVSA-N 1 3 308.516 4.281 20 0 DIADHO Cc1csc2sc(C[N@H+](C)[C@@H]3CCCC[C@H]3N)c(C)c12 ZINC001236219465 1055009897 /nfs/dbraw/zinc/00/98/97/1055009897.db2.gz WOMJRZQNLVCXLJ-CHWSQXEVSA-N 1 3 308.516 4.281 20 0 DIADHO Cc1ccc(CN(C)[C@H]2CC[C@H]([NH3+])CC2)c(Cl)c1Cl ZINC001236223209 1055012265 /nfs/dbraw/zinc/01/22/65/1055012265.db2.gz LTXGATSNIPXADX-JOCQHMNTSA-N 1 3 301.261 4.004 20 0 DIADHO CN(Cc1c2ccccc2[nH]c1C(C)(C)C)C1(C)CC[NH2+]CC1 ZINC001236226657 1055018059 /nfs/dbraw/zinc/01/80/59/1055018059.db2.gz QQVZMXQXISAUHK-UHFFFAOYSA-N 1 3 313.489 4.039 20 0 DIADHO C[N@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)C1(C)CCNCC1 ZINC001236226657 1055018076 /nfs/dbraw/zinc/01/80/76/1055018076.db2.gz QQVZMXQXISAUHK-UHFFFAOYSA-N 1 3 313.489 4.039 20 0 DIADHO C[N@@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)C1(C)CCNCC1 ZINC001236226657 1055018090 /nfs/dbraw/zinc/01/80/90/1055018090.db2.gz QQVZMXQXISAUHK-UHFFFAOYSA-N 1 3 313.489 4.039 20 0 DIADHO CN(Cc1ccc(F)c(-c2ccccc2)c1)C1(C)CC[NH2+]CC1 ZINC001236228566 1055019056 /nfs/dbraw/zinc/01/90/56/1055019056.db2.gz WJDHUBPBDHDVRE-UHFFFAOYSA-N 1 3 312.432 4.067 20 0 DIADHO c1ccc2c(c1)sc1c2cccc1CN1CCC[NH2+]CCC1 ZINC001236239080 1055026237 /nfs/dbraw/zinc/02/62/37/1055026237.db2.gz DDSSDGQCCJCWGW-UHFFFAOYSA-N 1 3 310.466 4.240 20 0 DIADHO [NH3+][C@@H]1CCc2ccc(-c3ccc(CN4CCCCC4)c(F)c3)cc21 ZINC001236257426 1055038992 /nfs/dbraw/zinc/03/89/92/1055038992.db2.gz DOAHMONEFHCBTA-OAQYLSRUSA-N 1 3 324.443 4.425 20 0 DIADHO FC1(F)CCC(C[N@H+](C[C@H]2CCCNC2)C2CCCC2)CC1 ZINC001236371267 1055079722 /nfs/dbraw/zinc/07/97/22/1055079722.db2.gz JJTWLEBZGGNTSI-INIZCTEOSA-N 1 3 314.464 4.056 20 0 DIADHO FC1(F)CCC(C[N@@H+](C[C@H]2CCCNC2)C2CCCC2)CC1 ZINC001236371267 1055079733 /nfs/dbraw/zinc/07/97/33/1055079733.db2.gz JJTWLEBZGGNTSI-INIZCTEOSA-N 1 3 314.464 4.056 20 0 DIADHO Cc1cc(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)cc(F)c1F ZINC001236374119 1055080345 /nfs/dbraw/zinc/08/03/45/1055080345.db2.gz BKXSGEMSPUELNH-HNNXBMFYSA-N 1 3 322.443 4.017 20 0 DIADHO c1ccc(C2CC2)c(C[N@@H+](C[C@H]2CCCNC2)C2CCCC2)c1 ZINC001236374690 1055081302 /nfs/dbraw/zinc/08/13/02/1055081302.db2.gz SKMCAKQHDCVGCH-KRWDZBQOSA-N 1 3 312.501 4.308 20 0 DIADHO c1ccc(C2CC2)c(C[N@H+](C[C@H]2CCCNC2)C2CCCC2)c1 ZINC001236374690 1055081318 /nfs/dbraw/zinc/08/13/18/1055081318.db2.gz SKMCAKQHDCVGCH-KRWDZBQOSA-N 1 3 312.501 4.308 20 0 DIADHO Fc1ccc(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1Cl ZINC001236375127 1055082025 /nfs/dbraw/zinc/08/20/25/1055082025.db2.gz XAGAWTPQRPEGBP-HNNXBMFYSA-N 1 3 324.871 4.223 20 0 DIADHO Cc1ccc(C[N@H+](C[C@@H]2CCCNC2)C2CCCC2)c(C)c1 ZINC001236374416 1055082408 /nfs/dbraw/zinc/08/24/08/1055082408.db2.gz RBLZUISXWIRBFO-GOSISDBHSA-N 1 3 300.490 4.048 20 0 DIADHO Cc1ccc(C[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)c(C)c1 ZINC001236374416 1055082418 /nfs/dbraw/zinc/08/24/18/1055082418.db2.gz RBLZUISXWIRBFO-GOSISDBHSA-N 1 3 300.490 4.048 20 0 DIADHO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185667174 1055094488 /nfs/dbraw/zinc/09/44/88/1055094488.db2.gz BZZDHYGIZVKXJY-ZHALLVOQSA-N 1 3 300.490 4.033 20 0 DIADHO C[C@@H](NCCSc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185681790 1055094755 /nfs/dbraw/zinc/09/47/55/1055094755.db2.gz SNQRUZMWXUMVIR-IAGOWNOFSA-N 1 3 318.530 4.021 20 0 DIADHO C[C@@H](NCCSc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185681790 1055094767 /nfs/dbraw/zinc/09/47/67/1055094767.db2.gz SNQRUZMWXUMVIR-IAGOWNOFSA-N 1 3 318.530 4.021 20 0 DIADHO C[C@@H]([NH2+]CCc1ccccc1Cl)[C@@H]1CCCN(C2CCC2)C1 ZINC000185724199 1055096869 /nfs/dbraw/zinc/09/68/69/1055096869.db2.gz XFSVBNHXSGBQIZ-NVXWUHKLSA-N 1 3 320.908 4.125 20 0 DIADHO C[C@@H]1[C@@H](N)CCC[N@@H+]1Cc1cccc2c3ccccc3sc21 ZINC001236420836 1055105529 /nfs/dbraw/zinc/10/55/29/1055105529.db2.gz ONNSMMPYTFVNNG-DYVFJYSZSA-N 1 3 310.466 4.366 20 0 DIADHO C[C@@H]1[C@@H](N)CCC[N@H+]1Cc1cccc2c3ccccc3sc21 ZINC001236420836 1055105532 /nfs/dbraw/zinc/10/55/32/1055105532.db2.gz ONNSMMPYTFVNNG-DYVFJYSZSA-N 1 3 310.466 4.366 20 0 DIADHO CC(C)C[NH2+]Cc1ccc(-c2ccc3c(N)ccnc3c2)cc1 ZINC001236445478 1055116267 /nfs/dbraw/zinc/11/62/67/1055116267.db2.gz DKWXWNVFDIXMMA-UHFFFAOYSA-N 1 3 305.425 4.230 20 0 DIADHO Clc1ccc(C[N@H+](C[C@@H]2CC=CCC2)C2CCNCC2)cc1 ZINC001236454236 1055122513 /nfs/dbraw/zinc/12/25/13/1055122513.db2.gz XBDKGMNHYLYQQI-MRXNPFEDSA-N 1 3 318.892 4.250 20 0 DIADHO Clc1ccc(C[N@@H+](C[C@@H]2CC=CCC2)C2CCNCC2)cc1 ZINC001236454236 1055122517 /nfs/dbraw/zinc/12/25/17/1055122517.db2.gz XBDKGMNHYLYQQI-MRXNPFEDSA-N 1 3 318.892 4.250 20 0 DIADHO CC(C)c1cccc(C[N@H+](CC(C)(C)C)C2CCNCC2)c1 ZINC001236459427 1055127262 /nfs/dbraw/zinc/12/72/62/1055127262.db2.gz NXYNSKLTVXRXOD-UHFFFAOYSA-N 1 3 302.506 4.410 20 0 DIADHO CC(C)c1cccc(C[N@@H+](CC(C)(C)C)C2CCNCC2)c1 ZINC001236459427 1055127267 /nfs/dbraw/zinc/12/72/67/1055127267.db2.gz NXYNSKLTVXRXOD-UHFFFAOYSA-N 1 3 302.506 4.410 20 0 DIADHO CCC(CC)C[N@H+](Cc1cc(C)cc(F)c1)C1CCNCC1 ZINC001236481036 1055138394 /nfs/dbraw/zinc/13/83/94/1055138394.db2.gz MOPHSZJXWGNUMB-UHFFFAOYSA-N 1 3 306.469 4.124 20 0 DIADHO CCC(CC)C[N@@H+](Cc1cc(C)cc(F)c1)C1CCNCC1 ZINC001236481036 1055138401 /nfs/dbraw/zinc/13/84/01/1055138401.db2.gz MOPHSZJXWGNUMB-UHFFFAOYSA-N 1 3 306.469 4.124 20 0 DIADHO CCC(CC)CN(Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236481036 1055138407 /nfs/dbraw/zinc/13/84/07/1055138407.db2.gz MOPHSZJXWGNUMB-UHFFFAOYSA-N 1 3 306.469 4.124 20 0 DIADHO Cc1cc(F)cc(CN(CCC2CCCC2)C2CC[NH2+]CC2)c1 ZINC001236481320 1055139208 /nfs/dbraw/zinc/13/92/08/1055139208.db2.gz QPONLAOLFSWIPM-UHFFFAOYSA-N 1 3 318.480 4.268 20 0 DIADHO Cc1ccc(F)cc1C[N@H+](CC1CCCCC1)C1CCNCC1 ZINC001236509487 1055152879 /nfs/dbraw/zinc/15/28/79/1055152879.db2.gz OUILMJUWMGHOKQ-UHFFFAOYSA-N 1 3 318.480 4.268 20 0 DIADHO Cc1ccc(F)cc1C[N@@H+](CC1CCCCC1)C1CCNCC1 ZINC001236509487 1055152882 /nfs/dbraw/zinc/15/28/82/1055152882.db2.gz OUILMJUWMGHOKQ-UHFFFAOYSA-N 1 3 318.480 4.268 20 0 DIADHO CC/C=C\CCCN(Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236508786 1055152930 /nfs/dbraw/zinc/15/29/30/1055152930.db2.gz AIWPSCVQKYQAOK-PLNGDYQASA-N 1 3 318.480 4.435 20 0 DIADHO CC/C=C\CCC[N@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001236508786 1055152937 /nfs/dbraw/zinc/15/29/37/1055152937.db2.gz AIWPSCVQKYQAOK-PLNGDYQASA-N 1 3 318.480 4.435 20 0 DIADHO CC/C=C\CCC[N@@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001236508786 1055152940 /nfs/dbraw/zinc/15/29/40/1055152940.db2.gz AIWPSCVQKYQAOK-PLNGDYQASA-N 1 3 318.480 4.435 20 0 DIADHO Cc1cc(F)ccc1C[N@H+](CCC(C)(C)C)C1CCNCC1 ZINC001236518682 1055157690 /nfs/dbraw/zinc/15/76/90/1055157690.db2.gz SZEMBSBZONVCNG-UHFFFAOYSA-N 1 3 306.469 4.124 20 0 DIADHO Cc1cc(F)ccc1C[N@@H+](CCC(C)(C)C)C1CCNCC1 ZINC001236518682 1055157698 /nfs/dbraw/zinc/15/76/98/1055157698.db2.gz SZEMBSBZONVCNG-UHFFFAOYSA-N 1 3 306.469 4.124 20 0 DIADHO Cc1cc(F)ccc1CN(CCC(C)(C)C)C1CC[NH2+]CC1 ZINC001236518682 1055157704 /nfs/dbraw/zinc/15/77/04/1055157704.db2.gz SZEMBSBZONVCNG-UHFFFAOYSA-N 1 3 306.469 4.124 20 0 DIADHO C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000381982989 1055195260 /nfs/dbraw/zinc/19/52/60/1055195260.db2.gz NJURHLPIJIILJH-MISYRCLQSA-N 1 3 300.490 4.067 20 0 DIADHO Cc1sc2ccccc2c1C[N@H+](C1CCC1)C1CCNCC1 ZINC001236636830 1055209469 /nfs/dbraw/zinc/20/94/69/1055209469.db2.gz JULOAZZZNBUAAA-UHFFFAOYSA-N 1 3 314.498 4.316 20 0 DIADHO Cc1sc2ccccc2c1C[N@@H+](C1CCC1)C1CCNCC1 ZINC001236636830 1055209473 /nfs/dbraw/zinc/20/94/73/1055209473.db2.gz JULOAZZZNBUAAA-UHFFFAOYSA-N 1 3 314.498 4.316 20 0 DIADHO Cc1sc2ccccc2c1CN(C1CCC1)C1CC[NH2+]CC1 ZINC001236636830 1055209480 /nfs/dbraw/zinc/20/94/80/1055209480.db2.gz JULOAZZZNBUAAA-UHFFFAOYSA-N 1 3 314.498 4.316 20 0 DIADHO Cc1cc(CN(C2CCC2)C2CC[NH2+]CC2)cc(C)c1Cl ZINC001236645875 1055211529 /nfs/dbraw/zinc/21/15/29/1055211529.db2.gz BYIPNYQXAUHLOP-UHFFFAOYSA-N 1 3 306.881 4.063 20 0 DIADHO Cc1cc(C[N@H+](C2CCC2)C2CCNCC2)cc(C)c1Cl ZINC001236645875 1055211538 /nfs/dbraw/zinc/21/15/38/1055211538.db2.gz BYIPNYQXAUHLOP-UHFFFAOYSA-N 1 3 306.881 4.063 20 0 DIADHO Cc1cc(C[N@@H+](C2CCC2)C2CCNCC2)cc(C)c1Cl ZINC001236645875 1055211549 /nfs/dbraw/zinc/21/15/49/1055211549.db2.gz BYIPNYQXAUHLOP-UHFFFAOYSA-N 1 3 306.881 4.063 20 0 DIADHO CCCCCCc1csc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC001236826988 1055279239 /nfs/dbraw/zinc/27/92/39/1055279239.db2.gz DNPXZOZCUDGQDQ-CGTJXYLNSA-N 1 3 306.519 4.040 20 0 DIADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc4sc5ccccc5c4c3)C[C@@H]12 ZINC001236827868 1055281867 /nfs/dbraw/zinc/28/18/67/1055281867.db2.gz HCXKJVSXXSUTDG-ZTFGCOKTSA-N 1 3 322.477 4.224 20 0 DIADHO CCCCCOc1ccc(CN(CCC)C[C@H]2CC[NH2+]C2)cc1 ZINC001236834921 1055284517 /nfs/dbraw/zinc/28/45/17/1055284517.db2.gz KPUKDLVFZDWHNH-IBGZPJMESA-N 1 3 318.505 4.077 20 0 DIADHO CCCN(Cc1ccc(Cl)c(C(C)C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236842375 1055288248 /nfs/dbraw/zinc/28/82/48/1055288248.db2.gz FLISSHLHCNAVMC-MRXNPFEDSA-N 1 3 308.897 4.285 20 0 DIADHO C[C@H](NC/C=C/c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383944344 1055309503 /nfs/dbraw/zinc/30/95/03/1055309503.db2.gz VQHYBIOYLBHOTP-NJEHNGEPSA-N 1 3 320.480 4.200 20 0 DIADHO C[C@H](NC/C=C/c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383944344 1055309520 /nfs/dbraw/zinc/30/95/20/1055309520.db2.gz VQHYBIOYLBHOTP-NJEHNGEPSA-N 1 3 320.480 4.200 20 0 DIADHO C[C@H]([NH2+]C/C=C/c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000383944344 1055309535 /nfs/dbraw/zinc/30/95/35/1055309535.db2.gz VQHYBIOYLBHOTP-NJEHNGEPSA-N 1 3 320.480 4.200 20 0 DIADHO FC(F)c1cccc(CN2CCC(CC3CC[NH2+]CC3)CC2)c1 ZINC001236946680 1055317554 /nfs/dbraw/zinc/31/75/54/1055317554.db2.gz DQGWDOINYHMELK-UHFFFAOYSA-N 1 3 322.443 4.226 20 0 DIADHO c1sc2ccccc2c1C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC001236947773 1055318311 /nfs/dbraw/zinc/31/83/11/1055318311.db2.gz BNLNOAOOBZZUDE-HNNXBMFYSA-N 1 3 314.498 4.080 20 0 DIADHO C[C@@]1(C[NH3+])CCCN(Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001237082287 1055363813 /nfs/dbraw/zinc/36/38/13/1055363813.db2.gz OSWGOQLYKQLDAN-FQEVSTJZSA-N 1 3 312.432 4.054 20 0 DIADHO Cc1ccc(-c2cccc(CN3CCC[C@](C)(C[NH3+])C3)c2)cc1 ZINC001237081813 1055364257 /nfs/dbraw/zinc/36/42/57/1055364257.db2.gz MRGZWCYTDNJFEP-OAQYLSRUSA-N 1 3 308.469 4.223 20 0 DIADHO CC(C)c1cc(CN2CCC3(CC[C@@H]3[NH3+])CC2)ccc1Cl ZINC001237359036 1055438633 /nfs/dbraw/zinc/43/86/33/1055438633.db2.gz MKCWVTLANFXHAX-KRWDZBQOSA-N 1 3 306.881 4.167 20 0 DIADHO c1ccc2c(c1)C[NH2+]C21CCN(CCCC2CCCCC2)CC1 ZINC001237358931 1055438824 /nfs/dbraw/zinc/43/88/24/1055438824.db2.gz KXSRLYCIRMQETC-UHFFFAOYSA-N 1 3 312.501 4.441 20 0 DIADHO C[C@H](CN1CC[C@H]2[NH2+]CCC[C@H]2C1)c1cccc2ccccc21 ZINC001237380727 1055444789 /nfs/dbraw/zinc/44/47/89/1055444789.db2.gz HCVANNYESFRZEB-PLMTUMEDSA-N 1 3 308.469 4.017 20 0 DIADHO CCN1C[C@H]2C[NH+](Cc3cccc(-c4ccccc4)c3C)C[C@@H]2C1 ZINC001237587761 1055480158 /nfs/dbraw/zinc/48/01/58/1055480158.db2.gz IOWSGENLPAPPJB-SFTDATJTSA-N 1 3 320.480 4.046 20 0 DIADHO CN1CCC[C@]2(CCC[N@H+](CCCc3ccccc3Cl)C2)C1 ZINC001278135421 1055513155 /nfs/dbraw/zinc/51/31/55/1055513155.db2.gz RVVJXJLXPOAXHK-IBGZPJMESA-N 1 3 320.908 4.080 20 0 DIADHO CN1CCC[C@]2(CCC[N@@H+](CCCc3ccccc3Cl)C2)C1 ZINC001278135421 1055513164 /nfs/dbraw/zinc/51/31/64/1055513164.db2.gz RVVJXJLXPOAXHK-IBGZPJMESA-N 1 3 320.908 4.080 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)NCc1c(F)cccc1Cl ZINC000021517359 1055523331 /nfs/dbraw/zinc/52/33/31/1055523331.db2.gz VEPFHFQBGSXHEJ-ZDUSSCGKSA-N 1 3 300.849 4.079 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@@H+]3CC[C@H]4CCC[C@@H]4C3)cc21 ZINC001237875563 1055547217 /nfs/dbraw/zinc/54/72/17/1055547217.db2.gz APZDLNBREZTJRG-IEBWSBKVSA-N 1 3 310.485 4.310 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@H+]3CC[C@H]4CCC[C@@H]4C3)cc21 ZINC001237875563 1055547235 /nfs/dbraw/zinc/54/72/35/1055547235.db2.gz APZDLNBREZTJRG-IEBWSBKVSA-N 1 3 310.485 4.310 20 0 DIADHO CC(C)c1cc(CN2CCC(C[NH+](C)C)CC2)ccc1Cl ZINC001238227252 1055625773 /nfs/dbraw/zinc/62/57/73/1055625773.db2.gz GJODIKRUSWMIBV-UHFFFAOYSA-N 1 3 308.897 4.237 20 0 DIADHO Cc1c2cccc(Cl)c2sc1CN[C@@H](C)CC[NH+](C)C ZINC001620758104 1055930162 /nfs/dbraw/zinc/93/01/62/1055930162.db2.gz UVMBTLGTRIHHHH-NSHDSACASA-N 1 3 310.894 4.293 20 0 DIADHO CCN(CC)Cc1cccc(-c2ccccc2C[NH+](C)C)c1F ZINC001239685396 1056028063 /nfs/dbraw/zinc/02/80/63/1056028063.db2.gz JRCGWDBZXWUCDT-UHFFFAOYSA-N 1 3 314.448 4.396 20 0 DIADHO CCN(CC)Cc1cc(-c2ccccc2C[NH+](C)C)ccc1F ZINC001239685558 1056028574 /nfs/dbraw/zinc/02/85/74/1056028574.db2.gz RGXZYTFSEFVEGM-UHFFFAOYSA-N 1 3 314.448 4.396 20 0 DIADHO CN(C)/C=C/c1ccncc1-c1cccc(C[NH+]2CCCCC2)c1 ZINC001240174464 1056363168 /nfs/dbraw/zinc/36/31/68/1056363168.db2.gz MMVBNNPOFHHAFP-GXDHUFHOSA-N 1 3 321.468 4.267 20 0 DIADHO CC(C)C1=NCCc2ccc(-c3ccc4c(c3)CC[NH2+]C4)cc21 ZINC001240459332 1056520750 /nfs/dbraw/zinc/52/07/50/1056520750.db2.gz ZHFBCNUCSPVOGH-UHFFFAOYSA-N 1 3 304.437 4.001 20 0 DIADHO Cc1c(C)c(C)c(CN2CC[C@@H](C[NH+]3CCCC3)C2)c(C)c1C ZINC001615595967 1056542082 /nfs/dbraw/zinc/54/20/82/1056542082.db2.gz QMGPPICBWHRTCI-FQEVSTJZSA-N 1 3 314.517 4.146 20 0 DIADHO CC(C)COc1ccc(C(C)(C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC001616787027 1056717081 /nfs/dbraw/zinc/71/70/81/1056717081.db2.gz SCAAFTYJQAMDDB-GOSISDBHSA-N 1 3 318.505 4.030 20 0 DIADHO Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H](N)C2)c2ccccc12 ZINC001241006017 1056810706 /nfs/dbraw/zinc/81/07/06/1056810706.db2.gz BHNDYJVBTNBZLC-GOSISDBHSA-N 1 3 316.448 4.348 20 0 DIADHO Cc1ccc(-c2ccccc2C[N@H+]2CC[C@@H](N)C2)c2ccccc12 ZINC001241006017 1056810714 /nfs/dbraw/zinc/81/07/14/1056810714.db2.gz BHNDYJVBTNBZLC-GOSISDBHSA-N 1 3 316.448 4.348 20 0 DIADHO C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CCC(F)CC1 ZINC000657744180 1057011290 /nfs/dbraw/zinc/01/12/90/1057011290.db2.gz MTGWOWPKPWNUTI-KLAILNCOSA-N 1 3 310.501 4.290 20 0 DIADHO C1CC2(C1)C[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)CCS2 ZINC000922840990 1057067039 /nfs/dbraw/zinc/06/70/39/1057067039.db2.gz WPGJFXUNUFNTKN-QGZVFWFLSA-N 1 3 322.562 4.191 20 0 DIADHO C[NH2+]Cc1ccc(-c2ccc(F)c(CN3CCCCC3)c2)cc1 ZINC001242993583 1057539435 /nfs/dbraw/zinc/53/94/35/1057539435.db2.gz UGNKJZHOOQIBIJ-UHFFFAOYSA-N 1 3 312.432 4.198 20 0 DIADHO Cc1ccccc1[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000166796125 1057676436 /nfs/dbraw/zinc/67/64/36/1057676436.db2.gz OOVLEOOBXURJPB-SCTDSRPQSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccccc1[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000166796125 1057676439 /nfs/dbraw/zinc/67/64/39/1057676439.db2.gz OOVLEOOBXURJPB-SCTDSRPQSA-N 1 3 300.490 4.299 20 0 DIADHO CCN(CC)Cc1cc(-c2cccc(C[NH2+]C)c2F)ccc1F ZINC001244866063 1058060617 /nfs/dbraw/zinc/06/06/17/1058060617.db2.gz XXCJCMAFXFQDNT-UHFFFAOYSA-N 1 3 318.411 4.193 20 0 DIADHO CCCCCC1CCC(NC[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC001246110440 1058680064 /nfs/dbraw/zinc/68/00/64/1058680064.db2.gz IFECMGUULNGOMI-UYSNPLJNSA-N 1 3 320.443 4.257 20 0 DIADHO FC(F)(F)[C@]1(CNC2CCC3(CCCCC3)CC2)CC[NH2+]C1 ZINC001246114022 1058684850 /nfs/dbraw/zinc/68/48/50/1058684850.db2.gz ROZXSBCSHFRMGS-MRXNPFEDSA-N 1 3 318.427 4.011 20 0 DIADHO CC(C)[C@H]1C[C@H](NCCc2ccc(-c3ccccc3)cc2)CC[NH2+]1 ZINC001246162839 1058706371 /nfs/dbraw/zinc/70/63/71/1058706371.db2.gz IQMFAYUHVKUXDV-FGZHOGPDSA-N 1 3 322.496 4.262 20 0 DIADHO CC[C@@H]([NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246164189 1058709513 /nfs/dbraw/zinc/70/95/13/1058709513.db2.gz MNRBABVTBXPMIY-QHAWAJNXSA-N 1 3 308.469 4.091 20 0 DIADHO CC[C@@H]([NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246164186 1058710354 /nfs/dbraw/zinc/71/03/54/1058710354.db2.gz MNRBABVTBXPMIY-NJDAHSKKSA-N 1 3 308.469 4.091 20 0 DIADHO Cc1cccc([C@H](C)[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)c1 ZINC001246174045 1058714518 /nfs/dbraw/zinc/71/45/18/1058714518.db2.gz WLOUGVOESOKJPS-YYWHXJBOSA-N 1 3 308.469 4.009 20 0 DIADHO Cc1cccc([C@H](C)[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)c1 ZINC001246174042 1058714727 /nfs/dbraw/zinc/71/47/27/1058714727.db2.gz WLOUGVOESOKJPS-DZFGPLHGSA-N 1 3 308.469 4.009 20 0 DIADHO Cc1cc(F)ccc1[C@H]1C[C@@H](NC/C=C/c2ccccc2)CC[NH2+]1 ZINC001246177626 1058723243 /nfs/dbraw/zinc/72/32/43/1058723243.db2.gz CJGJSAXMAKZCSL-PIYBKPHJSA-N 1 3 324.443 4.230 20 0 DIADHO CC(C[NH2+][C@H]1CCNC(C)(C)C1)(c1ccccc1)c1ccccc1 ZINC001246178034 1058724423 /nfs/dbraw/zinc/72/44/23/1058724423.db2.gz FEYCIIVBVBRZLU-FQEVSTJZSA-N 1 3 322.496 4.113 20 0 DIADHO C=Cc1ccc(CN[C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)cc1 ZINC001246233814 1058756120 /nfs/dbraw/zinc/75/61/20/1058756120.db2.gz FFSKCOSSVKZZET-CTNGQTDRSA-N 1 3 324.443 4.360 20 0 DIADHO CC[C@@H]1C[C@H](NCCc2ccc3ccccc3c2)C[C@H](CC)[NH2+]1 ZINC001246232696 1058756322 /nfs/dbraw/zinc/75/63/22/1058756322.db2.gz IEXQUEFQZGIQMZ-AERCQKQUSA-N 1 3 310.485 4.281 20 0 DIADHO CC(C)(C)[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CCN1 ZINC001246236642 1058762330 /nfs/dbraw/zinc/76/23/30/1058762330.db2.gz XMSAPBYKOCRURN-IYWMVGAKSA-N 1 3 314.517 4.469 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H](NCC2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246238364 1058762512 /nfs/dbraw/zinc/76/25/12/1058762512.db2.gz LMIBXTZBZRQYJP-SJORKVTESA-N 1 3 320.908 4.128 20 0 DIADHO C[C@@H](Cc1ccc(Cl)cc1Cl)NCC[C@@H]1CCCC[NH2+]1 ZINC001246244090 1058765365 /nfs/dbraw/zinc/76/53/65/1058765365.db2.gz KKMABPVYVBFGBL-WFASDCNBSA-N 1 3 315.288 4.046 20 0 DIADHO C[C@H](Cc1ccc(Cl)cc1Cl)NCC[C@@H]1CCCC[NH2+]1 ZINC001246244082 1058765553 /nfs/dbraw/zinc/76/55/53/1058765553.db2.gz KKMABPVYVBFGBL-DOMZBBRYSA-N 1 3 315.288 4.046 20 0 DIADHO C[C@H](NC1CCC2(C[NH2+]C2)CC1)c1c(Cl)cccc1Cl ZINC001246252777 1058771217 /nfs/dbraw/zinc/77/12/17/1058771217.db2.gz IUJPKXGHWDJLRS-NSHDSACASA-N 1 3 313.272 4.176 20 0 DIADHO CC[C@@H](N[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1cccc(C)c1 ZINC001246268290 1058785248 /nfs/dbraw/zinc/78/52/48/1058785248.db2.gz OUFMBQOUCIQXRP-BHIFYINESA-N 1 3 322.496 4.399 20 0 DIADHO CC[C@@H]([NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1)c1cccc(C)c1 ZINC001246268290 1058785264 /nfs/dbraw/zinc/78/52/64/1058785264.db2.gz OUFMBQOUCIQXRP-BHIFYINESA-N 1 3 322.496 4.399 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CCN1 ZINC001246277855 1058796188 /nfs/dbraw/zinc/79/61/88/1058796188.db2.gz BOTFBSMXMJGLGA-FJBKBRRZSA-N 1 3 320.443 4.256 20 0 DIADHO C[C@H](N[C@@H]1CCC2(C1)CC[NH2+]CC2)c1c(F)cccc1Cl ZINC001246293468 1058806524 /nfs/dbraw/zinc/80/65/24/1058806524.db2.gz DJMMWYLFMZSPKJ-QWHCGFSZSA-N 1 3 310.844 4.052 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H](N[C@H](c2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246294562 1058806864 /nfs/dbraw/zinc/80/68/64/1058806864.db2.gz XHUXQWKQTKHOGT-CEXWTWQISA-N 1 3 300.490 4.284 20 0 DIADHO CCOc1cccc([C@@H](C)N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246294708 1058807150 /nfs/dbraw/zinc/80/71/50/1058807150.db2.gz HOMRITRQNVHFAO-BSIFCXSSSA-N 1 3 324.468 4.229 20 0 DIADHO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1C ZINC001246308725 1058817015 /nfs/dbraw/zinc/81/70/15/1058817015.db2.gz RWNGZAIDWDFEDQ-BWAGFHJFSA-N 1 3 322.496 4.317 20 0 DIADHO CC[C@@H](N[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccccc1C ZINC001246315888 1058825043 /nfs/dbraw/zinc/82/50/43/1058825043.db2.gz XDFBJAHJKRAVNP-TUNNFDKTSA-N 1 3 322.496 4.399 20 0 DIADHO CC[C@@H]([NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1)c1ccccc1C ZINC001246315888 1058825050 /nfs/dbraw/zinc/82/50/50/1058825050.db2.gz XDFBJAHJKRAVNP-TUNNFDKTSA-N 1 3 322.496 4.399 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001246324528 1058835335 /nfs/dbraw/zinc/83/53/35/1058835335.db2.gz HMVHYIVWHSVUGD-NJNPRVFISA-N 1 3 322.496 4.327 20 0 DIADHO C[C@@H](CC(C)(C)SCc1ccco1)N[C@H]1C[NH2+]CCC1(C)C ZINC001246324792 1058836013 /nfs/dbraw/zinc/83/60/13/1058836013.db2.gz GKLKUECVLRALBR-HOCLYGCPSA-N 1 3 324.534 4.048 20 0 DIADHO CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246326518 1058838808 /nfs/dbraw/zinc/83/88/08/1058838808.db2.gz PTYCUMIMYIOEMN-CQDKDKBSSA-N 1 3 315.288 4.045 20 0 DIADHO C[C@H]1C[C@@H](NC2(c3ccc(F)cc3)CC[NH2+]CC2)CC(C)(C)C1 ZINC001246335040 1058843234 /nfs/dbraw/zinc/84/32/34/1058843234.db2.gz GGPHLOVEERIXME-MAUKXSAKSA-N 1 3 318.480 4.209 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246331119 1058844982 /nfs/dbraw/zinc/84/49/82/1058844982.db2.gz HSZRNKPALBFPMK-VNTMZGSJSA-N 1 3 300.490 4.051 20 0 DIADHO C[C@H]1CCC[C@@H](NC2(c3ccc(Cl)cc3)CC[NH2+]CC2)C1 ZINC001246339921 1058845650 /nfs/dbraw/zinc/84/56/50/1058845650.db2.gz GYGDMPUMLRRCID-WMLDXEAASA-N 1 3 306.881 4.087 20 0 DIADHO CCCC[C@@H](CCC)NC1(c2ccc(F)cc2)CC[NH2+]CC1 ZINC001246338135 1058848156 /nfs/dbraw/zinc/84/81/56/1058848156.db2.gz XFFUAGJJZIQBGN-GOSISDBHSA-N 1 3 306.469 4.353 20 0 DIADHO CCCC[C@@H]1C[C@H](NCCc2ccc(C(C)C)cc2)CC[NH2+]1 ZINC001246343615 1058854387 /nfs/dbraw/zinc/85/43/87/1058854387.db2.gz NJZZBSDYAWOLOS-WOJBJXKFSA-N 1 3 302.506 4.253 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+]CCc2ccc(C(C)C)cc2)CCN1 ZINC001246343615 1058854416 /nfs/dbraw/zinc/85/44/16/1058854416.db2.gz NJZZBSDYAWOLOS-WOJBJXKFSA-N 1 3 302.506 4.253 20 0 DIADHO CCCCC[C@H](CCC)[NH2+]C[C@@H]1CCN[C@H]1c1cccnc1 ZINC001246342132 1058855157 /nfs/dbraw/zinc/85/51/57/1058855157.db2.gz QZNINYGGHODENR-FHWLQOOXSA-N 1 3 303.494 4.071 20 0 DIADHO CC(C)CC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3)CCC(F)(F)CC1 ZINC001246364349 1058868670 /nfs/dbraw/zinc/86/86/70/1058868670.db2.gz BBBIVXQITVROHF-ZSHCYNCHSA-N 1 3 314.464 4.243 20 0 DIADHO COc1cccc(C(C)(C)N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246363686 1058869112 /nfs/dbraw/zinc/86/91/12/1058869112.db2.gz SNOJEIMCFPOXFR-UYAOXDASSA-N 1 3 324.468 4.013 20 0 DIADHO c1ccc([C@@H]2C[C@H](N[C@H]3CCCNc4ccccc43)CC[NH2+]2)cc1 ZINC001246358396 1058870984 /nfs/dbraw/zinc/87/09/84/1058870984.db2.gz PBASCIGZQHQVLF-QMMLZNLJSA-N 1 3 321.468 4.016 20 0 DIADHO c1ccc(C[C@H]2C[C@@H]([NH2+]Cc3cccc(C4CC4)c3)CCN2)cc1 ZINC001246366282 1058872234 /nfs/dbraw/zinc/87/22/34/1058872234.db2.gz XHNHHGNBHWFVAG-VXKWHMMOSA-N 1 3 320.480 4.017 20 0 DIADHO CC(C)CC1([NH2+][C@@H]2CCNC3(CCC3)C2)CCC(F)(F)CC1 ZINC001246366895 1058875036 /nfs/dbraw/zinc/87/50/36/1058875036.db2.gz KSROMGKFQPTYII-OAHLLOKOSA-N 1 3 314.464 4.245 20 0 DIADHO C[C@@H]1CCC[C@H]([NH2+]C2(c3ccccc3Cl)CCNCC2)C1 ZINC001246375293 1058877046 /nfs/dbraw/zinc/87/70/46/1058877046.db2.gz OABLBKIVPMQHLO-CABCVRRESA-N 1 3 306.881 4.087 20 0 DIADHO CC[C@H]1CC[C@H]([NH2+]C2(c3ccccc3Cl)CCNCC2)C1 ZINC001246379619 1058883312 /nfs/dbraw/zinc/88/33/12/1058883312.db2.gz ZRAJXNCKODDBHV-GJZGRUSLSA-N 1 3 306.881 4.087 20 0 DIADHO CCCCC[C@H](CC)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246380564 1058884299 /nfs/dbraw/zinc/88/42/99/1058884299.db2.gz IOCIGTPJMKWTFY-SFHVURJKSA-N 1 3 320.496 4.439 20 0 DIADHO CC[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3Cl)CCNCC2)C1 ZINC001246379620 1058885536 /nfs/dbraw/zinc/88/55/36/1058885536.db2.gz ZRAJXNCKODDBHV-HUUCEWRRSA-N 1 3 306.881 4.087 20 0 DIADHO C[C@H]1CCC[C@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)C1 ZINC001246382647 1058887743 /nfs/dbraw/zinc/88/77/43/1058887743.db2.gz ZASZAUHQKBRIQI-RDJZCZTQSA-N 1 3 320.908 4.173 20 0 DIADHO CCCC[C@H](CC)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246381862 1058887790 /nfs/dbraw/zinc/88/77/90/1058887790.db2.gz SQBPBSUMMABPSI-KRWDZBQOSA-N 1 3 306.469 4.049 20 0 DIADHO C[C@@H]1CCC[C@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)C1 ZINC001246382649 1058888411 /nfs/dbraw/zinc/88/84/11/1058888411.db2.gz ZASZAUHQKBRIQI-WBVHZDCISA-N 1 3 320.908 4.173 20 0 DIADHO CCCC[C@H](CCC)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246381539 1058889759 /nfs/dbraw/zinc/88/97/59/1058889759.db2.gz PGAPXMITGRBBHM-SFHVURJKSA-N 1 3 320.496 4.439 20 0 DIADHO CC[C@H](C[C@@H](C)CC)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246381923 1058890075 /nfs/dbraw/zinc/89/00/75/1058890075.db2.gz UTSMYKHEVAFXNV-FUHWJXTLSA-N 1 3 320.496 4.295 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH2+]CC2(Cc3ccc(C)cc3)CC2)CCN1 ZINC001246387282 1058890906 /nfs/dbraw/zinc/89/09/06/1058890906.db2.gz XXGKZYVXXDANAI-PMACEKPBSA-N 1 3 314.517 4.218 20 0 DIADHO CC[C@@H]1C[C@@H](NC2(Cc3ccc(F)cc3)CCC2)C[C@H](CC)[NH2+]1 ZINC001246388461 1058890954 /nfs/dbraw/zinc/89/09/54/1058890954.db2.gz HOOVDFWSCVHWGZ-REPLKXPHSA-N 1 3 318.480 4.190 20 0 DIADHO CCCC[C@H](CCC)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246390345 1058891621 /nfs/dbraw/zinc/89/16/21/1058891621.db2.gz LJMCVNLCCJKELY-IBGZPJMESA-N 1 3 320.496 4.439 20 0 DIADHO CC[C@H](C[C@@H](C)CC)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246387671 1058893109 /nfs/dbraw/zinc/89/31/09/1058893109.db2.gz BVMKKQREIKOXRK-QFBILLFUSA-N 1 3 320.496 4.295 20 0 DIADHO CCCCC[C@H](CC)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246389383 1058894365 /nfs/dbraw/zinc/89/43/65/1058894365.db2.gz HCBGJUVKPCCPIZ-IBGZPJMESA-N 1 3 320.496 4.439 20 0 DIADHO C[C@@H]1CCC[C@@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)C1 ZINC001246388732 1058894447 /nfs/dbraw/zinc/89/44/47/1058894447.db2.gz GMSSVOZJNBTHJF-CRAIPNDOSA-N 1 3 320.908 4.173 20 0 DIADHO CC(C)CC[C@@H](C)[NH2+]C1(Cc2ccccc2Cl)CCNCC1 ZINC001246391373 1058895600 /nfs/dbraw/zinc/89/56/00/1058895600.db2.gz MFOVVCKBEGDWRR-MRXNPFEDSA-N 1 3 322.924 4.419 20 0 DIADHO CCC[C@H](CC)[NH2+]C1(Cc2ccccc2Cl)CCNCC1 ZINC001246391449 1058898604 /nfs/dbraw/zinc/89/86/04/1058898604.db2.gz MTCNCSRMNOBRHQ-INIZCTEOSA-N 1 3 308.897 4.173 20 0 DIADHO CCC1([NH2+][C@@H]2CCN[C@@H](C(C)(C)C)C2)CCC(F)(F)CC1 ZINC001246410464 1058910016 /nfs/dbraw/zinc/91/00/16/1058910016.db2.gz HFBOAIAKWLHUQY-ZIAGYGMSSA-N 1 3 302.453 4.101 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+]C(C)(C)Cc2cccc(F)c2)CCN1 ZINC001246412639 1058913303 /nfs/dbraw/zinc/91/33/03/1058913303.db2.gz UCEZPZQVROUMDL-MSOLQXFVSA-N 1 3 306.469 4.047 20 0 DIADHO CCCC[C@H](CCC)NC1(c2cccc(OC)c2)CC[NH2+]CC1 ZINC001246416077 1058918016 /nfs/dbraw/zinc/91/80/16/1058918016.db2.gz PXMZNKNISYYSMU-SFHVURJKSA-N 1 3 318.505 4.222 20 0 DIADHO CCCC[C@H](C)[NH2+]C1(Cc2cccc(Cl)c2)CCNCC1 ZINC001246428633 1058921207 /nfs/dbraw/zinc/92/12/07/1058921207.db2.gz LKMJAOQSXZLEAZ-HNNXBMFYSA-N 1 3 308.897 4.173 20 0 DIADHO CC(C)C[C@@H](C)C[C@@H](C)NC1(c2ccccc2)CC[NH2+]CC1 ZINC001246427023 1058921703 /nfs/dbraw/zinc/92/17/03/1058921703.db2.gz AYPCACYYXOYVGD-QZTJIDSGSA-N 1 3 302.506 4.316 20 0 DIADHO CC1(C)CC[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)C1 ZINC001246429198 1058922411 /nfs/dbraw/zinc/92/24/11/1058922411.db2.gz NXOUUYPVCJCTOT-QGZVFWFLSA-N 1 3 320.908 4.173 20 0 DIADHO CC(C)C[C@H](C)C[C@H](C)NC1(c2ccccc2)CC[NH2+]CC1 ZINC001246427025 1058922769 /nfs/dbraw/zinc/92/27/69/1058922769.db2.gz AYPCACYYXOYVGD-ROUUACIJSA-N 1 3 302.506 4.316 20 0 DIADHO Clc1cccc(C2(NC3CCCCCC3)CC[NH2+]CC2)c1 ZINC001246429989 1058923202 /nfs/dbraw/zinc/92/32/02/1058923202.db2.gz LYMISVXZCKVLAW-UHFFFAOYSA-N 1 3 306.881 4.231 20 0 DIADHO C[C@@H]1CC[C@@H](NC2(c3cccc(Cl)c3)CC[NH2+]CC2)C[C@@H]1C ZINC001246439115 1058929672 /nfs/dbraw/zinc/92/96/72/1058929672.db2.gz UKIRABOSIZPFEX-RVKKMQEKSA-N 1 3 320.908 4.333 20 0 DIADHO CC(C)(C)[C@H]1C[C@H](NC2(Cc3ccccc3F)CCC2)CC[NH2+]1 ZINC001246437183 1058930012 /nfs/dbraw/zinc/93/00/12/1058930012.db2.gz ZQIBYDQKTXYPTB-SJLPKXTDSA-N 1 3 318.480 4.047 20 0 DIADHO Fc1cccc(C2(NC3CCCCCCC3)CC[NH2+]CC2)c1 ZINC001246436270 1058931965 /nfs/dbraw/zinc/93/19/65/1058931965.db2.gz ITUQHGBNXZZXMR-UHFFFAOYSA-N 1 3 304.453 4.107 20 0 DIADHO CCCCCC[C@H](C)[NH2+]C1(c2ccccc2F)CCNCC1 ZINC001246439320 1058933915 /nfs/dbraw/zinc/93/39/15/1058933915.db2.gz XJNLUHWBMKDFPV-INIZCTEOSA-N 1 3 306.469 4.353 20 0 DIADHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C2(CC3CCC3)CCNCC2)C1 ZINC001246446016 1058936927 /nfs/dbraw/zinc/93/69/27/1058936927.db2.gz JQUOLJOGGRXFFJ-CABCVRRESA-N 1 3 318.427 4.010 20 0 DIADHO Cc1ccc(C2(N[C@H]3CC[NH2+][C@H](C)C3)CCC(F)(F)CC2)cc1 ZINC001246458351 1058943999 /nfs/dbraw/zinc/94/39/99/1058943999.db2.gz QLLLGUIFYUXNRG-WBVHZDCISA-N 1 3 322.443 4.130 20 0 DIADHO Cc1ccc(C2([NH2+][C@H]3CCN[C@H](C)C3)CCC(F)(F)CC2)cc1 ZINC001246458351 1058944025 /nfs/dbraw/zinc/94/40/25/1058944025.db2.gz QLLLGUIFYUXNRG-WBVHZDCISA-N 1 3 322.443 4.130 20 0 DIADHO Cc1ccc(C2(N[C@H]3CC[NH2+][C@@H](C)C3)CCC(F)(F)CC2)cc1 ZINC001246458349 1058946771 /nfs/dbraw/zinc/94/67/71/1058946771.db2.gz QLLLGUIFYUXNRG-RDJZCZTQSA-N 1 3 322.443 4.130 20 0 DIADHO Cc1ccc(C2([NH2+][C@H]3CCN[C@@H](C)C3)CCC(F)(F)CC2)cc1 ZINC001246458349 1058946803 /nfs/dbraw/zinc/94/68/03/1058946803.db2.gz QLLLGUIFYUXNRG-RDJZCZTQSA-N 1 3 322.443 4.130 20 0 DIADHO Cc1ccccc1C1(N[C@@H]2CC[NH2+][C@@H](C)C2)CCC(F)(F)CC1 ZINC001246457599 1058946894 /nfs/dbraw/zinc/94/68/94/1058946894.db2.gz OBOKKCNPXRCSJQ-JKSUJKDBSA-N 1 3 322.443 4.130 20 0 DIADHO Cc1ccccc1C1([NH2+][C@@H]2CCN[C@@H](C)C2)CCC(F)(F)CC1 ZINC001246457599 1058946917 /nfs/dbraw/zinc/94/69/17/1058946917.db2.gz OBOKKCNPXRCSJQ-JKSUJKDBSA-N 1 3 322.443 4.130 20 0 DIADHO CCCC[C@@H](CCC)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246463140 1058947709 /nfs/dbraw/zinc/94/77/09/1058947709.db2.gz OYRMDOAANHBSPT-LJQANCHMSA-N 1 3 320.496 4.439 20 0 DIADHO CCC1CCC([NH2+]C2(Cc3cccc(F)c3)CCNCC2)CC1 ZINC001246465609 1058948488 /nfs/dbraw/zinc/94/84/88/1058948488.db2.gz RAQWXRCDQUWDTR-UHFFFAOYSA-N 1 3 318.480 4.049 20 0 DIADHO CCC[C@@H](N[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246461522 1058948861 /nfs/dbraw/zinc/94/88/61/1058948861.db2.gz LDMOFXCKOBTOGB-YPAWHYETSA-N 1 3 322.496 4.481 20 0 DIADHO CCC[C@@H]([NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246461522 1058948886 /nfs/dbraw/zinc/94/88/86/1058948886.db2.gz LDMOFXCKOBTOGB-YPAWHYETSA-N 1 3 322.496 4.481 20 0 DIADHO CC(C)CC(CC(C)C)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246465608 1058949990 /nfs/dbraw/zinc/94/99/90/1058949990.db2.gz QZSKHPNBDITKFS-UHFFFAOYSA-N 1 3 316.533 4.402 20 0 DIADHO C[C@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CCNCC2)CC(C)(C)C1 ZINC001246467806 1058952742 /nfs/dbraw/zinc/95/27/42/1058952742.db2.gz UPAQFTYFKHVWGL-PKOBYXMFSA-N 1 3 314.517 4.156 20 0 DIADHO CCCC[C@H](CC)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246469873 1058953906 /nfs/dbraw/zinc/95/39/06/1058953906.db2.gz WHUBRSRIBIQNMB-SFHVURJKSA-N 1 3 306.469 4.049 20 0 DIADHO CC(C)CCC[C@@H](C)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246465771 1058954138 /nfs/dbraw/zinc/95/41/38/1058954138.db2.gz RSKVMIGHKROFNT-QGZVFWFLSA-N 1 3 320.496 4.295 20 0 DIADHO c1ccc2c(c1)-c1ccccc1C2C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC001246469331 1058957191 /nfs/dbraw/zinc/95/71/91/1058957191.db2.gz IXJKFVSHEWAUAY-MRXNPFEDSA-N 1 3 318.464 4.063 20 0 DIADHO CCCCCC[C@H](C)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246469960 1058957573 /nfs/dbraw/zinc/95/75/73/1058957573.db2.gz XYGBQDSQRGQLIK-SFHVURJKSA-N 1 3 302.506 4.300 20 0 DIADHO Cc1cccc([C@H](N[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C(C)C)c1 ZINC001246474122 1058959941 /nfs/dbraw/zinc/95/99/41/1058959941.db2.gz KZWWVAITOSZTHC-GUDVDZBRSA-N 1 3 302.506 4.448 20 0 DIADHO CCCC(C[NH3+])(CCC)N[C@H](C)CSc1ccc(F)cc1 ZINC001246495390 1058971816 /nfs/dbraw/zinc/97/18/16/1058971816.db2.gz KEEUKNIOWRCPRU-CQSZACIVSA-N 1 3 312.498 4.194 20 0 DIADHO Clc1ccc([C@H](C[NH2+][C@@H]2CCNC3(CCC3)C2)C2CC2)cc1 ZINC001246515243 1058984141 /nfs/dbraw/zinc/98/41/41/1058984141.db2.gz LIJJNSWAEOTQCQ-QZTJIDSGSA-N 1 3 318.892 4.098 20 0 DIADHO Cc1cccc([C@@H]2CCC[N@@H+]2[C@H]2CCN[C@@H](C(C)(C)C)C2)c1 ZINC001246536449 1058989017 /nfs/dbraw/zinc/98/90/17/1058989017.db2.gz FNWJYVWOHAYTLA-GBESFXJTSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1cccc([C@@H]2CCC[N@H+]2[C@H]2CCN[C@@H](C(C)(C)C)C2)c1 ZINC001246536449 1058989027 /nfs/dbraw/zinc/98/90/27/1058989027.db2.gz FNWJYVWOHAYTLA-GBESFXJTSA-N 1 3 300.490 4.299 20 0 DIADHO CC1(C)C[C@@H]([NH+]2CCC(CCCc3ccccc3)CC2)CCN1 ZINC001246535849 1058989149 /nfs/dbraw/zinc/98/91/49/1058989149.db2.gz MPDGDKXJJCADTP-FQEVSTJZSA-N 1 3 314.517 4.252 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCC[C@@H](CN)[C@H]1C ZINC001246565170 1059003127 /nfs/dbraw/zinc/00/31/27/1059003127.db2.gz OUCUGYXWZIXEDT-OAGGEKHMSA-N 1 3 324.534 4.129 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CCC[C@@H](CN)[C@H]1C ZINC001246565170 1059003147 /nfs/dbraw/zinc/00/31/47/1059003147.db2.gz OUCUGYXWZIXEDT-OAGGEKHMSA-N 1 3 324.534 4.129 20 0 DIADHO CC(C)C[N@H+](Cc1ccccc1)[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246562262 1059003441 /nfs/dbraw/zinc/00/34/41/1059003441.db2.gz XKLRZRPIHAPGBH-RBUKOAKNSA-N 1 3 302.506 4.311 20 0 DIADHO CC(C)C[N@@H+](Cc1ccccc1)[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246562262 1059003463 /nfs/dbraw/zinc/00/34/63/1059003463.db2.gz XKLRZRPIHAPGBH-RBUKOAKNSA-N 1 3 302.506 4.311 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)N1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246563082 1059004291 /nfs/dbraw/zinc/00/42/91/1059004291.db2.gz BEMYKODRPRDPIK-OAGGEKHMSA-N 1 3 324.534 4.129 20 0 DIADHO Fc1ccc([C@@H]2CCCN2[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001246564511 1059007018 /nfs/dbraw/zinc/00/70/18/1059007018.db2.gz XOIGMZCMAXRNQW-HKBOAZHASA-N 1 3 324.443 4.456 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCCC[C@@H](CN)C1 ZINC001246582561 1059010582 /nfs/dbraw/zinc/01/05/82/1059010582.db2.gz NTSIWTNZXNFYOT-CVEARBPZSA-N 1 3 324.534 4.131 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CCCC[C@@H](CN)C1 ZINC001246582561 1059010602 /nfs/dbraw/zinc/01/06/02/1059010602.db2.gz NTSIWTNZXNFYOT-CVEARBPZSA-N 1 3 324.534 4.131 20 0 DIADHO CCc1ccc(C[C@@H](C)[N@H+](C(C)C)[C@H]2CCCNCC2)cc1 ZINC001246581773 1059013181 /nfs/dbraw/zinc/01/31/81/1059013181.db2.gz AMEAVHPKDGXVOO-XLIONFOSSA-N 1 3 302.506 4.033 20 0 DIADHO CCc1ccc(C[C@@H](C)[N@@H+](C(C)C)[C@H]2CCCNCC2)cc1 ZINC001246581773 1059013193 /nfs/dbraw/zinc/01/31/93/1059013193.db2.gz AMEAVHPKDGXVOO-XLIONFOSSA-N 1 3 302.506 4.033 20 0 DIADHO CC(C)[N@H+]([C@H]1CCc2c(Cl)cccc2C1)[C@H]1CCCNCC1 ZINC001246593430 1059014918 /nfs/dbraw/zinc/01/49/18/1059014918.db2.gz MZJMOLHYMAEEOU-IRXDYDNUSA-N 1 3 320.908 4.050 20 0 DIADHO CC(C)[N@@H+]([C@H]1CCc2c(Cl)cccc2C1)[C@H]1CCCNCC1 ZINC001246593430 1059014940 /nfs/dbraw/zinc/01/49/40/1059014940.db2.gz MZJMOLHYMAEEOU-IRXDYDNUSA-N 1 3 320.908 4.050 20 0 DIADHO c1ccc(C[N@H+](C2CCCCC2)[C@@H]2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC001246596939 1059015962 /nfs/dbraw/zinc/01/59/62/1059015962.db2.gz KQIANUVEEINWRI-CEQLMSFQSA-N 1 3 312.501 4.494 20 0 DIADHO c1ccc(C[N@@H+](C2CCCCC2)[C@@H]2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC001246596939 1059015983 /nfs/dbraw/zinc/01/59/83/1059015983.db2.gz KQIANUVEEINWRI-CEQLMSFQSA-N 1 3 312.501 4.494 20 0 DIADHO CC[C@H]1C[C@H](N2CCC(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246595406 1059016681 /nfs/dbraw/zinc/01/66/81/1059016681.db2.gz NGYPVKADOIJCFN-ZWKOTPCHSA-N 1 3 306.881 4.050 20 0 DIADHO CC(C)[N@H+]([C@H](C)Cc1ccc(Cl)cc1)[C@H]1CCCNCC1 ZINC001246590683 1059017525 /nfs/dbraw/zinc/01/75/25/1059017525.db2.gz HQXIBRLCHGPFNJ-QAPCUYQASA-N 1 3 308.897 4.124 20 0 DIADHO CC(C)[N@@H+]([C@H](C)Cc1ccc(Cl)cc1)[C@H]1CCCNCC1 ZINC001246590683 1059017546 /nfs/dbraw/zinc/01/75/46/1059017546.db2.gz HQXIBRLCHGPFNJ-QAPCUYQASA-N 1 3 308.897 4.124 20 0 DIADHO CC[C@@H]1C[C@H]([N@H+](Cc2ccccc2)C2CCCCC2)CCN1 ZINC001246593171 1059018105 /nfs/dbraw/zinc/01/81/05/1059018105.db2.gz ANBSTMMBMDYRJV-UYAOXDASSA-N 1 3 300.490 4.352 20 0 DIADHO CC[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)C2CCCCC2)CCN1 ZINC001246593171 1059018128 /nfs/dbraw/zinc/01/81/28/1059018128.db2.gz ANBSTMMBMDYRJV-UYAOXDASSA-N 1 3 300.490 4.352 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@]2(CCCNC2)C1 ZINC001246609092 1059026674 /nfs/dbraw/zinc/02/66/74/1059026674.db2.gz KPDFJDKXQOWRCM-SFTDATJTSA-N 1 3 314.517 4.254 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[N@H+]1CCC[C@]2(CCCNC2)C1 ZINC001246609092 1059026693 /nfs/dbraw/zinc/02/66/93/1059026693.db2.gz KPDFJDKXQOWRCM-SFTDATJTSA-N 1 3 314.517 4.254 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246609740 1059026926 /nfs/dbraw/zinc/02/69/26/1059026926.db2.gz MZOYVXZIVFOBGE-VQTJNVASSA-N 1 3 300.490 4.006 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[N@H+]1CCC[C@@]12CCCNC2 ZINC001246609740 1059026954 /nfs/dbraw/zinc/02/69/54/1059026954.db2.gz MZOYVXZIVFOBGE-VQTJNVASSA-N 1 3 300.490 4.006 20 0 DIADHO c1ccc2c(c1)CCC21CCC([N@H+]2CCC[C@]23CCCNC3)CC1 ZINC001246611487 1059028701 /nfs/dbraw/zinc/02/87/01/1059028701.db2.gz UCIKALQCPYVABH-VTLFHKLASA-N 1 3 324.512 4.031 20 0 DIADHO c1ccc2c(c1)CCC21CCC([N@@H+]2CCC[C@]23CCCNC3)CC1 ZINC001246611487 1059028723 /nfs/dbraw/zinc/02/87/23/1059028723.db2.gz UCIKALQCPYVABH-VTLFHKLASA-N 1 3 324.512 4.031 20 0 DIADHO c1ccc2c(c1)CCC21CCC(N2CCC[C@]23CCC[NH2+]C3)CC1 ZINC001246611487 1059028744 /nfs/dbraw/zinc/02/87/44/1059028744.db2.gz UCIKALQCPYVABH-VTLFHKLASA-N 1 3 324.512 4.031 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1Cl)N1CCC[C@@]12CCC[NH2+]CC2 ZINC001246609163 1059029810 /nfs/dbraw/zinc/02/98/10/1059029810.db2.gz XQRMKXGLQROVGF-KBXCAEBGSA-N 1 3 324.871 4.018 20 0 DIADHO Clc1ccc(C2CCC([N@@H+]3CC[C@H]4CNCC[C@H]43)CC2)cc1 ZINC001246617413 1059030878 /nfs/dbraw/zinc/03/08/78/1059030878.db2.gz CEYYCEFVLNYRRH-DHRZBBNESA-N 1 3 318.892 4.050 20 0 DIADHO Clc1ccc(C2CCC([N@H+]3CC[C@H]4CNCC[C@H]43)CC2)cc1 ZINC001246617413 1059030900 /nfs/dbraw/zinc/03/09/00/1059030900.db2.gz CEYYCEFVLNYRRH-DHRZBBNESA-N 1 3 318.892 4.050 20 0 DIADHO c1ccc2c(c1)CCCC21CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246618653 1059031041 /nfs/dbraw/zinc/03/10/41/1059031041.db2.gz IIMUPESHSLJDOT-PMOLBWCYSA-N 1 3 324.512 4.030 20 0 DIADHO CCCC[C@H]1C[C@H](N2CCC3(C=Cc4ccccc43)CC2)CC[NH2+]1 ZINC001246648191 1059047756 /nfs/dbraw/zinc/04/77/56/1059047756.db2.gz PAQKFPNJWXDISQ-VQTJNVASSA-N 1 3 324.512 4.358 20 0 DIADHO CCCC[C@H]1C[C@H]([NH+]2CCC3(C=Cc4ccccc43)CC2)CCN1 ZINC001246648191 1059047776 /nfs/dbraw/zinc/04/77/76/1059047776.db2.gz PAQKFPNJWXDISQ-VQTJNVASSA-N 1 3 324.512 4.358 20 0 DIADHO c1ccc(CC2CCC([N@@H+]3CCCC34CCNCC4)CC2)cc1 ZINC001246648700 1059051160 /nfs/dbraw/zinc/05/11/60/1059051160.db2.gz YUDHSOCOGOPVEU-UHFFFAOYSA-N 1 3 312.501 4.006 20 0 DIADHO c1ccc(CC2CCC([N@H+]3CCCC34CCNCC4)CC2)cc1 ZINC001246648700 1059051183 /nfs/dbraw/zinc/05/11/83/1059051183.db2.gz YUDHSOCOGOPVEU-UHFFFAOYSA-N 1 3 312.501 4.006 20 0 DIADHO c1ccc([C@@H]2CCC[C@H]([N@H+]3CCCC[C@@]34CCCNC4)C2)cc1 ZINC001246651514 1059053905 /nfs/dbraw/zinc/05/39/05/1059053905.db2.gz LXRGHEIKRGFHFP-HKBOAZHASA-N 1 3 312.501 4.321 20 0 DIADHO c1ccc([C@@H]2CCC[C@H]([N@@H+]3CCCC[C@@]34CCCNC4)C2)cc1 ZINC001246651514 1059053930 /nfs/dbraw/zinc/05/39/30/1059053930.db2.gz LXRGHEIKRGFHFP-HKBOAZHASA-N 1 3 312.501 4.321 20 0 DIADHO c1ccc([C@@H]2CCC[C@H](N3CCCC[C@@]34CCC[NH2+]C4)C2)cc1 ZINC001246651514 1059053951 /nfs/dbraw/zinc/05/39/51/1059053951.db2.gz LXRGHEIKRGFHFP-HKBOAZHASA-N 1 3 312.501 4.321 20 0 DIADHO CCCC[C@H](CC)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246673549 1059057422 /nfs/dbraw/zinc/05/74/22/1059057422.db2.gz PHRMGZXASFMIJE-QHAWAJNXSA-N 1 3 314.517 4.208 20 0 DIADHO CCCC[C@H](CC)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246673549 1059057450 /nfs/dbraw/zinc/05/74/50/1059057450.db2.gz PHRMGZXASFMIJE-QHAWAJNXSA-N 1 3 314.517 4.208 20 0 DIADHO CCCC(CCC)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246675848 1059059151 /nfs/dbraw/zinc/05/91/51/1059059151.db2.gz YJWKRLPFTVUKQG-FPOVZHCZSA-N 1 3 314.517 4.208 20 0 DIADHO CCCC(CCC)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246675848 1059059174 /nfs/dbraw/zinc/05/91/74/1059059174.db2.gz YJWKRLPFTVUKQG-FPOVZHCZSA-N 1 3 314.517 4.208 20 0 DIADHO CCCCC[C@H](C)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246672546 1059060476 /nfs/dbraw/zinc/06/04/76/1059060476.db2.gz LYEWVJBPLBCQJP-TYPHKJRUSA-N 1 3 314.517 4.208 20 0 DIADHO CCCCC[C@H](C)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246672546 1059060499 /nfs/dbraw/zinc/06/04/99/1059060499.db2.gz LYEWVJBPLBCQJP-TYPHKJRUSA-N 1 3 314.517 4.208 20 0 DIADHO Cc1ccccc1[C@@H]1CCC[N@@H+]1[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246680750 1059061327 /nfs/dbraw/zinc/06/13/27/1059061327.db2.gz KZIDPIJCQCPCJL-WDSOQIARSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccccc1[C@@H]1CCC[N@H+]1[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246680750 1059061348 /nfs/dbraw/zinc/06/13/48/1059061348.db2.gz KZIDPIJCQCPCJL-WDSOQIARSA-N 1 3 300.490 4.299 20 0 DIADHO C[C@@H](c1ccccc1)N(Cc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC001246681045 1059065859 /nfs/dbraw/zinc/06/58/59/1059065859.db2.gz DUNNXTARZBVVSV-RXVVDRJESA-N 1 3 308.469 4.392 20 0 DIADHO CC(C)(C)[C@H]1C[C@H](N2CCC(c3ccccc3)CC2)CC[NH2+]1 ZINC001246691243 1059069222 /nfs/dbraw/zinc/06/92/22/1059069222.db2.gz QEOCKJMCCPTTDL-RTBURBONSA-N 1 3 300.490 4.033 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246775604 1059079063 /nfs/dbraw/zinc/07/90/63/1059079063.db2.gz IZQNTDAOIAMFLQ-FHWLQOOXSA-N 1 3 300.490 4.033 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246775604 1059079089 /nfs/dbraw/zinc/07/90/89/1059079089.db2.gz IZQNTDAOIAMFLQ-FHWLQOOXSA-N 1 3 300.490 4.033 20 0 DIADHO CC[C@@H]1CC([N@H+](C)C23CC4CC(CC(C4)C2)C3)C[C@@H](CC)N1 ZINC001246781653 1059080926 /nfs/dbraw/zinc/08/09/26/1059080926.db2.gz IBYVVDCUDLJZEK-JFNPMQPZSA-N 1 3 304.522 4.196 20 0 DIADHO CC[C@@H]1CC([N@@H+](C)C23CC4CC(CC(C4)C2)C3)C[C@@H](CC)N1 ZINC001246781653 1059080951 /nfs/dbraw/zinc/08/09/51/1059080951.db2.gz IBYVVDCUDLJZEK-JFNPMQPZSA-N 1 3 304.522 4.196 20 0 DIADHO CC[C@H]1CC(N2CCC(c3ccc(F)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246785077 1059083905 /nfs/dbraw/zinc/08/39/05/1059083905.db2.gz JUDYLBUKTXQPMB-OALUTQOASA-N 1 3 318.480 4.314 20 0 DIADHO C[N@H+]([C@H]1CCN[C@@H](C(C)(C)C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246783595 1059084313 /nfs/dbraw/zinc/08/43/13/1059084313.db2.gz PKALHRVIAYPQLS-ZBLKQVMWSA-N 1 3 304.522 4.054 20 0 DIADHO C[N@@H+]([C@H]1CCN[C@@H](C(C)(C)C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246783595 1059084334 /nfs/dbraw/zinc/08/43/34/1059084334.db2.gz PKALHRVIAYPQLS-ZBLKQVMWSA-N 1 3 304.522 4.054 20 0 DIADHO CC1(C)C[C@@H](N2CCc3ccccc3[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246807858 1059106851 /nfs/dbraw/zinc/10/68/51/1059106851.db2.gz UEMVSOZRQPQWTA-FPOVZHCZSA-N 1 3 320.480 4.165 20 0 DIADHO C[C@@H](CC(C)(C)SCc1ccco1)[N@H+](C)C[C@@H]1CCCNC1 ZINC001246843745 1059124208 /nfs/dbraw/zinc/12/42/08/1059124208.db2.gz WALIRTNYZXJHEG-JKSUJKDBSA-N 1 3 324.534 4.001 20 0 DIADHO C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+](C)C[C@@H]1CCCNC1 ZINC001246843745 1059124215 /nfs/dbraw/zinc/12/42/15/1059124215.db2.gz WALIRTNYZXJHEG-JKSUJKDBSA-N 1 3 324.534 4.001 20 0 DIADHO CC[C@@H]1CC(N2CCC[C@H]2c2cccc(OC)c2)C[C@@H](CC)[NH2+]1 ZINC001246849082 1059126923 /nfs/dbraw/zinc/12/69/23/1059126923.db2.gz PWPZPQYHOTWWDS-HLIPFELVSA-N 1 3 316.489 4.141 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246863104 1059136015 /nfs/dbraw/zinc/13/60/15/1059136015.db2.gz IZQNTDAOIAMFLQ-GBESFXJTSA-N 1 3 300.490 4.033 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246863104 1059136024 /nfs/dbraw/zinc/13/60/24/1059136024.db2.gz IZQNTDAOIAMFLQ-GBESFXJTSA-N 1 3 300.490 4.033 20 0 DIADHO CC[C@@H]1C[C@H](N2CCc3ccccc3[C@@H]2CC)C[C@H](CC)[NH2+]1 ZINC001246868240 1059141799 /nfs/dbraw/zinc/14/17/99/1059141799.db2.gz RIEDDWLDQZMSCK-XFKSJGNHSA-N 1 3 300.490 4.305 20 0 DIADHO CC[C@@H]1c2ccccc2CCN1[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246870582 1059142501 /nfs/dbraw/zinc/14/25/01/1059142501.db2.gz YMLKQOMQWFKXGE-UHOSZYNNSA-N 1 3 300.490 4.163 20 0 DIADHO C[C@@H]1C[C@H](N2[C@@H]3Cc4ccccc4[C@@]2(C)c2ccccc23)CC[NH2+]1 ZINC001246876887 1059145754 /nfs/dbraw/zinc/14/57/54/1059145754.db2.gz DBJDDGGAXTXZSC-VIDZHXABSA-N 1 3 318.464 4.003 20 0 DIADHO C[C@@H]1C[C@H]([N@@H+]2[C@@H]3Cc4ccccc4[C@@]2(C)c2ccccc23)CCN1 ZINC001246876887 1059145761 /nfs/dbraw/zinc/14/57/61/1059145761.db2.gz DBJDDGGAXTXZSC-VIDZHXABSA-N 1 3 318.464 4.003 20 0 DIADHO C[C@@H]1C[C@H]([N@H+]2[C@@H]3Cc4ccccc4[C@@]2(C)c2ccccc23)CCN1 ZINC001246876887 1059145765 /nfs/dbraw/zinc/14/57/65/1059145765.db2.gz DBJDDGGAXTXZSC-VIDZHXABSA-N 1 3 318.464 4.003 20 0 DIADHO CC[C@@H]1C[C@H](N2CCC[C@H]2c2ccccc2SC)CC[NH2+]1 ZINC001246886618 1059150500 /nfs/dbraw/zinc/15/05/00/1059150500.db2.gz HOFMHWXSFHSOSQ-INMHGKMJSA-N 1 3 304.503 4.076 20 0 DIADHO C[C@@H]1C[C@H]([N@H+](C)CCC(c2ccccc2)c2ccccc2)CCN1 ZINC001246884077 1059150698 /nfs/dbraw/zinc/15/06/98/1059150698.db2.gz SLJHJWPJQCGICY-WIYYLYMNSA-N 1 3 322.496 4.281 20 0 DIADHO C[C@@H]1C[C@H]([N@@H+](C)CCC(c2ccccc2)c2ccccc2)CCN1 ZINC001246884077 1059150715 /nfs/dbraw/zinc/15/07/15/1059150715.db2.gz SLJHJWPJQCGICY-WIYYLYMNSA-N 1 3 322.496 4.281 20 0 DIADHO CC[C@H]1CC([N@H+](C)C(C)(C)Cc2ccccc2)C[C@H](CC)N1 ZINC001246892941 1059155222 /nfs/dbraw/zinc/15/52/22/1059155222.db2.gz PKWIMSWOHAIJGO-ROUUACIJSA-N 1 3 302.506 4.249 20 0 DIADHO CC[C@H]1CC([N@@H+](C)C(C)(C)Cc2ccccc2)C[C@H](CC)N1 ZINC001246892941 1059155229 /nfs/dbraw/zinc/15/52/29/1059155229.db2.gz PKWIMSWOHAIJGO-ROUUACIJSA-N 1 3 302.506 4.249 20 0 DIADHO CCCC[C@H]1C[C@@H]([N@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246894423 1059158761 /nfs/dbraw/zinc/15/87/61/1059158761.db2.gz TYEUWUFXSCETNB-OALUTQOASA-N 1 3 302.506 4.250 20 0 DIADHO CCCC[C@H]1C[C@@H]([N@@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246894423 1059158772 /nfs/dbraw/zinc/15/87/72/1059158772.db2.gz TYEUWUFXSCETNB-OALUTQOASA-N 1 3 302.506 4.250 20 0 DIADHO FC(F)(F)c1ccc([C@@H]2CCCN2[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246920259 1059176166 /nfs/dbraw/zinc/17/61/66/1059176166.db2.gz DJLMVAKVXNITEG-YVSFHVDLSA-N 1 3 324.390 4.125 20 0 DIADHO CCCC[C@H](C)[N@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001246945574 1059191441 /nfs/dbraw/zinc/19/14/41/1059191441.db2.gz HBDSEFXMAKCHIC-HNNXBMFYSA-N 1 3 308.897 4.473 20 0 DIADHO CCCC[C@H](C)[N@@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001246945574 1059191444 /nfs/dbraw/zinc/19/14/44/1059191444.db2.gz HBDSEFXMAKCHIC-HNNXBMFYSA-N 1 3 308.897 4.473 20 0 DIADHO CC[C@@H]1CC[C@@H]([N@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952443 1059193181 /nfs/dbraw/zinc/19/31/81/1059193181.db2.gz SKYUFOCMNIDOQV-OXQOHEQNSA-N 1 3 318.480 4.267 20 0 DIADHO CC[C@@H]1CC[C@@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952443 1059193194 /nfs/dbraw/zinc/19/31/94/1059193194.db2.gz SKYUFOCMNIDOQV-OXQOHEQNSA-N 1 3 318.480 4.267 20 0 DIADHO CC[C@H]1CC[C@H]([N@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952441 1059193874 /nfs/dbraw/zinc/19/38/74/1059193874.db2.gz SKYUFOCMNIDOQV-JXFKEZNVSA-N 1 3 318.480 4.267 20 0 DIADHO CC[C@H]1CC[C@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952441 1059193882 /nfs/dbraw/zinc/19/38/82/1059193882.db2.gz SKYUFOCMNIDOQV-JXFKEZNVSA-N 1 3 318.480 4.267 20 0 DIADHO CCCC[C@@H](C)[N@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001246954423 1059198858 /nfs/dbraw/zinc/19/88/58/1059198858.db2.gz HDJPLZXSKAWANR-MRXNPFEDSA-N 1 3 306.469 4.267 20 0 DIADHO CCCC[C@@H](C)[N@@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001246954423 1059198864 /nfs/dbraw/zinc/19/88/64/1059198864.db2.gz HDJPLZXSKAWANR-MRXNPFEDSA-N 1 3 306.469 4.267 20 0 DIADHO CCCC[C@@H](C)N(Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001246954423 1059198872 /nfs/dbraw/zinc/19/88/72/1059198872.db2.gz HDJPLZXSKAWANR-MRXNPFEDSA-N 1 3 306.469 4.267 20 0 DIADHO CCCC[C@H](CC)[N@H+](Cc1ccc(F)c(F)c1)C1CCNCC1 ZINC001246955938 1059199282 /nfs/dbraw/zinc/19/92/82/1059199282.db2.gz ODGUSVWDMIDOCO-INIZCTEOSA-N 1 3 324.459 4.488 20 0 DIADHO CCCC[C@H](CC)[N@@H+](Cc1ccc(F)c(F)c1)C1CCNCC1 ZINC001246955938 1059199290 /nfs/dbraw/zinc/19/92/90/1059199290.db2.gz ODGUSVWDMIDOCO-INIZCTEOSA-N 1 3 324.459 4.488 20 0 DIADHO CCCC[C@H](CC)N(Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001246955938 1059199306 /nfs/dbraw/zinc/19/93/06/1059199306.db2.gz ODGUSVWDMIDOCO-INIZCTEOSA-N 1 3 324.459 4.488 20 0 DIADHO CCCC[C@@H]1C[C@@H](N(Cc2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246956960 1059206235 /nfs/dbraw/zinc/20/62/35/1059206235.db2.gz BKVGGMHNTLGCDC-QUCCMNQESA-N 1 3 300.490 4.352 20 0 DIADHO CCC[C@H](CC)[N@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001246962235 1059209053 /nfs/dbraw/zinc/20/90/53/1059209053.db2.gz IXVSEVVHZDLYCI-SFHVURJKSA-N 1 3 306.469 4.267 20 0 DIADHO CCC[C@H](CC)[N@@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001246962235 1059209072 /nfs/dbraw/zinc/20/90/72/1059209072.db2.gz IXVSEVVHZDLYCI-SFHVURJKSA-N 1 3 306.469 4.267 20 0 DIADHO Cc1ccc(F)cc1C[N@H+]([C@H]1CCC(C)(C)C1)C1CCNCC1 ZINC001246965791 1059212422 /nfs/dbraw/zinc/21/24/22/1059212422.db2.gz SFGUQLSDBYNLJO-IBGZPJMESA-N 1 3 318.480 4.267 20 0 DIADHO Cc1ccc(F)cc1C[N@@H+]([C@H]1CCC(C)(C)C1)C1CCNCC1 ZINC001246965791 1059212435 /nfs/dbraw/zinc/21/24/35/1059212435.db2.gz SFGUQLSDBYNLJO-IBGZPJMESA-N 1 3 318.480 4.267 20 0 DIADHO c1ccc([C@@H]2CCC[C@H]([N@H+](C[C@@H]3CCCNC3)C3CC3)C2)cc1 ZINC001246973547 1059214885 /nfs/dbraw/zinc/21/48/85/1059214885.db2.gz ODFMVARDZCVOJF-QFUCXCTJSA-N 1 3 312.501 4.177 20 0 DIADHO c1ccc([C@@H]2CCC[C@H]([N@@H+](C[C@@H]3CCCNC3)C3CC3)C2)cc1 ZINC001246973547 1059214905 /nfs/dbraw/zinc/21/49/05/1059214905.db2.gz ODFMVARDZCVOJF-QFUCXCTJSA-N 1 3 312.501 4.177 20 0 DIADHO Cc1ccc(SC[C@@H](C)[N@H+](C2CCC2)C2CCNCC2)cc1 ZINC001246974232 1059218761 /nfs/dbraw/zinc/21/87/61/1059218761.db2.gz JPPOEOPVYLHYJQ-MRXNPFEDSA-N 1 3 318.530 4.082 20 0 DIADHO Cc1ccc(SC[C@@H](C)[N@@H+](C2CCC2)C2CCNCC2)cc1 ZINC001246974232 1059218779 /nfs/dbraw/zinc/21/87/79/1059218779.db2.gz JPPOEOPVYLHYJQ-MRXNPFEDSA-N 1 3 318.530 4.082 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC001246971518 1059219539 /nfs/dbraw/zinc/21/95/39/1059219539.db2.gz HCOWBNBHOINWIP-FPOVZHCZSA-N 1 3 314.517 4.252 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC001246971518 1059219559 /nfs/dbraw/zinc/21/95/59/1059219559.db2.gz HCOWBNBHOINWIP-FPOVZHCZSA-N 1 3 314.517 4.252 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC001246971525 1059219672 /nfs/dbraw/zinc/21/96/72/1059219672.db2.gz HCOWBNBHOINWIP-PZJWPPBQSA-N 1 3 314.517 4.252 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC001246971525 1059219695 /nfs/dbraw/zinc/21/96/95/1059219695.db2.gz HCOWBNBHOINWIP-PZJWPPBQSA-N 1 3 314.517 4.252 20 0 DIADHO c1sc2ccccc2c1C1CCN([C@@H]2CCC[NH2+]CC2)CC1 ZINC001246976741 1059220931 /nfs/dbraw/zinc/22/09/31/1059220931.db2.gz ASJJHVUZJIQUEI-MRXNPFEDSA-N 1 3 314.498 4.223 20 0 DIADHO c1ccc(-c2ccc(C3CCN(C4CC[NH2+]CC4)CC3)cc2)cc1 ZINC001246993678 1059226804 /nfs/dbraw/zinc/22/68/04/1059226804.db2.gz LZVGCUQMXYEQMD-UHFFFAOYSA-N 1 3 320.480 4.285 20 0 DIADHO c1ccc(-c2ccc(C3CC[NH+](C4CCNCC4)CC3)cc2)cc1 ZINC001246993678 1059226827 /nfs/dbraw/zinc/22/68/27/1059226827.db2.gz LZVGCUQMXYEQMD-UHFFFAOYSA-N 1 3 320.480 4.285 20 0 DIADHO CCCC[C@H]1C[C@H]([N@@H+]2CCC[C@@H]2c2ccccc2C)CCN1 ZINC001247002687 1059234520 /nfs/dbraw/zinc/23/45/20/1059234520.db2.gz OBQOWYHEGKSHHT-NLWGTHIKSA-N 1 3 300.490 4.443 20 0 DIADHO CCCC[C@H]1C[C@H]([N@H+]2CCC[C@@H]2c2ccccc2C)CCN1 ZINC001247002687 1059234537 /nfs/dbraw/zinc/23/45/37/1059234537.db2.gz OBQOWYHEGKSHHT-NLWGTHIKSA-N 1 3 300.490 4.443 20 0 DIADHO CC[C@@H](CC(F)F)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001559524829 1059323109 /nfs/dbraw/zinc/32/31/09/1059323109.db2.gz RNMIFPCLJNKMKG-DLBZAZTESA-N 1 3 316.480 4.256 20 0 DIADHO C[C@H]([NH2+]C[C@H]1CCCCC1(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC001559737883 1059569134 /nfs/dbraw/zinc/56/91/34/1059569134.db2.gz PSVHPVQTJNQIBI-OKZBNKHCSA-N 1 3 306.538 4.445 20 0 DIADHO CCN(CC)CCC[N@H+](C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001559911513 1059728326 /nfs/dbraw/zinc/72/83/26/1059728326.db2.gz LTZDQYMPGDUGKC-UXHICEINSA-N 1 3 302.506 4.377 20 0 DIADHO CCN(CC)CCC[N@@H+](C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001559911513 1059728347 /nfs/dbraw/zinc/72/83/47/1059728347.db2.gz LTZDQYMPGDUGKC-UXHICEINSA-N 1 3 302.506 4.377 20 0 DIADHO CC1(C)C[C@@H](c2ccccc2)N(CCC[NH+]2CCCCC2)C1 ZINC001559932001 1059743116 /nfs/dbraw/zinc/74/31/16/1059743116.db2.gz UXGHMBDHUGQLMH-IBGZPJMESA-N 1 3 300.490 4.336 20 0 DIADHO CCCCN(CCc1cscn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001560035623 1059845143 /nfs/dbraw/zinc/84/51/43/1059845143.db2.gz AYNVQMQALMZZRH-UHFFFAOYSA-N 1 3 323.550 4.097 20 0 DIADHO c1ccc([C@H]2CCCC[C@@H]([NH2+]CCCN3CCCC3)C2)cc1 ZINC001560252281 1060019693 /nfs/dbraw/zinc/01/96/93/1060019693.db2.gz SQXBPWJLXVLXDF-VQTJNVASSA-N 1 3 300.490 4.178 20 0 DIADHO C[C@@H](CC[NH2+]Cc1cc2ccccc2s1)N1CCCCC1 ZINC001560436878 1060226379 /nfs/dbraw/zinc/22/63/79/1060226379.db2.gz VMOMPKNQHGMXTN-HNNXBMFYSA-N 1 3 302.487 4.255 20 0 DIADHO C[C@@H](C[NH2+]CC[C@H](C)N(C)C)Cc1ccc(C(C)(C)C)cc1 ZINC001560546764 1060355150 /nfs/dbraw/zinc/35/51/50/1060355150.db2.gz HWGVTDOHCQCFJK-SJORKVTESA-N 1 3 304.522 4.093 20 0 DIADHO C[NH+](C)CC[C@@H](N[C@@H]1CCCC(C)(C)CC1)c1cccnc1 ZINC001560597629 1060409777 /nfs/dbraw/zinc/40/97/77/1060409777.db2.gz VNPITJUMYKKWPH-QZTJIDSGSA-N 1 3 303.494 4.023 20 0 DIADHO Cc1cccc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC001560749497 1060615791 /nfs/dbraw/zinc/61/57/91/1060615791.db2.gz HRKOZYBALRDYBT-BJLQDIEVSA-N 1 3 314.517 4.169 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC001560805524 1060667029 /nfs/dbraw/zinc/66/70/29/1060667029.db2.gz IHMOYMUUEVJSJJ-FQEVSTJZSA-N 1 3 316.533 4.500 20 0 DIADHO CC1=CC[C@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC001560871864 1060733646 /nfs/dbraw/zinc/73/36/46/1060733646.db2.gz UNXJRDZMMCGHNW-RTWAWAEBSA-N 1 3 312.501 4.377 20 0 DIADHO CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC001473219441 1060994631 /nfs/dbraw/zinc/99/46/31/1060994631.db2.gz HHFFIBDZTBYHTG-DBVUQKKJSA-N 1 3 300.490 4.287 20 0 DIADHO CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC001473219441 1060994650 /nfs/dbraw/zinc/99/46/50/1060994650.db2.gz HHFFIBDZTBYHTG-DBVUQKKJSA-N 1 3 300.490 4.287 20 0 DIADHO Cc1ccc2cc(CN(C)Cc3ccc(C[NH+](C)C)cc3)[nH]c2c1 ZINC001462192407 1061013951 /nfs/dbraw/zinc/01/39/51/1061013951.db2.gz OJXLJILFOWJXRK-UHFFFAOYSA-N 1 3 321.468 4.170 20 0 DIADHO CCc1ccc([C@H]2CCCN(CCC[NH+]3CCCCC3)C2)cc1 ZINC001473449074 1061165680 /nfs/dbraw/zinc/16/56/80/1061165680.db2.gz DEUMNDCSRLRRPR-NRFANRHFSA-N 1 3 314.517 4.304 20 0 DIADHO CN1CCCC[C@H](C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001462437887 1061174320 /nfs/dbraw/zinc/17/43/20/1061174320.db2.gz NMFAYMAKYXCDQD-SZVBFZGTSA-N 1 3 320.908 4.298 20 0 DIADHO CN1CCCC[C@@H](C[NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC001462443650 1061177776 /nfs/dbraw/zinc/17/77/76/1061177776.db2.gz YOVIMIWGGQVCLL-SCCNAQOGSA-N 1 3 314.517 4.282 20 0 DIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCSC(C)(C)C3)CC2)C1 ZINC001462618796 1061301675 /nfs/dbraw/zinc/30/16/75/1061301675.db2.gz LWRDPNZWTXRLOP-NXHRZFHOSA-N 1 3 324.578 4.293 20 0 DIADHO CN(CCCC[NH+]1CCCCC1)Cc1ccc(F)c(Cl)c1 ZINC001473749630 1061391332 /nfs/dbraw/zinc/39/13/32/1061391332.db2.gz NMFIAEASTKIKTG-UHFFFAOYSA-N 1 3 312.860 4.177 20 0 DIADHO C[N@@H+]1CC[C@H](N[C@@H](Cc2ccccc2)c2ccccc2)CC1(C)C ZINC001473921468 1061471022 /nfs/dbraw/zinc/47/10/22/1061471022.db2.gz MRCDLQQFXVQKDS-SFTDATJTSA-N 1 3 322.496 4.433 20 0 DIADHO C[N@H+]1CC[C@H](N[C@@H](Cc2ccccc2)c2ccccc2)CC1(C)C ZINC001473921468 1061471034 /nfs/dbraw/zinc/47/10/34/1061471034.db2.gz MRCDLQQFXVQKDS-SFTDATJTSA-N 1 3 322.496 4.433 20 0 DIADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C2CCC(C3CCC3)CC2)C1 ZINC001473935949 1061481888 /nfs/dbraw/zinc/48/18/88/1061481888.db2.gz RHKUAYOEUKQUGS-FWYSVENZSA-N 1 3 306.538 4.303 20 0 DIADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cc(Cl)ccc1F ZINC001473937074 1061482776 /nfs/dbraw/zinc/48/27/76/1061482776.db2.gz KNGNVOGNKNOBKG-AWEZNQCLSA-N 1 3 312.860 4.223 20 0 DIADHO C[C@H]1CCCC[N@H+]1CCCCNCc1cc(Cl)ccc1F ZINC001473937074 1061482781 /nfs/dbraw/zinc/48/27/81/1061482781.db2.gz KNGNVOGNKNOBKG-AWEZNQCLSA-N 1 3 312.860 4.223 20 0 DIADHO c1ccc(-c2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2)cc1 ZINC001473940536 1061485316 /nfs/dbraw/zinc/48/53/16/1061485316.db2.gz HSGMHWJBOJNXDX-UHFFFAOYSA-N 1 3 320.480 4.318 20 0 DIADHO C[C@H]1CCCC[C@H]1C[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001473968583 1061513365 /nfs/dbraw/zinc/51/33/65/1061513365.db2.gz AIBAPKUECRWIMS-HKUYNNGSSA-N 1 3 306.538 4.447 20 0 DIADHO C[C@H](C[NH2+]Cc1ccc(-c2ccccc2)c(Cl)c1)CN(C)C ZINC001474161750 1061703792 /nfs/dbraw/zinc/70/37/92/1061703792.db2.gz DRYWPXJUMZPHMT-OAHLLOKOSA-N 1 3 316.876 4.294 20 0 DIADHO C[N@@H+]1CCCC[C@@H](CNCc2ccccc2-c2ccccc2)C1 ZINC001474210618 1061765493 /nfs/dbraw/zinc/76/54/93/1061765493.db2.gz XMBXGCBTTOSYFL-SFHVURJKSA-N 1 3 308.469 4.175 20 0 DIADHO C[N@H+]1CCCC[C@@H](CNCc2ccccc2-c2ccccc2)C1 ZINC001474210618 1061765503 /nfs/dbraw/zinc/76/55/03/1061765503.db2.gz XMBXGCBTTOSYFL-SFHVURJKSA-N 1 3 308.469 4.175 20 0 DIADHO CN1CCCC[C@@H](C[NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC001474210618 1061765515 /nfs/dbraw/zinc/76/55/15/1061765515.db2.gz XMBXGCBTTOSYFL-SFHVURJKSA-N 1 3 308.469 4.175 20 0 DIADHO Cc1cccc(CC[C@@H](C)[NH2+]CC[C@H](C)N2CCCCC2)c1 ZINC001474436982 1062114735 /nfs/dbraw/zinc/11/47/35/1062114735.db2.gz QVHDHKZRXWOJKG-MOPGFXCFSA-N 1 3 302.506 4.170 20 0 DIADHO COc1cccc(CN(CCC[NH+]2CCCCC2)CC(C)C)c1 ZINC001459424482 1062142257 /nfs/dbraw/zinc/14/22/57/1062142257.db2.gz YDAKXQHIHNHJDH-UHFFFAOYSA-N 1 3 318.505 4.029 20 0 DIADHO CCN(Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C)CC1 ZINC001254532628 1062163517 /nfs/dbraw/zinc/16/35/17/1062163517.db2.gz VMIUMVWUTKBJSH-INIZCTEOSA-N 1 3 314.395 4.012 20 0 DIADHO CCN(Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254532628 1062163528 /nfs/dbraw/zinc/16/35/28/1062163528.db2.gz VMIUMVWUTKBJSH-INIZCTEOSA-N 1 3 314.395 4.012 20 0 DIADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(C3CCCC3)cc2)C1 ZINC001474506044 1062187509 /nfs/dbraw/zinc/18/75/09/1062187509.db2.gz ZPBRPNKUARFRNG-NHCUHLMSSA-N 1 3 312.501 4.260 20 0 DIADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(C3CCCC3)cc2)C1 ZINC001474506044 1062187516 /nfs/dbraw/zinc/18/75/16/1062187516.db2.gz ZPBRPNKUARFRNG-NHCUHLMSSA-N 1 3 312.501 4.260 20 0 DIADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(C3CCCC3)cc2)C1 ZINC001474506044 1062187528 /nfs/dbraw/zinc/18/75/28/1062187528.db2.gz ZPBRPNKUARFRNG-NHCUHLMSSA-N 1 3 312.501 4.260 20 0 DIADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(C3CCCC3)cc2)C1 ZINC001474506044 1062187536 /nfs/dbraw/zinc/18/75/36/1062187536.db2.gz ZPBRPNKUARFRNG-NHCUHLMSSA-N 1 3 312.501 4.260 20 0 DIADHO Cc1cc2cc(C[NH2+]C3CCN(CCC(C)C)CC3)ccc2[nH]1 ZINC001474507347 1062191649 /nfs/dbraw/zinc/19/16/49/1062191649.db2.gz KCGVJCOXORXPJD-UHFFFAOYSA-N 1 3 313.489 4.076 20 0 DIADHO CN1CCCC[C@H]1CC[N@H+](C)[C@H]1CCc2c1cccc2Cl ZINC001459571131 1062215516 /nfs/dbraw/zinc/21/55/16/1062215516.db2.gz FAELUBCFPQIXBO-KSSFIOAISA-N 1 3 306.881 4.134 20 0 DIADHO CN1CCCC[C@H]1CC[N@@H+](C)[C@H]1CCc2c1cccc2Cl ZINC001459571131 1062215536 /nfs/dbraw/zinc/21/55/36/1062215536.db2.gz FAELUBCFPQIXBO-KSSFIOAISA-N 1 3 306.881 4.134 20 0 DIADHO CC[NH+](CC)C[C@@H]1CCN(Cc2c(C)ccc3ccccc32)C1 ZINC001459576693 1062219716 /nfs/dbraw/zinc/21/97/16/1062219716.db2.gz QNBAAIQYUAPBTI-SFHVURJKSA-N 1 3 310.485 4.312 20 0 DIADHO C[C@H]1C[C@H](CCN2CC[C@H](C[N@H+](C)CC3CC3)C2)C[C@@H](C)C1 ZINC001459625543 1062262195 /nfs/dbraw/zinc/26/21/95/1062262195.db2.gz TVWVEUZDBHMPHB-LCLWPZTBSA-N 1 3 306.538 4.113 20 0 DIADHO C[C@H]1C[C@H](CCN2CC[C@H](C[N@@H+](C)CC3CC3)C2)C[C@@H](C)C1 ZINC001459625543 1062262214 /nfs/dbraw/zinc/26/22/14/1062262214.db2.gz TVWVEUZDBHMPHB-LCLWPZTBSA-N 1 3 306.538 4.113 20 0 DIADHO C[N@@H+]1CCC[C@@H]1CCN[C@@H](Cc1ccccc1)c1ccccc1 ZINC001459751356 1062362875 /nfs/dbraw/zinc/36/28/75/1062362875.db2.gz ZXAONUGSAUCGRY-RTWAWAEBSA-N 1 3 308.469 4.044 20 0 DIADHO C[N@H+]1CCC[C@@H]1CCN[C@@H](Cc1ccccc1)c1ccccc1 ZINC001459751356 1062362884 /nfs/dbraw/zinc/36/28/84/1062362884.db2.gz ZXAONUGSAUCGRY-RTWAWAEBSA-N 1 3 308.469 4.044 20 0 DIADHO CN1CCC[C@@H]1CC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC001459751356 1062362903 /nfs/dbraw/zinc/36/29/03/1062362903.db2.gz ZXAONUGSAUCGRY-RTWAWAEBSA-N 1 3 308.469 4.044 20 0 DIADHO Cc1oc(C(C)(C)C)cc1C[N@H+]1CCCC[C@H]1[C@@H](C)CN(C)C ZINC001474647168 1062375170 /nfs/dbraw/zinc/37/51/70/1062375170.db2.gz IEQBISBEOCZNGB-YJBOKZPZSA-N 1 3 320.521 4.438 20 0 DIADHO Cc1oc(C(C)(C)C)cc1C[N@@H+]1CCCC[C@H]1[C@@H](C)CN(C)C ZINC001474647168 1062375185 /nfs/dbraw/zinc/37/51/85/1062375185.db2.gz IEQBISBEOCZNGB-YJBOKZPZSA-N 1 3 320.521 4.438 20 0 DIADHO Cc1oc(C(C)(C)C)cc1C[N@H+]1CCCC[C@@H]1[C@H](C)CN(C)C ZINC001474647165 1062375824 /nfs/dbraw/zinc/37/58/24/1062375824.db2.gz IEQBISBEOCZNGB-CRAIPNDOSA-N 1 3 320.521 4.438 20 0 DIADHO Cc1oc(C(C)(C)C)cc1C[N@@H+]1CCCC[C@@H]1[C@H](C)CN(C)C ZINC001474647165 1062375844 /nfs/dbraw/zinc/37/58/44/1062375844.db2.gz IEQBISBEOCZNGB-CRAIPNDOSA-N 1 3 320.521 4.438 20 0 DIADHO CC[C@@H](N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC001255392493 1062428108 /nfs/dbraw/zinc/42/81/08/1062428108.db2.gz FMRABEGNBSRIAD-NHCUHLMSSA-N 1 3 323.484 4.177 20 0 DIADHO CC[C@@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC001255392493 1062428117 /nfs/dbraw/zinc/42/81/17/1062428117.db2.gz FMRABEGNBSRIAD-NHCUHLMSSA-N 1 3 323.484 4.177 20 0 DIADHO c1ccc(C[N@@H+]2CCC[C@@H](N3Cc4ccccc4C3)CC2)cc1 ZINC001255399576 1062433712 /nfs/dbraw/zinc/43/37/12/1062433712.db2.gz VJUFPLARKXXUMN-OAQYLSRUSA-N 1 3 306.453 4.057 20 0 DIADHO c1ccc(C[N@H+]2CCC[C@@H](N3Cc4ccccc4C3)CC2)cc1 ZINC001255399576 1062433724 /nfs/dbraw/zinc/43/37/24/1062433724.db2.gz VJUFPLARKXXUMN-OAQYLSRUSA-N 1 3 306.453 4.057 20 0 DIADHO C[N@H+](Cc1ccsc1)[C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255407133 1062438363 /nfs/dbraw/zinc/43/83/63/1062438363.db2.gz WSPCGXDAQMHJOL-IBGZPJMESA-N 1 3 314.498 4.235 20 0 DIADHO C[N@@H+](Cc1ccsc1)[C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255407133 1062438366 /nfs/dbraw/zinc/43/83/66/1062438366.db2.gz WSPCGXDAQMHJOL-IBGZPJMESA-N 1 3 314.498 4.235 20 0 DIADHO CC1([NH+]2CCCC2)CCC(NCc2ccc(Cl)cc2F)CC1 ZINC001474712517 1062439704 /nfs/dbraw/zinc/43/97/04/1062439704.db2.gz XIQDCWMPMDEKJJ-UHFFFAOYSA-N 1 3 324.871 4.366 20 0 DIADHO CCC(CC)N1CCC([NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC001255509888 1062467214 /nfs/dbraw/zinc/46/72/14/1062467214.db2.gz BNWZCQZWLRFYKV-UHFFFAOYSA-N 1 3 320.443 4.350 20 0 DIADHO CCC(CC)N1CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001255698517 1062524349 /nfs/dbraw/zinc/52/43/49/1062524349.db2.gz XXIXWMWRPSDBTO-DZGCQCFKSA-N 1 3 320.443 4.350 20 0 DIADHO Cc1ccc(C[C@@H](C)N[C@@H](CC[NH+](C)C)c2ccccc2)cc1 ZINC001255772157 1062597752 /nfs/dbraw/zinc/59/77/52/1062597752.db2.gz GALVXBDPMBRAGH-NQIIRXRSSA-N 1 3 310.485 4.209 20 0 DIADHO NC1(Cc2cccc(Cl)c2)CC[NH+](C2CCCCCC2)CC1 ZINC001255884590 1062656016 /nfs/dbraw/zinc/65/60/16/1062656016.db2.gz ABABSTHTBDYUGY-UHFFFAOYSA-N 1 3 320.908 4.399 20 0 DIADHO CCN(CC)CC[C@@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC001255945560 1062666864 /nfs/dbraw/zinc/66/68/64/1062666864.db2.gz GMRHRWDJRJPLMQ-OAHLLOKOSA-N 1 3 308.897 4.082 20 0 DIADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC001255948236 1062668777 /nfs/dbraw/zinc/66/87/77/1062668777.db2.gz HXCKBLROTRZNFR-DNVCBOLYSA-N 1 3 306.469 4.377 20 0 DIADHO CCN(CC)CC[C@@H](C)[NH2+]C1(CC2CC2)CCC(F)(F)CC1 ZINC001255952632 1062669950 /nfs/dbraw/zinc/66/99/50/1062669950.db2.gz GCLKYABTYGWHSK-OAHLLOKOSA-N 1 3 316.480 4.445 20 0 DIADHO CCN(CC)CC[C@H](C)[NH2+]C1(Cc2cccc(F)c2)CCC1 ZINC001255951765 1062671264 /nfs/dbraw/zinc/67/12/64/1062671264.db2.gz AQYOAIWMCZWCNB-INIZCTEOSA-N 1 3 306.469 4.001 20 0 DIADHO CN(C1CC1)C1CC[NH+]([C@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001256121328 1062718995 /nfs/dbraw/zinc/71/89/95/1062718995.db2.gz PPZPQOZJMDWHFA-RXVVDRJESA-N 1 3 312.501 4.271 20 0 DIADHO C[N@H+](C1CC1)C1CCN([C@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001256121328 1062719015 /nfs/dbraw/zinc/71/90/15/1062719015.db2.gz PPZPQOZJMDWHFA-RXVVDRJESA-N 1 3 312.501 4.271 20 0 DIADHO C[N@@H+](C1CC1)C1CCN([C@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001256121328 1062719037 /nfs/dbraw/zinc/71/90/37/1062719037.db2.gz PPZPQOZJMDWHFA-RXVVDRJESA-N 1 3 312.501 4.271 20 0 DIADHO C[C@@]1(Cc2cccc(F)c2)CCCN1CCC[NH+]1CCCCC1 ZINC001460274460 1062751723 /nfs/dbraw/zinc/75/17/23/1062751723.db2.gz DZPSLLPOKIRJFF-FQEVSTJZSA-N 1 3 318.480 4.099 20 0 DIADHO CC(C)CC[C@@H](C)N1CCC([NH3+])(c2ccc(Cl)cc2)CC1 ZINC001256359912 1062785081 /nfs/dbraw/zinc/78/50/81/1062785081.db2.gz AIFAHBJQEAWLLW-OAHLLOKOSA-N 1 3 308.897 4.415 20 0 DIADHO CC(C)(C)[NH+]1CCC(N[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001256569283 1062892989 /nfs/dbraw/zinc/89/29/89/1062892989.db2.gz ZBRGOWZCTXMUSU-IAGOWNOFSA-N 1 3 306.881 4.048 20 0 DIADHO CCC1CCC([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)CC1 ZINC001256870868 1063025068 /nfs/dbraw/zinc/02/50/68/1063025068.db2.gz YUPSUMLRPSMQER-JLAWEPINSA-N 1 3 304.522 4.366 20 0 DIADHO CCC1CCC([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)CC1 ZINC001256870869 1063026086 /nfs/dbraw/zinc/02/60/86/1063026086.db2.gz YUPSUMLRPSMQER-XBMUEBEBSA-N 1 3 304.522 4.366 20 0 DIADHO CCC(CC)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001257292201 1063182691 /nfs/dbraw/zinc/18/26/91/1063182691.db2.gz UJSARWYQGNOWKI-UHFFFAOYSA-N 1 3 308.897 4.330 20 0 DIADHO CCC[C@H](C)N1CCC([NH3+])(c2cccc(C(F)(F)F)c2)CC1 ZINC001257313120 1063199376 /nfs/dbraw/zinc/19/93/76/1063199376.db2.gz LFLZXMXGGQCBLQ-ZDUSSCGKSA-N 1 3 314.395 4.144 20 0 DIADHO CS[C@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC001461132644 1063283145 /nfs/dbraw/zinc/28/31/45/1063283145.db2.gz RORSZHDXODCNJJ-MOPGFXCFSA-N 1 3 324.578 4.295 20 0 DIADHO CCC[C@@H](C)CC[C@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001257478907 1063301505 /nfs/dbraw/zinc/30/15/05/1063301505.db2.gz XQNOQVLHURMDEU-MSOLQXFVSA-N 1 3 324.553 4.072 20 0 DIADHO C[NH+](C)CC[C@@H](NCc1cccc(OC(C)(C)C)c1)C(C)(C)C ZINC001461196427 1063322782 /nfs/dbraw/zinc/32/27/82/1063322782.db2.gz ZGHAJYDUVQGESB-GOSISDBHSA-N 1 3 320.521 4.320 20 0 DIADHO CN(C1CC1)C1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC001257998389 1063456087 /nfs/dbraw/zinc/45/60/87/1063456087.db2.gz FAJSIOVNWXCVRU-UHFFFAOYSA-N 1 3 312.501 4.271 20 0 DIADHO C[N@H+](C1CC1)C1CCN(C2CCC(c3ccccc3)CC2)CC1 ZINC001257998389 1063456099 /nfs/dbraw/zinc/45/60/99/1063456099.db2.gz FAJSIOVNWXCVRU-UHFFFAOYSA-N 1 3 312.501 4.271 20 0 DIADHO C[N@@H+](C1CC1)C1CCN(C2CCC(c3ccccc3)CC2)CC1 ZINC001257998389 1063456111 /nfs/dbraw/zinc/45/61/11/1063456111.db2.gz FAJSIOVNWXCVRU-UHFFFAOYSA-N 1 3 312.501 4.271 20 0 DIADHO CC(C)CN1CCC([NH2+]CCc2ccc3ccccc3c2)CC1 ZINC001258003587 1063458599 /nfs/dbraw/zinc/45/85/99/1063458599.db2.gz MLHVGNRJSNPSFP-UHFFFAOYSA-N 1 3 310.485 4.092 20 0 DIADHO Cc1ccc([C@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1Cl ZINC001258005462 1063461184 /nfs/dbraw/zinc/46/11/84/1063461184.db2.gz SBYZRAAPRBZQKP-HNNXBMFYSA-N 1 3 308.897 4.419 20 0 DIADHO CC(C)CN1CCC([NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC001258008627 1063461446 /nfs/dbraw/zinc/46/14/46/1063461446.db2.gz AMFCWHYMSOBJSC-IBGZPJMESA-N 1 3 320.908 4.427 20 0 DIADHO CC(C)c1ccccc1CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001461463732 1063523010 /nfs/dbraw/zinc/52/30/10/1063523010.db2.gz YGVMCKUGNSSXPT-FQEVSTJZSA-N 1 3 322.496 4.422 20 0 DIADHO CC(C)c1ccccc1CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001461463732 1063523027 /nfs/dbraw/zinc/52/30/27/1063523027.db2.gz YGVMCKUGNSSXPT-FQEVSTJZSA-N 1 3 322.496 4.422 20 0 DIADHO Cc1cccc2c1CN(C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258140985 1063532548 /nfs/dbraw/zinc/53/25/48/1063532548.db2.gz QKNNYCBJWGMCSF-UHFFFAOYSA-N 1 3 320.480 4.018 20 0 DIADHO NC1(Cc2ccccc2)CC[NH+](C2CCCCCCC2)CC1 ZINC001258237208 1063574697 /nfs/dbraw/zinc/57/46/97/1063574697.db2.gz DWNDOLOEBUBZJK-UHFFFAOYSA-N 1 3 300.490 4.135 20 0 DIADHO NC1(Cc2cccc(F)c2)CC[NH+](C2CCCCCCC2)CC1 ZINC001258237731 1063576276 /nfs/dbraw/zinc/57/62/76/1063576276.db2.gz ROJYGUHOCBXNMT-UHFFFAOYSA-N 1 3 318.480 4.274 20 0 DIADHO CC(C)[N@H+](CCCN)[C@H](C)CC(C)(C)SCc1ccco1 ZINC001258295647 1063593227 /nfs/dbraw/zinc/59/32/27/1063593227.db2.gz PMOQCSFTVFZEAR-OAHLLOKOSA-N 1 3 312.523 4.129 20 0 DIADHO CC(C)[N@@H+](CCCN)[C@H](C)CC(C)(C)SCc1ccco1 ZINC001258295647 1063593239 /nfs/dbraw/zinc/59/32/39/1063593239.db2.gz PMOQCSFTVFZEAR-OAHLLOKOSA-N 1 3 312.523 4.129 20 0 DIADHO CSC(C)(C)C[C@H](C)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001258315019 1063606899 /nfs/dbraw/zinc/60/68/99/1063606899.db2.gz JKYSZCIOQVOLOH-RDJZCZTQSA-N 1 3 308.535 4.189 20 0 DIADHO CSC(C)(C)C[C@@H](C)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001258330746 1063615166 /nfs/dbraw/zinc/61/51/66/1063615166.db2.gz FLICWTKSAMSLGL-SJORKVTESA-N 1 3 324.578 4.317 20 0 DIADHO CN1CC[C@@H]([NH2+]Cc2ccc(-c3cccs3)cc2)CC1(C)C ZINC001461622781 1063618818 /nfs/dbraw/zinc/61/88/18/1063618818.db2.gz SAWHQIFOCSBAKW-QGZVFWFLSA-N 1 3 314.498 4.378 20 0 DIADHO CC1(C)CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001258599124 1063702840 /nfs/dbraw/zinc/70/28/40/1063702840.db2.gz TWULZQVMIVJAFW-GOSISDBHSA-N 1 3 318.480 4.206 20 0 DIADHO CC1(C)CC[C@@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001258606788 1063708825 /nfs/dbraw/zinc/70/88/25/1063708825.db2.gz CDLWHVVEJWSOHQ-LJQANCHMSA-N 1 3 312.501 4.163 20 0 DIADHO CCC[C@H](Cc1ccccc1)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001258651236 1063724428 /nfs/dbraw/zinc/72/44/28/1063724428.db2.gz LKNJZOQODGOSJF-GOSISDBHSA-N 1 3 302.506 4.378 20 0 DIADHO CCCCC[C@@H](CCC)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001258667670 1063735319 /nfs/dbraw/zinc/73/53/19/1063735319.db2.gz RBCIIEBGVOXPEJ-LJQANCHMSA-N 1 3 324.553 4.216 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)[N@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001258713155 1063768232 /nfs/dbraw/zinc/76/82/32/1063768232.db2.gz DBBLFMYSZQESHW-HBMCJLEFSA-N 1 3 314.517 4.062 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001258713155 1063768237 /nfs/dbraw/zinc/76/82/37/1063768237.db2.gz DBBLFMYSZQESHW-HBMCJLEFSA-N 1 3 314.517 4.062 20 0 DIADHO C[C@@H](Cc1cccc(Cl)c1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001258741618 1063791533 /nfs/dbraw/zinc/79/15/33/1063791533.db2.gz NBARULUTZGJBOB-MAUKXSAKSA-N 1 3 320.908 4.268 20 0 DIADHO C[C@@H](Cc1cccc(Cl)c1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001258741618 1063791547 /nfs/dbraw/zinc/79/15/47/1063791547.db2.gz NBARULUTZGJBOB-MAUKXSAKSA-N 1 3 320.908 4.268 20 0 DIADHO CCCN1CCC([NH2+]Cc2ccc(-c3ccsc3)cc2)CC1 ZINC001258768369 1063814105 /nfs/dbraw/zinc/81/41/05/1063814105.db2.gz LGXWWRCJMHAKAY-UHFFFAOYSA-N 1 3 314.498 4.379 20 0 DIADHO CCC[NH+]1CCC(N2CCC(Sc3ccccc3)CC2)CC1 ZINC001258775706 1063816432 /nfs/dbraw/zinc/81/64/32/1063816432.db2.gz AOENHXNBQXPCMU-UHFFFAOYSA-N 1 3 318.530 4.118 20 0 DIADHO CC[C@@H](C)C[C@H](CC)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001258784683 1063821072 /nfs/dbraw/zinc/82/10/72/1063821072.db2.gz SESADLUXPHUZHQ-MJGOQNOKSA-N 1 3 317.521 4.098 20 0 DIADHO CC[NH+](CC)CCC[C@@H](C)N[C@H](c1ncccc1Cl)C1CC1 ZINC001258904688 1063877772 /nfs/dbraw/zinc/87/77/72/1063877772.db2.gz KCVHMMGJXVQUFK-PBHICJAKSA-N 1 3 323.912 4.286 20 0 DIADHO c1ccc(CN2CCCC[C@@H](C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000378965538 1063983102 /nfs/dbraw/zinc/98/31/02/1063983102.db2.gz UERFFAUBMPZUJW-WOZUAGRISA-N 1 3 312.501 4.067 20 0 DIADHO Cc1cccc(C)c1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379628059 1063985161 /nfs/dbraw/zinc/98/51/61/1063985161.db2.gz IOFGYHZQIVKXKW-PZJWPPBQSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1cccc(C)c1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379628059 1063985166 /nfs/dbraw/zinc/98/51/66/1063985166.db2.gz IOFGYHZQIVKXKW-PZJWPPBQSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1cccc(C)c1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379628043 1063985245 /nfs/dbraw/zinc/98/52/45/1063985245.db2.gz IOFGYHZQIVKXKW-CTNGQTDRSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1cccc(C)c1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379628043 1063985252 /nfs/dbraw/zinc/98/52/52/1063985252.db2.gz IOFGYHZQIVKXKW-CTNGQTDRSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1ccc(C)c(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379635007 1063985288 /nfs/dbraw/zinc/98/52/88/1063985288.db2.gz PZTGDESPVQJSQC-KNQAVFIVSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1ccc(C)c(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379635007 1063985297 /nfs/dbraw/zinc/98/52/97/1063985297.db2.gz PZTGDESPVQJSQC-KNQAVFIVSA-N 1 3 322.496 4.446 20 0 DIADHO C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)CCCC2 ZINC000390848065 1064171166 /nfs/dbraw/zinc/17/11/66/1064171166.db2.gz CBRPBKQNKPAJLX-KOVLHOQQSA-N 1 3 312.501 4.231 20 0 DIADHO C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)CCCC2 ZINC000390848065 1064171171 /nfs/dbraw/zinc/17/11/71/1064171171.db2.gz CBRPBKQNKPAJLX-KOVLHOQQSA-N 1 3 312.501 4.231 20 0 DIADHO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000393946117 1064313007 /nfs/dbraw/zinc/31/30/07/1064313007.db2.gz FYLLLRXBIDTOMQ-CMKODMSKSA-N 1 3 302.506 4.313 20 0 DIADHO CC[N@H+](CC[C@@H]1CCCN1C)Cc1ccc(C(F)(F)F)cc1 ZINC001307434697 1065393931 /nfs/dbraw/zinc/39/39/31/1065393931.db2.gz XTCKEDGJUNZOCR-INIZCTEOSA-N 1 3 314.395 4.012 20 0 DIADHO CC[N@@H+](CC[C@@H]1CCCN1C)Cc1ccc(C(F)(F)F)cc1 ZINC001307434697 1065393944 /nfs/dbraw/zinc/39/39/44/1065393944.db2.gz XTCKEDGJUNZOCR-INIZCTEOSA-N 1 3 314.395 4.012 20 0 DIADHO Cc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)c(Cl)c1 ZINC001307455913 1065410574 /nfs/dbraw/zinc/41/05/74/1065410574.db2.gz UJCXSSRFACWXOT-UHFFFAOYSA-N 1 3 308.897 4.201 20 0 DIADHO Cc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)c(Cl)c1 ZINC001307455913 1065410584 /nfs/dbraw/zinc/41/05/84/1065410584.db2.gz UJCXSSRFACWXOT-UHFFFAOYSA-N 1 3 308.897 4.201 20 0 DIADHO Cc1ccc(CC2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC001307605657 1065512151 /nfs/dbraw/zinc/51/21/51/1065512151.db2.gz JTZNRCYJHURNCG-UHFFFAOYSA-N 1 3 314.517 4.126 20 0 DIADHO CC(C)Cc1ccc([C@@H]([NH2+]CC[C@@H]2CCCN2C)C2CC2)cc1 ZINC001307614334 1065518975 /nfs/dbraw/zinc/51/89/75/1065518975.db2.gz GEYZCXBTFBNKQH-LEWJYISDSA-N 1 3 314.517 4.410 20 0 DIADHO CC(C)Cc1ccc([C@@H](NCC[C@@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC001307614334 1065518990 /nfs/dbraw/zinc/51/89/90/1065518990.db2.gz GEYZCXBTFBNKQH-LEWJYISDSA-N 1 3 314.517 4.410 20 0 DIADHO CC(C)Cc1ccc([C@@H](NCC[C@@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC001307614334 1065519004 /nfs/dbraw/zinc/51/90/04/1065519004.db2.gz GEYZCXBTFBNKQH-LEWJYISDSA-N 1 3 314.517 4.410 20 0 DIADHO c1cc(C2CCCC2)ccc1C[NH2+]CCCN1CCCCC1 ZINC001308186266 1065798003 /nfs/dbraw/zinc/79/80/03/1065798003.db2.gz VJYGUMZGGPOLPI-UHFFFAOYSA-N 1 3 300.490 4.310 20 0 DIADHO CC(C)CN1CCC([NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC001308192890 1065800810 /nfs/dbraw/zinc/80/08/10/1065800810.db2.gz AONNHCWSHLBUAT-UHFFFAOYSA-N 1 3 314.448 4.189 20 0 DIADHO CC(C)Cc1ccc(C[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC001308193036 1065804533 /nfs/dbraw/zinc/80/45/33/1065804533.db2.gz KZLPBPYLLLLJDF-UHFFFAOYSA-N 1 3 302.506 4.095 20 0 DIADHO C[C@H](CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1)N(C)C ZINC001308479079 1066018288 /nfs/dbraw/zinc/01/82/88/1066018288.db2.gz MLZLJIBUZVMWNN-CYBMUJFWSA-N 1 3 322.905 4.498 20 0 DIADHO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1Cl ZINC001308573277 1066086492 /nfs/dbraw/zinc/08/64/92/1066086492.db2.gz FHOKAPCNFCMDQJ-VQIMIIECSA-N 1 3 318.892 4.097 20 0 DIADHO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1Cl ZINC001308573277 1066086500 /nfs/dbraw/zinc/08/65/00/1066086500.db2.gz FHOKAPCNFCMDQJ-VQIMIIECSA-N 1 3 318.892 4.097 20 0 DIADHO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1Cl ZINC001308573275 1066086669 /nfs/dbraw/zinc/08/66/69/1066086669.db2.gz FHOKAPCNFCMDQJ-LPHOPBHVSA-N 1 3 318.892 4.097 20 0 DIADHO Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1Cl ZINC001308573275 1066086680 /nfs/dbraw/zinc/08/66/80/1066086680.db2.gz FHOKAPCNFCMDQJ-LPHOPBHVSA-N 1 3 318.892 4.097 20 0 DIADHO CCCc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC001308576059 1066090464 /nfs/dbraw/zinc/09/04/64/1066090464.db2.gz YJKMXAOOFVWKDU-DNVCBOLYSA-N 1 3 318.530 4.149 20 0 DIADHO CCCc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC001308576059 1066090471 /nfs/dbraw/zinc/09/04/71/1066090471.db2.gz YJKMXAOOFVWKDU-DNVCBOLYSA-N 1 3 318.530 4.149 20 0 DIADHO CN1CCCC[C@@H]1CC[N@H+](C)Cc1ccc(F)c2ccccc12 ZINC001308600250 1066109759 /nfs/dbraw/zinc/10/97/59/1066109759.db2.gz JXXHOESWQZTXCN-QGZVFWFLSA-N 1 3 314.448 4.285 20 0 DIADHO CN1CCCC[C@@H]1CC[N@@H+](C)Cc1ccc(F)c2ccccc12 ZINC001308600250 1066109762 /nfs/dbraw/zinc/10/97/62/1066109762.db2.gz JXXHOESWQZTXCN-QGZVFWFLSA-N 1 3 314.448 4.285 20 0 DIADHO C[C@H](CC[NH2+]C1CC(Sc2ccccc2)C1)N1CCCCC1 ZINC001308683006 1066153968 /nfs/dbraw/zinc/15/39/68/1066153968.db2.gz KDLMCXFPTBCAHX-LRYGQEGESA-N 1 3 318.530 4.164 20 0 DIADHO Cc1cc(CC[NH2+]C2CCN(CCC(C)C)CC2)ccc1Cl ZINC001308788700 1066263733 /nfs/dbraw/zinc/26/37/33/1066263733.db2.gz TWNBREIDNCPVGB-UHFFFAOYSA-N 1 3 322.924 4.291 20 0 DIADHO CC(C)CCN1CCC([NH2+]CCC[C@@H]2CC2(Cl)Cl)CC1 ZINC001308844101 1066321495 /nfs/dbraw/zinc/32/14/95/1066321495.db2.gz XSRNTZFMXRLQHC-CQSZACIVSA-N 1 3 321.336 4.061 20 0 DIADHO C[C@H](CC[NH2+]CCCCc1ccc(Cl)c(Cl)c1)N(C)C ZINC001308882329 1066363206 /nfs/dbraw/zinc/36/32/06/1066363206.db2.gz GFSVOQFYKQZQIW-CYBMUJFWSA-N 1 3 317.304 4.246 20 0 DIADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC001308863994 1066344753 /nfs/dbraw/zinc/34/47/53/1066344753.db2.gz OPQUYGDXAZVQLL-AYOQOUSVSA-N 1 3 320.908 4.298 20 0 DIADHO CSC1(C[NH2+]C2CCN(CCC(C)C)CC2)CCCCC1 ZINC001308941542 1066409766 /nfs/dbraw/zinc/40/97/66/1066409766.db2.gz CLTAQDREORRKDK-UHFFFAOYSA-N 1 3 312.567 4.152 20 0 DIADHO CCN(CC)CC[C@H]([NH2+][C@H]1C[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC001308981210 1066431958 /nfs/dbraw/zinc/43/19/58/1066431958.db2.gz GDNSXRTWHIHANG-MUGJNUQGSA-N 1 3 300.490 4.238 20 0 DIADHO c1cc2cc(C[NH2+]C3CCN(c4ccncc4)CC3)ccc2s1 ZINC000297446179 132015287 /nfs/dbraw/zinc/01/52/87/132015287.db2.gz OQHHHDPFSJXLEP-UHFFFAOYSA-N 1 3 323.465 4.055 20 0 DIADHO Cc1cc([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)c(C)s1 ZINC000171128392 332855403 /nfs/dbraw/zinc/85/54/03/332855403.db2.gz SDUWLNLRMHUAIR-CQSZACIVSA-N 1 3 302.487 4.277 20 0 DIADHO Cc1sccc1CNC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000559273244 332011899 /nfs/dbraw/zinc/01/18/99/332011899.db2.gz KVTLCIRRUPWJOF-RDJZCZTQSA-N 1 3 320.527 4.291 20 0 DIADHO Cc1sccc1CNC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000559273244 332011900 /nfs/dbraw/zinc/01/19/00/332011900.db2.gz KVTLCIRRUPWJOF-RDJZCZTQSA-N 1 3 320.527 4.291 20 0 DIADHO CC(C)[N@H+](C)Cc1ccccc1CNc1ccnc2ccccc21 ZINC000518374887 332020909 /nfs/dbraw/zinc/02/09/09/332020909.db2.gz WVICMOHFCJXJQP-UHFFFAOYSA-N 1 3 319.452 4.109 20 0 DIADHO CC(C)[N@@H+](C)Cc1ccccc1CNc1ccnc2ccccc21 ZINC000518374887 332020910 /nfs/dbraw/zinc/02/09/10/332020910.db2.gz WVICMOHFCJXJQP-UHFFFAOYSA-N 1 3 319.452 4.109 20 0 DIADHO C[N@@H+]1CC[C@H](NC/C=C/c2ccccc2)C[C@H]1c1ccccc1 ZINC000518407648 332027529 /nfs/dbraw/zinc/02/75/29/332027529.db2.gz HONSJOIAGSPZEK-GEDDFEBSSA-N 1 3 306.453 4.125 20 0 DIADHO C[N@H+]1CC[C@H](NC/C=C/c2ccccc2)C[C@H]1c1ccccc1 ZINC000518407648 332027530 /nfs/dbraw/zinc/02/75/30/332027530.db2.gz HONSJOIAGSPZEK-GEDDFEBSSA-N 1 3 306.453 4.125 20 0 DIADHO CCC[NH+]1CCC(N(C)CCCSCc2ccccc2)CC1 ZINC000536377699 332234634 /nfs/dbraw/zinc/23/46/34/332234634.db2.gz ILMWMODQYXJLPZ-UHFFFAOYSA-N 1 3 320.546 4.116 20 0 DIADHO C1CCC(N2CCC([NH2+][C@@H]3CCCCC34CCCC4)CC2)C1 ZINC000559773974 332280638 /nfs/dbraw/zinc/28/06/38/332280638.db2.gz KKFJXSGBZILRTN-LJQANCHMSA-N 1 3 304.522 4.486 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC(C)C)c(Cl)c2)C1 ZINC000560247870 332323423 /nfs/dbraw/zinc/32/34/23/332323423.db2.gz GIOANAMGFGYWLA-CABCVRRESA-N 1 3 324.896 4.120 20 0 DIADHO CCCC(CCC)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000560265668 332326476 /nfs/dbraw/zinc/32/64/76/332326476.db2.gz PQDFCHDCPHVGDN-UHFFFAOYSA-N 1 3 318.505 4.218 20 0 DIADHO CCC(CC)[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000378902529 333061911 /nfs/dbraw/zinc/06/19/11/333061911.db2.gz XPWMONWWBJSRPU-AABGKKOBSA-N 1 3 300.490 4.380 20 0 DIADHO CCC(CC)[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000378902529 333061912 /nfs/dbraw/zinc/06/19/12/333061912.db2.gz XPWMONWWBJSRPU-AABGKKOBSA-N 1 3 300.490 4.380 20 0 DIADHO CCC[NH+]1CCC(CNCc2c(Cl)cccc2Cl)CC1 ZINC000518777748 333161802 /nfs/dbraw/zinc/16/18/02/333161802.db2.gz SSWZWUPRSJZFOM-UHFFFAOYSA-N 1 3 315.288 4.205 20 0 DIADHO C[C@H]([NH2+][C@H]1CCCc2occc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310166066 333221455 /nfs/dbraw/zinc/22/14/55/333221455.db2.gz SFHCPDBUJUPSHQ-HQRMLTQVSA-N 1 3 324.468 4.157 20 0 DIADHO C[C@H](C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)CN1CCCC1 ZINC000497823626 333297080 /nfs/dbraw/zinc/29/70/80/333297080.db2.gz TYJHWHPPLCZGKT-UZLBHIALSA-N 1 3 316.464 4.083 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@@H](c2cc3ccccc3o2)C(C)(C)C)C1 ZINC000497829238 333297505 /nfs/dbraw/zinc/29/75/05/333297505.db2.gz RBONCHHGSWMTFL-KXBFYZLASA-N 1 3 314.473 4.451 20 0 DIADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(-c2ccccc2)cc1 ZINC000391944665 335136639 /nfs/dbraw/zinc/13/66/39/335136639.db2.gz QPUPUXJVBMTYCO-ROUUACIJSA-N 1 3 320.480 4.489 20 0 DIADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(-c2ccccc2)cc1 ZINC000391944665 335136641 /nfs/dbraw/zinc/13/66/41/335136641.db2.gz QPUPUXJVBMTYCO-ROUUACIJSA-N 1 3 320.480 4.489 20 0 DIADHO CC(C)N(C)CCC[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000497831358 333299116 /nfs/dbraw/zinc/29/91/16/333299116.db2.gz ISMKRVKQVZHAKV-LJQANCHMSA-N 1 3 304.453 4.082 20 0 DIADHO c1ccc2c(c1)cccc2CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000525786577 333312162 /nfs/dbraw/zinc/31/21/62/333312162.db2.gz FJFJDMFWTULWDY-GOSISDBHSA-N 1 3 308.469 4.148 20 0 DIADHO c1ccc2c(c1)cccc2C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000525786577 333312163 /nfs/dbraw/zinc/31/21/63/333312163.db2.gz FJFJDMFWTULWDY-GOSISDBHSA-N 1 3 308.469 4.148 20 0 DIADHO c1ccc2c(c1)cccc2C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000525786577 333312165 /nfs/dbraw/zinc/31/21/65/333312165.db2.gz FJFJDMFWTULWDY-GOSISDBHSA-N 1 3 308.469 4.148 20 0 DIADHO CC[NH+](CC)Cc1ccc(CNCc2cc(C)ccc2C)cc1 ZINC000390672648 333313201 /nfs/dbraw/zinc/31/32/01/333313201.db2.gz OEQNPOPYWNMZOT-UHFFFAOYSA-N 1 3 310.485 4.435 20 0 DIADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(-c2ccccc2)cc1 ZINC000391944661 335136553 /nfs/dbraw/zinc/13/65/53/335136553.db2.gz QPUPUXJVBMTYCO-MSOLQXFVSA-N 1 3 320.480 4.489 20 0 DIADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(-c2ccccc2)cc1 ZINC000391944661 335136554 /nfs/dbraw/zinc/13/65/54/335136554.db2.gz QPUPUXJVBMTYCO-MSOLQXFVSA-N 1 3 320.480 4.489 20 0 DIADHO CC[NH+](CC)Cc1ccc(CNCc2ccc(C)s2)cc1 ZINC000021801285 333390153 /nfs/dbraw/zinc/39/01/53/333390153.db2.gz QCVPNCZOXDHOCW-UHFFFAOYSA-N 1 3 302.487 4.188 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)NCc1ccc(F)cc1Cl ZINC000021507683 333424079 /nfs/dbraw/zinc/42/40/79/333424079.db2.gz XYYHSXYCWIUEMA-ZDUSSCGKSA-N 1 3 300.849 4.079 20 0 DIADHO CC(C)COc1cccc(CNCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414801704 334102970 /nfs/dbraw/zinc/10/29/70/334102970.db2.gz AMRJIUWLNBABGD-MRXNPFEDSA-N 1 3 312.457 4.031 20 0 DIADHO C[C@H]([NH3+])c1ccc(CNCc2ccccc2C(F)(F)F)cc1 ZINC000414815847 334106820 /nfs/dbraw/zinc/10/68/20/334106820.db2.gz YLNLJNASNARFOK-LBPRGKRZSA-N 1 3 308.347 4.015 20 0 DIADHO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414951384 334207411 /nfs/dbraw/zinc/20/74/11/334207411.db2.gz PTYCUMIMYIOEMN-DFBGVHRSSA-N 1 3 315.288 4.045 20 0 DIADHO CC[C@H](Cc1ccc(Cl)cc1Cl)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414951384 334207413 /nfs/dbraw/zinc/20/74/13/334207413.db2.gz PTYCUMIMYIOEMN-DFBGVHRSSA-N 1 3 315.288 4.045 20 0 DIADHO [NH3+]CCC[C@H](NCc1cc2cc(F)ccc2o1)c1ccccc1 ZINC000415051224 334259068 /nfs/dbraw/zinc/25/90/68/334259068.db2.gz JFKRZHZPAZBRKU-SFHVURJKSA-N 1 3 312.388 4.142 20 0 DIADHO CC(C)Oc1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000415049416 334259092 /nfs/dbraw/zinc/25/90/92/334259092.db2.gz HEAJQKDXQGWFPI-FQEVSTJZSA-N 1 3 312.457 4.044 20 0 DIADHO Cc1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000415051381 334259163 /nfs/dbraw/zinc/25/91/63/334259163.db2.gz JNPCFHLIDUJUNZ-SFHVURJKSA-N 1 3 302.849 4.218 20 0 DIADHO COc1ccc2oc(CN[C@H](CCC[NH3+])c3ccccc3)cc2c1 ZINC000415057708 334261665 /nfs/dbraw/zinc/26/16/65/334261665.db2.gz SHRIVQUOWKDJSN-LJQANCHMSA-N 1 3 324.424 4.011 20 0 DIADHO C1CCC(N2CCC([NH2+]C3CCC4(CCCC4)CC3)CC2)C1 ZINC000582150984 334276238 /nfs/dbraw/zinc/27/62/38/334276238.db2.gz AZPSRHDBVXEIHR-UHFFFAOYSA-N 1 3 304.522 4.486 20 0 DIADHO C[NH+](C)Cc1cccc(CN[C@H](CC2CC2)c2ccccc2)c1 ZINC000531942509 334302222 /nfs/dbraw/zinc/30/22/22/334302222.db2.gz VSTOKGASHSVCTR-OAQYLSRUSA-N 1 3 308.469 4.379 20 0 DIADHO CN(C)Cc1cccc(C[NH2+][C@H](CC2CC2)c2ccccc2)c1 ZINC000531942509 334302224 /nfs/dbraw/zinc/30/22/24/334302224.db2.gz VSTOKGASHSVCTR-OAQYLSRUSA-N 1 3 308.469 4.379 20 0 DIADHO C[C@H](CCc1ccc(F)cc1F)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000514095899 334318169 /nfs/dbraw/zinc/31/81/69/334318169.db2.gz SWXCGBOWMTWMRS-CYBMUJFWSA-N 1 3 324.459 4.185 20 0 DIADHO C[C@H](CCc1ccc(F)cc1F)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000514095899 334318170 /nfs/dbraw/zinc/31/81/70/334318170.db2.gz SWXCGBOWMTWMRS-CYBMUJFWSA-N 1 3 324.459 4.185 20 0 DIADHO CC(C)CCOc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000531972604 334336755 /nfs/dbraw/zinc/33/67/55/334336755.db2.gz ZSWWJTYCZTZFHX-QZTJIDSGSA-N 1 3 318.505 4.104 20 0 DIADHO CC(C)CCOc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000531972604 334336757 /nfs/dbraw/zinc/33/67/57/334336757.db2.gz ZSWWJTYCZTZFHX-QZTJIDSGSA-N 1 3 318.505 4.104 20 0 DIADHO CC(C)c1ccc2c(c1)[C@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000534908388 334345495 /nfs/dbraw/zinc/34/54/95/334345495.db2.gz JIMXKEDKEJMDNU-IIBYNOLFSA-N 1 3 312.501 4.261 20 0 DIADHO CC(C)c1ccc2c(c1)[C@H](NC[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000534908388 334345496 /nfs/dbraw/zinc/34/54/96/334345496.db2.gz JIMXKEDKEJMDNU-IIBYNOLFSA-N 1 3 312.501 4.261 20 0 DIADHO CCSc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000535231486 334381250 /nfs/dbraw/zinc/38/12/50/334381250.db2.gz ZXPBTFRECVXARS-USXIJHARSA-N 1 3 306.519 4.322 20 0 DIADHO C[C@H](C[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21)CN(C)C ZINC000425955463 334820606 /nfs/dbraw/zinc/82/06/06/334820606.db2.gz ZSLQKUBKDYFKRP-HZPDHXFCSA-N 1 3 315.505 4.011 20 0 DIADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCCc3ccc(F)cc32)c1 ZINC000344126879 335219776 /nfs/dbraw/zinc/21/97/76/335219776.db2.gz PDEUXQCAYBXQPT-HXUWFJFHSA-N 1 3 312.432 4.055 20 0 DIADHO CC1(C)CC([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC(C)(C)N1 ZINC000367043147 335597008 /nfs/dbraw/zinc/59/70/08/335597008.db2.gz NSNGREQACSJCSQ-DOTOQJQBSA-N 1 3 315.505 4.007 20 0 DIADHO CC(C)CN1CCC([NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000532453846 336248079 /nfs/dbraw/zinc/24/80/79/336248079.db2.gz NYLNVUZLSKHRCC-FQEVSTJZSA-N 1 3 300.490 4.238 20 0 DIADHO CC(C)C[NH+]1CCC(N[C@@H](CC2CC2)c2ccccc2)CC1 ZINC000532453846 336248080 /nfs/dbraw/zinc/24/80/80/336248080.db2.gz NYLNVUZLSKHRCC-FQEVSTJZSA-N 1 3 300.490 4.238 20 0 DIADHO Cc1ccccc1C[NH+]1CCC(N[C@@H]2CCc3ccccc32)CC1 ZINC000532476312 336251235 /nfs/dbraw/zinc/25/12/35/336251235.db2.gz TYMXSARZJZKPQT-JOCHJYFZSA-N 1 3 320.480 4.237 20 0 DIADHO Cc1cccc([C@H](C)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000532485497 336251702 /nfs/dbraw/zinc/25/17/02/336251702.db2.gz RCGMXFZSPVFEMM-FPOVZHCZSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1cccc([C@H](C)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000532485497 336251703 /nfs/dbraw/zinc/25/17/03/336251703.db2.gz RCGMXFZSPVFEMM-FPOVZHCZSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c1 ZINC000532485497 336251704 /nfs/dbraw/zinc/25/17/04/336251704.db2.gz RCGMXFZSPVFEMM-FPOVZHCZSA-N 1 3 322.496 4.210 20 0 DIADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(-c2cccs2)cc1 ZINC000532507085 336252737 /nfs/dbraw/zinc/25/27/37/336252737.db2.gz VOCFLXXDELDTBX-HZPDHXFCSA-N 1 3 314.498 4.408 20 0 DIADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(-c2cccs2)cc1 ZINC000532507085 336252738 /nfs/dbraw/zinc/25/27/38/336252738.db2.gz VOCFLXXDELDTBX-HZPDHXFCSA-N 1 3 314.498 4.408 20 0 DIADHO CC(C)(C)[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000324829149 336261060 /nfs/dbraw/zinc/26/10/60/336261060.db2.gz HSCCWAHCRXAKOY-FQEVSTJZSA-N 1 3 323.484 4.427 20 0 DIADHO CC(C)[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cccnc1 ZINC000359280035 336665571 /nfs/dbraw/zinc/66/55/71/336665571.db2.gz VVQHSUUZICQKIY-NRFANRHFSA-N 1 3 323.484 4.164 20 0 DIADHO CCC[NH+]1CCC(CN[C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000122640061 337017364 /nfs/dbraw/zinc/01/73/64/337017364.db2.gz WDMUHMBHFWDHHT-QGZVFWFLSA-N 1 3 322.493 4.074 20 0 DIADHO CCC[NH+]1CCC(CN[C@@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000122697585 337018446 /nfs/dbraw/zinc/01/84/46/337018446.db2.gz ZIBPIMMCUUXJGR-XJKSGUPXSA-N 1 3 324.559 4.385 20 0 DIADHO CC[NH+](CC)CCCC1CCN(Cc2sc(C)nc2C)CC1 ZINC000182776168 337189781 /nfs/dbraw/zinc/18/97/81/337189781.db2.gz FXHRNWPXIDBMDL-UHFFFAOYSA-N 1 3 323.550 4.094 20 0 DIADHO CC[C@@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000183190130 337190362 /nfs/dbraw/zinc/19/03/62/337190362.db2.gz RWEBBSUFGBSQKJ-ILZDJORESA-N 1 3 300.490 4.380 20 0 DIADHO CC[C@@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000183190130 337190363 /nfs/dbraw/zinc/19/03/63/337190363.db2.gz RWEBBSUFGBSQKJ-ILZDJORESA-N 1 3 300.490 4.380 20 0 DIADHO CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccccc1 ZINC000183190130 337190364 /nfs/dbraw/zinc/19/03/64/337190364.db2.gz RWEBBSUFGBSQKJ-ILZDJORESA-N 1 3 300.490 4.380 20 0 DIADHO Cc1ccc(C)c([C@@H](NCC2=CC[N@H+](C)CC2)c2ccccc2)c1 ZINC000392283758 337200050 /nfs/dbraw/zinc/20/00/50/337200050.db2.gz TYUVTIMKIKGSKC-QFIPXVFZSA-N 1 3 320.480 4.244 20 0 DIADHO Cc1ccc(C)c([C@@H](NCC2=CC[N@@H+](C)CC2)c2ccccc2)c1 ZINC000392283758 337200051 /nfs/dbraw/zinc/20/00/51/337200051.db2.gz TYUVTIMKIKGSKC-QFIPXVFZSA-N 1 3 320.480 4.244 20 0 DIADHO CS[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)C(C)(C)C ZINC000582930480 337215799 /nfs/dbraw/zinc/21/57/99/337215799.db2.gz KNFFRWZLSUZNBC-KRWDZBQOSA-N 1 3 312.567 4.151 20 0 DIADHO CS[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)C(C)(C)C ZINC000582930480 337215800 /nfs/dbraw/zinc/21/58/00/337215800.db2.gz KNFFRWZLSUZNBC-KRWDZBQOSA-N 1 3 312.567 4.151 20 0 DIADHO C[NH+](C)C1CCC(NCc2ccc(F)c(Cl)c2Cl)CC1 ZINC000421376589 337528703 /nfs/dbraw/zinc/52/87/03/337528703.db2.gz ROULXSQLKYVXHE-UHFFFAOYSA-N 1 3 319.251 4.095 20 0 DIADHO Cc1cc(C)cc([C@H](C)[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000536826861 337604434 /nfs/dbraw/zinc/60/44/34/337604434.db2.gz MISPTNWDOIXRBQ-SFHVURJKSA-N 1 3 323.484 4.266 20 0 DIADHO Cc1ccsc1[C@@H](Cc1ccccc1)N[C@H]1CCC[NH2+]CC1 ZINC000422754097 337684994 /nfs/dbraw/zinc/68/49/94/337684994.db2.gz DQYAEMBCMPYGIS-ZWKOTPCHSA-N 1 3 314.498 4.072 20 0 DIADHO C[C@@H](NCc1ccccc1-c1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000422907861 337690725 /nfs/dbraw/zinc/69/07/25/337690725.db2.gz LPKZDTVBJUECMS-GDBMZVCRSA-N 1 3 314.860 4.095 20 0 DIADHO c1ccc(CC[C@H](N[C@@H]2CCC[NH2+]CC2)c2ccccc2)cc1 ZINC000422948208 337694180 /nfs/dbraw/zinc/69/41/80/337694180.db2.gz QXVHBZUJMKWXHJ-RTWAWAEBSA-N 1 3 308.469 4.092 20 0 DIADHO CC1(c2ccccc2)CC(N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423113512 337700040 /nfs/dbraw/zinc/70/00/40/337700040.db2.gz YIXSMDHMJSTKBI-SONFCDGGSA-N 1 3 312.501 4.007 20 0 DIADHO Clc1ccc([C@H](NCC[C@@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000423241553 337706765 /nfs/dbraw/zinc/70/67/65/337706765.db2.gz DEVYCJOEWJBKPX-HNAYVOBHSA-N 1 3 314.860 4.019 20 0 DIADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000423292094 337710074 /nfs/dbraw/zinc/71/00/74/337710074.db2.gz LICYDOJLZMVUKA-SGTLLEGYSA-N 1 3 300.833 4.137 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000423291537 337710100 /nfs/dbraw/zinc/71/01/00/337710100.db2.gz ITGKXWNFCJYJLI-JLTOFOAXSA-N 1 3 319.452 4.355 20 0 DIADHO COc1cccc2cc([C@H](C)NCc3ccc([C@H](C)[NH3+])cc3)oc21 ZINC000423292123 337710240 /nfs/dbraw/zinc/71/02/40/337710240.db2.gz LMMGURPUAQCYIH-KBPBESRZSA-N 1 3 324.424 4.312 20 0 DIADHO Cc1c2ccccc2oc1[C@@H](C)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423363766 337714697 /nfs/dbraw/zinc/71/46/97/337714697.db2.gz AIYTZMULINRSER-CQSZACIVSA-N 1 3 306.409 4.195 20 0 DIADHO c1ccc([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc3c(c2)CNC3)cc1 ZINC000423367540 337714761 /nfs/dbraw/zinc/71/47/61/337714761.db2.gz CQSNABNFOWNDTD-LEWJYISDSA-N 1 3 306.453 4.106 20 0 DIADHO Clc1ccc([C@@H](NCc2ccc3c(c2)C[NH2+]C3)C2CC2)cc1 ZINC000423370618 337714956 /nfs/dbraw/zinc/71/49/56/337714956.db2.gz FTXZMQCYPXRGIV-IBGZPJMESA-N 1 3 312.844 4.184 20 0 DIADHO CCCCOc1ccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423402902 337715743 /nfs/dbraw/zinc/71/57/43/337715743.db2.gz WTSGBSLNHLPYQC-MRXNPFEDSA-N 1 3 324.468 4.320 20 0 DIADHO CCCCc1ccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423383069 337717722 /nfs/dbraw/zinc/71/77/22/337717722.db2.gz KJFIZBVSYXJCAV-MRXNPFEDSA-N 1 3 308.469 4.483 20 0 DIADHO C[C@H](NC[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1Cl ZINC000423459262 337720520 /nfs/dbraw/zinc/72/05/20/337720520.db2.gz LFZPKZJWCKIFDQ-TUAOUCFPSA-N 1 3 301.261 4.162 20 0 DIADHO [NH3+]C[C@@H]1CC[C@H](N[C@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000423496977 337722919 /nfs/dbraw/zinc/72/29/19/337722919.db2.gz YAZYKCIGJOKYTN-YWVKMMECSA-N 1 3 319.301 4.149 20 0 DIADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1nccc2ccccc21 ZINC000423501001 337723414 /nfs/dbraw/zinc/72/34/14/337723414.db2.gz CKXPVSYLAIBIBH-UZLBHIALSA-N 1 3 319.452 4.366 20 0 DIADHO [NH3+]CCC[C@H](N[C@H]1CCSc2ccccc21)c1ccccc1 ZINC000423506174 337723592 /nfs/dbraw/zinc/72/35/92/337723592.db2.gz OUXZQVOISQXBEY-ROUUACIJSA-N 1 3 312.482 4.293 20 0 DIADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1Cl ZINC000423511975 337724025 /nfs/dbraw/zinc/72/40/25/337724025.db2.gz UFNXJFAGGRFNTP-KSSFIOAISA-N 1 3 302.849 4.471 20 0 DIADHO CCCOc1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000515803502 337998849 /nfs/dbraw/zinc/99/88/49/337998849.db2.gz KUCLVNSLCYCURV-FQEVSTJZSA-N 1 3 312.457 4.045 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)NCc1nc2ccc(F)cc2s1 ZINC000428874191 338063986 /nfs/dbraw/zinc/06/39/86/338063986.db2.gz LZOOQPOUOMWHDC-ZDUSSCGKSA-N 1 3 323.481 4.036 20 0 DIADHO Cc1ccoc1CN(C)CCCCC[N@H+](C)Cc1occc1C ZINC000429393790 338079500 /nfs/dbraw/zinc/07/95/00/338079500.db2.gz LPKSFKUQNFLDRF-UHFFFAOYSA-N 1 3 318.461 4.224 20 0 DIADHO Cc1ccoc1CN(C)CCCCC[N@@H+](C)Cc1occc1C ZINC000429393790 338079501 /nfs/dbraw/zinc/07/95/01/338079501.db2.gz LPKSFKUQNFLDRF-UHFFFAOYSA-N 1 3 318.461 4.224 20 0 DIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@H]3CCC(F)(F)C3)CC2)C1 ZINC000430750214 338113452 /nfs/dbraw/zinc/11/34/52/338113452.db2.gz MXZHSPMMBOAETE-VYDXJSESSA-N 1 3 314.464 4.055 20 0 DIADHO CC[NH+]1CCC(CCNCc2csc(Cl)c2Cl)CC1 ZINC000432251371 338151086 /nfs/dbraw/zinc/15/10/86/338151086.db2.gz SHQJKDMQQQVZGO-UHFFFAOYSA-N 1 3 321.317 4.267 20 0 DIADHO CN(C)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000432814785 338168812 /nfs/dbraw/zinc/16/88/12/338168812.db2.gz BDEKDMXBNJGGQG-KRWDZBQOSA-N 1 3 314.498 4.331 20 0 DIADHO CN(C)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000432814785 338168813 /nfs/dbraw/zinc/16/88/13/338168813.db2.gz BDEKDMXBNJGGQG-KRWDZBQOSA-N 1 3 314.498 4.331 20 0 DIADHO C[C@]1(c2ccccc2)CC[C@@H](N2CCC([NH+]3CCCC3)CC2)C1 ZINC000437585337 338314850 /nfs/dbraw/zinc/31/48/50/338314850.db2.gz VSTFJKMHXSVYEV-RTWAWAEBSA-N 1 3 312.501 4.057 20 0 DIADHO C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCC(N3CCCC3)CC2)C1 ZINC000437585337 338314851 /nfs/dbraw/zinc/31/48/51/338314851.db2.gz VSTFJKMHXSVYEV-RTWAWAEBSA-N 1 3 312.501 4.057 20 0 DIADHO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000437778911 338321040 /nfs/dbraw/zinc/32/10/40/338321040.db2.gz BGCHNJXCMDCXOK-NUJGCVRESA-N 1 3 318.480 4.172 20 0 DIADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccc(Cl)cc1F ZINC000438086484 338330687 /nfs/dbraw/zinc/33/06/87/338330687.db2.gz HTJIUTKQBQAQJS-AWEZNQCLSA-N 1 3 312.860 4.223 20 0 DIADHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccc(Cl)cc1F ZINC000438086484 338330688 /nfs/dbraw/zinc/33/06/88/338330688.db2.gz HTJIUTKQBQAQJS-AWEZNQCLSA-N 1 3 312.860 4.223 20 0 DIADHO CCCN(C)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000438109476 338332200 /nfs/dbraw/zinc/33/22/00/338332200.db2.gz OILQFDJLBUDPRC-TYPHKJRUSA-N 1 3 314.517 4.161 20 0 DIADHO CCCN(C)C[C@@H]1CC[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000438109476 338332201 /nfs/dbraw/zinc/33/22/01/338332201.db2.gz OILQFDJLBUDPRC-TYPHKJRUSA-N 1 3 314.517 4.161 20 0 DIADHO CCCN(C)C[C@@H]1CC[N@@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000438109473 338332222 /nfs/dbraw/zinc/33/22/22/338332222.db2.gz OILQFDJLBUDPRC-JBACZVJFSA-N 1 3 314.517 4.161 20 0 DIADHO CCCN(C)C[C@@H]1CC[N@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000438109473 338332223 /nfs/dbraw/zinc/33/22/23/338332223.db2.gz OILQFDJLBUDPRC-JBACZVJFSA-N 1 3 314.517 4.161 20 0 DIADHO CCN(CC)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000438112808 338332625 /nfs/dbraw/zinc/33/26/25/338332625.db2.gz IGMZTACHNBWPAG-TYPHKJRUSA-N 1 3 314.517 4.161 20 0 DIADHO CCN(CC)C[C@@H]1CC[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000438112808 338332626 /nfs/dbraw/zinc/33/26/26/338332626.db2.gz IGMZTACHNBWPAG-TYPHKJRUSA-N 1 3 314.517 4.161 20 0 DIADHO CCN(CC)C[C@@H]1CC[N@@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000438112806 338332640 /nfs/dbraw/zinc/33/26/40/338332640.db2.gz IGMZTACHNBWPAG-JBACZVJFSA-N 1 3 314.517 4.161 20 0 DIADHO CCN(CC)C[C@@H]1CC[N@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000438112806 338332641 /nfs/dbraw/zinc/33/26/41/338332641.db2.gz IGMZTACHNBWPAG-JBACZVJFSA-N 1 3 314.517 4.161 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000438198212 338336285 /nfs/dbraw/zinc/33/62/85/338336285.db2.gz GQOOFBYDMIBZDL-GIVPXCGWSA-N 1 3 314.517 4.207 20 0 DIADHO C[C@H](NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@H]1CCCCO1 ZINC000449246957 338606440 /nfs/dbraw/zinc/60/64/40/338606440.db2.gz DZXMDWAASPYUBG-FUHWJXTLSA-N 1 3 324.553 4.213 20 0 DIADHO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccncc3)CC1)CCC2 ZINC000459567209 339036278 /nfs/dbraw/zinc/03/62/78/339036278.db2.gz JSNSCPJTVZWLRP-NRFANRHFSA-N 1 3 321.468 4.026 20 0 DIADHO CCC[N@H+](C)C[C@@H]1CCN(c2c(C)cnc3c(C)cccc32)C1 ZINC000462515659 339080419 /nfs/dbraw/zinc/08/04/19/339080419.db2.gz XTLGROSJRYIHAH-KRWDZBQOSA-N 1 3 311.473 4.020 20 0 DIADHO CCC[N@@H+](C)C[C@@H]1CCN(c2c(C)cnc3c(C)cccc32)C1 ZINC000462515659 339080420 /nfs/dbraw/zinc/08/04/20/339080420.db2.gz XTLGROSJRYIHAH-KRWDZBQOSA-N 1 3 311.473 4.020 20 0 DIADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(OC(C)(C)C)cc1 ZINC000462813729 339091207 /nfs/dbraw/zinc/09/12/07/339091207.db2.gz RVPWCJAAKKOEGD-MRXNPFEDSA-N 1 3 304.478 4.000 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000463023173 339100932 /nfs/dbraw/zinc/10/09/32/339100932.db2.gz GYPZXIVDTQGACQ-DLBZAZTESA-N 1 3 318.505 4.246 20 0 DIADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000463023175 339101014 /nfs/dbraw/zinc/10/10/14/339101014.db2.gz GYPZXIVDTQGACQ-IRXDYDNUSA-N 1 3 318.505 4.246 20 0 DIADHO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000463561298 339121351 /nfs/dbraw/zinc/12/13/51/339121351.db2.gz ZNQHGGFBGNRBKT-QGTPRVQTSA-N 1 3 300.490 4.077 20 0 DIADHO C[C@H]1[C@H](c2ccccc2)C[C@@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000463561298 339121352 /nfs/dbraw/zinc/12/13/52/339121352.db2.gz ZNQHGGFBGNRBKT-QGTPRVQTSA-N 1 3 300.490 4.077 20 0 DIADHO CCN(CC)C[C@@H]1CC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000464778406 339153184 /nfs/dbraw/zinc/15/31/84/339153184.db2.gz OBAJVKBRPPBHQM-IBGZPJMESA-N 1 3 310.485 4.046 20 0 DIADHO CCN(CC)C[C@@H]1CC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000464778406 339153185 /nfs/dbraw/zinc/15/31/85/339153185.db2.gz OBAJVKBRPPBHQM-IBGZPJMESA-N 1 3 310.485 4.046 20 0 DIADHO CCN(C)C[C@H]1CC[N@H+](CCCc2cccc3ccccc32)C1 ZINC000464792534 339154040 /nfs/dbraw/zinc/15/40/40/339154040.db2.gz PVJIJAPGVXLPIA-GOSISDBHSA-N 1 3 310.485 4.046 20 0 DIADHO CCN(C)C[C@H]1CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000464792534 339154041 /nfs/dbraw/zinc/15/40/41/339154041.db2.gz PVJIJAPGVXLPIA-GOSISDBHSA-N 1 3 310.485 4.046 20 0 DIADHO CC[N@H+](C)C[C@H]1CCN(CCCc2cccc3ccccc32)C1 ZINC000464792534 339154042 /nfs/dbraw/zinc/15/40/42/339154042.db2.gz PVJIJAPGVXLPIA-GOSISDBHSA-N 1 3 310.485 4.046 20 0 DIADHO CC[N@@H+](C)C[C@H]1CCN(CCCc2cccc3ccccc32)C1 ZINC000464792534 339154043 /nfs/dbraw/zinc/15/40/43/339154043.db2.gz PVJIJAPGVXLPIA-GOSISDBHSA-N 1 3 310.485 4.046 20 0 DIADHO CCN(C)C[C@@H]1CC[N@H+](CCCc2cccc3ccccc32)C1 ZINC000464792537 339154144 /nfs/dbraw/zinc/15/41/44/339154144.db2.gz PVJIJAPGVXLPIA-SFHVURJKSA-N 1 3 310.485 4.046 20 0 DIADHO CCN(C)C[C@@H]1CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000464792537 339154145 /nfs/dbraw/zinc/15/41/45/339154145.db2.gz PVJIJAPGVXLPIA-SFHVURJKSA-N 1 3 310.485 4.046 20 0 DIADHO CC[N@H+](C)C[C@@H]1CCN(CCCc2cccc3ccccc32)C1 ZINC000464792537 339154146 /nfs/dbraw/zinc/15/41/46/339154146.db2.gz PVJIJAPGVXLPIA-SFHVURJKSA-N 1 3 310.485 4.046 20 0 DIADHO CC[N@@H+](C)C[C@@H]1CCN(CCCc2cccc3ccccc32)C1 ZINC000464792537 339154147 /nfs/dbraw/zinc/15/41/47/339154147.db2.gz PVJIJAPGVXLPIA-SFHVURJKSA-N 1 3 310.485 4.046 20 0 DIADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000467833507 339247169 /nfs/dbraw/zinc/24/71/69/339247169.db2.gz JNSPSRTZVBVGEA-HNNXBMFYSA-N 1 3 310.432 4.128 20 0 DIADHO COc1ccsc1[C@H](C)NCC1CC[NH+](CCC(C)C)CC1 ZINC000471607378 339349292 /nfs/dbraw/zinc/34/92/92/339349292.db2.gz YZPWIYKNGRHGGT-HNNXBMFYSA-N 1 3 324.534 4.165 20 0 DIADHO COc1ccsc1[C@H](C)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000472157894 339364695 /nfs/dbraw/zinc/36/46/95/339364695.db2.gz NHVVGNDJBTUYFD-CABCVRRESA-N 1 3 310.507 4.062 20 0 DIADHO COc1ccsc1[C@H](C)NCCCC[N@H+]1CCCC[C@H]1C ZINC000472157894 339364696 /nfs/dbraw/zinc/36/46/96/339364696.db2.gz NHVVGNDJBTUYFD-CABCVRRESA-N 1 3 310.507 4.062 20 0 DIADHO Cc1cc2cc(C[N@H+]3CCCC34CCN(C)CC4)oc2cc1C ZINC000472595455 339374822 /nfs/dbraw/zinc/37/48/22/339374822.db2.gz FCIOVPDKMIOGGV-UHFFFAOYSA-N 1 3 312.457 4.110 20 0 DIADHO Cc1cc2cc(C[N@@H+]3CCCC34CCN(C)CC4)oc2cc1C ZINC000472595455 339374823 /nfs/dbraw/zinc/37/48/23/339374823.db2.gz FCIOVPDKMIOGGV-UHFFFAOYSA-N 1 3 312.457 4.110 20 0 DIADHO Cc1cc2cc(CN3CCCC34CC[NH+](C)CC4)oc2cc1C ZINC000472595455 339374824 /nfs/dbraw/zinc/37/48/24/339374824.db2.gz FCIOVPDKMIOGGV-UHFFFAOYSA-N 1 3 312.457 4.110 20 0 DIADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)C1CCC(F)(F)CC1 ZINC000474061192 339400133 /nfs/dbraw/zinc/40/01/33/339400133.db2.gz WBMOIOFBFGDSGF-AWEZNQCLSA-N 1 3 314.464 4.197 20 0 DIADHO c1csc(CN(CCC2CC[NH2+]CC2)Cc2cccs2)c1 ZINC000479689163 339545990 /nfs/dbraw/zinc/54/59/90/339545990.db2.gz PTJCDSIEWNCYRR-UHFFFAOYSA-N 1 3 320.527 4.202 20 0 DIADHO C[C@H](CCCC(F)(F)F)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000480243579 339564867 /nfs/dbraw/zinc/56/48/67/339564867.db2.gz FJMNPDTUFXAPHO-RBSFLKMASA-N 1 3 308.432 4.065 20 0 DIADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)CCCC2 ZINC000480263059 339566003 /nfs/dbraw/zinc/56/60/03/339566003.db2.gz TUCHDENCNZGUFO-KRWDZBQOSA-N 1 3 322.496 4.478 20 0 DIADHO CC1CC[NH+](CCCCNCc2ccsc2Cl)CC1 ZINC000480635906 339580769 /nfs/dbraw/zinc/58/07/69/339580769.db2.gz MDVZZDLQRHISHS-UHFFFAOYSA-N 1 3 300.899 4.003 20 0 DIADHO CCC[NH+]1CCC(CN[C@H](CC)c2ccc(F)cc2F)CC1 ZINC000482499552 339633499 /nfs/dbraw/zinc/63/34/99/339633499.db2.gz FPXZGRXSIADLAZ-GOSISDBHSA-N 1 3 310.432 4.128 20 0 DIADHO CCC[NH+]1CCC(CN[C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000482499553 339633507 /nfs/dbraw/zinc/63/35/07/339633507.db2.gz FPXZGRXSIADLAZ-SFHVURJKSA-N 1 3 310.432 4.128 20 0 DIADHO CN1CCC[C@@H]1CC[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500165811 340051793 /nfs/dbraw/zinc/05/17/93/340051793.db2.gz HGCUISSTCGWKJU-QGZVFWFLSA-N 1 3 324.871 4.085 20 0 DIADHO Fc1cc(CNCCCCC[NH+]2CCCCC2)ccc1Cl ZINC000500916704 340069954 /nfs/dbraw/zinc/06/99/54/340069954.db2.gz JYYJQTWCRPTAPF-UHFFFAOYSA-N 1 3 312.860 4.225 20 0 DIADHO Cc1ccc(-c2ccc(CNCC3(C)CC[NH+](C)CC3)o2)cc1 ZINC000503922803 340136934 /nfs/dbraw/zinc/13/69/34/340136934.db2.gz YXJUHUAVWTWPPV-UHFFFAOYSA-N 1 3 312.457 4.077 20 0 DIADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000504929012 340156610 /nfs/dbraw/zinc/15/66/10/340156610.db2.gz FUUVDRSQMJXNTI-AOIWGVFYSA-N 1 3 300.490 4.253 20 0 DIADHO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000504929017 340156667 /nfs/dbraw/zinc/15/66/67/340156667.db2.gz FUUVDRSQMJXNTI-ZIFCJYIRSA-N 1 3 300.490 4.253 20 0 DIADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1ccc(-c2ccccc2)o1 ZINC000507437895 340219460 /nfs/dbraw/zinc/21/94/60/340219460.db2.gz ADPCYCBJZXPWTM-MRXNPFEDSA-N 1 3 312.457 4.329 20 0 DIADHO c1ccc(C[NH+]2CCC(Nc3ccnc4ccccc43)CC2)cc1 ZINC000301193113 340248123 /nfs/dbraw/zinc/24/81/23/340248123.db2.gz WFDAWWVVTMPHRE-UHFFFAOYSA-N 1 3 317.436 4.311 20 0 DIADHO COCC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1)C(C)(C)C ZINC000510979671 340316938 /nfs/dbraw/zinc/31/69/38/340316938.db2.gz PGKJKLOMFYTNNW-QRQLOZEOSA-N 1 3 324.553 4.070 20 0 DIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000511454563 340327569 /nfs/dbraw/zinc/32/75/69/340327569.db2.gz OEOAIHXDUFFIPP-GYTBAZASSA-N 1 3 306.881 4.048 20 0 DIADHO C[NH+](C)[C@@H]1CCC[C@@H](NC2CC(c3ccccc3Cl)C2)C1 ZINC000511454563 340327570 /nfs/dbraw/zinc/32/75/70/340327570.db2.gz OEOAIHXDUFFIPP-GYTBAZASSA-N 1 3 306.881 4.048 20 0 DIADHO CCC[NH+]1CCC(N(C)CCc2ccc3ccccc3c2)CC1 ZINC000511612846 340332362 /nfs/dbraw/zinc/33/23/62/340332362.db2.gz BBWBUYBIRUVKFE-UHFFFAOYSA-N 1 3 310.485 4.189 20 0 DIADHO CC[NH+](CC)Cc1cccc(CNCc2ccc(C)c(C)c2)c1 ZINC000513109767 340393637 /nfs/dbraw/zinc/39/36/37/340393637.db2.gz FNBGQOGEASFKMT-UHFFFAOYSA-N 1 3 310.485 4.435 20 0 DIADHO C1C[C@@H]2C[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)CC[C@@H]2C1 ZINC000513207772 340397221 /nfs/dbraw/zinc/39/72/21/340397221.db2.gz FVKXVODREWXJTQ-YQVWRLOYSA-N 1 3 304.522 4.342 20 0 DIADHO Cc1cccc([C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C(C)C)c1 ZINC000529668130 340767365 /nfs/dbraw/zinc/76/73/65/340767365.db2.gz CYXJQEAGIVIZAS-NRFANRHFSA-N 1 3 323.484 4.346 20 0 DIADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CCC(F)(F)F ZINC000541546015 340973564 /nfs/dbraw/zinc/97/35/64/340973564.db2.gz NBPPLQLVEWALCH-SOUVJXGZSA-N 1 3 308.432 4.208 20 0 DIADHO Cc1cccc(C)c1C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000542534200 341012623 /nfs/dbraw/zinc/01/26/23/341012623.db2.gz YOMUSFQZDJDBTA-ROUUACIJSA-N 1 3 300.490 4.046 20 0 DIADHO CC(C)[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(Cl)cc1F ZINC000542843894 341023120 /nfs/dbraw/zinc/02/31/20/341023120.db2.gz KCWVCHXDBCELLS-ACJLOTCBSA-N 1 3 324.871 4.250 20 0 DIADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000130617763 341033004 /nfs/dbraw/zinc/03/30/04/341033004.db2.gz UJSDBRWJFPGXOD-GFCCVEGCSA-N 1 3 315.288 4.376 20 0 DIADHO CCOc1ccc([C@@H](C)[NH2+]CC[C@H](C)N2CCCCC2)cc1 ZINC000543416362 341043326 /nfs/dbraw/zinc/04/33/26/341043326.db2.gz JBOMSECOYGZNMC-DLBZAZTESA-N 1 3 304.478 4.000 20 0 DIADHO Cc1cc(C)c([C@@H](C)[NH+]2CCC3(CCCN3C)CC2)c(C)c1 ZINC000544126478 341071227 /nfs/dbraw/zinc/07/12/27/341071227.db2.gz GHLANHYYHBZMBR-GOSISDBHSA-N 1 3 300.490 4.233 20 0 DIADHO c1ccc([C@H]2CC[C@H]([NH2+]C3CCN(C4CCCC4)CC3)C2)cc1 ZINC000133293360 341170540 /nfs/dbraw/zinc/17/05/40/341170540.db2.gz ZNERQYUEQSVRLV-ICSRJNTNSA-N 1 3 312.501 4.319 20 0 DIADHO c1ccc([C@@H]2CC[C@H]([NH2+]C3CCN(C4CCCC4)CC3)C2)cc1 ZINC000133293157 341170557 /nfs/dbraw/zinc/17/05/57/341170557.db2.gz ZNERQYUEQSVRLV-QUCCMNQESA-N 1 3 312.501 4.319 20 0 DIADHO CC1(c2ccccc2)CC([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000547393483 341210783 /nfs/dbraw/zinc/21/07/83/341210783.db2.gz GJTFVVBQVZYMKR-UHFFFAOYSA-N 1 3 312.501 4.103 20 0 DIADHO CC1(c2ccccc2)CC(NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000547393483 341210784 /nfs/dbraw/zinc/21/07/84/341210784.db2.gz GJTFVVBQVZYMKR-UHFFFAOYSA-N 1 3 312.501 4.103 20 0 DIADHO c1csc([C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CCCC2)c1 ZINC000135276376 341235264 /nfs/dbraw/zinc/23/52/64/341235264.db2.gz WTYITBALPAWYGJ-JFIYKMOQSA-N 1 3 304.503 4.196 20 0 DIADHO c1csc([C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCCC2)c1 ZINC000135276376 341235265 /nfs/dbraw/zinc/23/52/65/341235265.db2.gz WTYITBALPAWYGJ-JFIYKMOQSA-N 1 3 304.503 4.196 20 0 DIADHO CCCCOc1ccc([C@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000551541663 341344776 /nfs/dbraw/zinc/34/47/76/341344776.db2.gz ULOVGIIVBGAXAY-INIZCTEOSA-N 1 3 316.489 4.143 20 0 DIADHO C[C@@H]1C[C@@H]1[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000246500147 341350888 /nfs/dbraw/zinc/35/08/88/341350888.db2.gz SNCNOLURGMAZDJ-PXZKYJSBSA-N 1 3 306.881 4.109 20 0 DIADHO C[C@@H]1C[C@@H]1[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000246500147 341350889 /nfs/dbraw/zinc/35/08/89/341350889.db2.gz SNCNOLURGMAZDJ-PXZKYJSBSA-N 1 3 306.881 4.109 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)C1 ZINC000551833022 341353286 /nfs/dbraw/zinc/35/32/86/341353286.db2.gz FXRVMJWAEKMSBZ-HLAWJBBLSA-N 1 3 314.517 4.423 20 0 DIADHO CSc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1F ZINC000246975147 341359368 /nfs/dbraw/zinc/35/93/68/341359368.db2.gz JRZIHEWPSXLLLB-HUUCEWRRSA-N 1 3 324.509 4.319 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2c3ccccc3C[C@H]2C)c1 ZINC000247000957 341359761 /nfs/dbraw/zinc/35/97/61/341359761.db2.gz LPLUBLXATRLMDA-IERDGZPVSA-N 1 3 308.469 4.161 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2c3ccccc3C[C@H]2C)c1 ZINC000247000957 341359762 /nfs/dbraw/zinc/35/97/62/341359762.db2.gz LPLUBLXATRLMDA-IERDGZPVSA-N 1 3 308.469 4.161 20 0 DIADHO CCCN1CC[C@@H](C[NH2+][C@H](CC)c2ccc(Cl)s2)C1 ZINC000247202531 341362249 /nfs/dbraw/zinc/36/22/49/341362249.db2.gz WMDGNJDRYXUOJU-QWHCGFSZSA-N 1 3 300.899 4.174 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(SC(C)C)cc2)C1 ZINC000247201678 341362277 /nfs/dbraw/zinc/36/22/77/341362277.db2.gz WHQIUPXPXOGERQ-HZPDHXFCSA-N 1 3 306.519 4.180 20 0 DIADHO C[C@H]1CCc2c(F)cccc2[C@@H]1NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000247222226 341362329 /nfs/dbraw/zinc/36/23/29/341362329.db2.gz WJVSLZVWGIKLLS-NWEBGPFOSA-N 1 3 316.464 4.054 20 0 DIADHO C[C@H]1CCc2c(F)cccc2[C@@H]1NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000247222226 341362330 /nfs/dbraw/zinc/36/23/30/341362330.db2.gz WJVSLZVWGIKLLS-NWEBGPFOSA-N 1 3 316.464 4.054 20 0 DIADHO C[C@H](c1ccccn1)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000248221833 341374867 /nfs/dbraw/zinc/37/48/67/341374867.db2.gz OKHHZLUHBDUKAZ-ZWKOTPCHSA-N 1 3 315.505 4.119 20 0 DIADHO C[C@H](c1ccccn1)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000248221833 341374868 /nfs/dbraw/zinc/37/48/68/341374868.db2.gz OKHHZLUHBDUKAZ-ZWKOTPCHSA-N 1 3 315.505 4.119 20 0 DIADHO C[C@H](c1ccccn1)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000248221832 341374933 /nfs/dbraw/zinc/37/49/33/341374933.db2.gz OKHHZLUHBDUKAZ-QZTJIDSGSA-N 1 3 315.505 4.119 20 0 DIADHO C[C@H](c1ccccn1)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000248221832 341374934 /nfs/dbraw/zinc/37/49/34/341374934.db2.gz OKHHZLUHBDUKAZ-QZTJIDSGSA-N 1 3 315.505 4.119 20 0 DIADHO CC(C)Cc1cccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000552224339 341379441 /nfs/dbraw/zinc/37/94/41/341379441.db2.gz UGLJKCMMPNZHFQ-AEFFLSMTSA-N 1 3 300.490 4.020 20 0 DIADHO CC(C)Cc1cccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000552224339 341379442 /nfs/dbraw/zinc/37/94/42/341379442.db2.gz UGLJKCMMPNZHFQ-AEFFLSMTSA-N 1 3 300.490 4.020 20 0 DIADHO C[C@H](CC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)c1ccccc1 ZINC000248749442 341385891 /nfs/dbraw/zinc/38/58/91/341385891.db2.gz BQOSSJTWHHPZRY-GGPKGHCWSA-N 1 3 314.517 4.423 20 0 DIADHO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000566092561 341547362 /nfs/dbraw/zinc/54/73/62/341547362.db2.gz VZFZHYYTJQCXBZ-IGQOVBAYSA-N 1 3 314.395 4.057 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc2cc[nH]c2c1 ZINC000325988123 341715326 /nfs/dbraw/zinc/71/53/26/341715326.db2.gz CFFAQFWAPJSYTH-UHFFFAOYSA-N 1 3 321.468 4.300 20 0 DIADHO COc1ccc([C@@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)c2ccccc12 ZINC000643547048 1035594021 /nfs/dbraw/zinc/59/40/21/1035594021.db2.gz YXHYRXZLSVXRTC-CVEARBPZSA-N 1 3 324.468 4.174 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1(c2ccccc2)CCCC1 ZINC000643548642 1035607761 /nfs/dbraw/zinc/60/77/61/1035607761.db2.gz SOPZSACARBJPIY-PKOBYXMFSA-N 1 3 312.501 4.151 20 0 DIADHO COC1CCN(C2CC[NH+](CC[C@H](C)CC(C)(C)C)CC2)CC1 ZINC001208663002 1035784125 /nfs/dbraw/zinc/78/41/25/1035784125.db2.gz GPJBKTCPKXLXSA-KRWDZBQOSA-N 1 3 324.553 4.024 20 0 DIADHO Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000183192953 1035891734 /nfs/dbraw/zinc/89/17/34/1035891734.db2.gz SSZSCNQWGPROOU-HRCADAONSA-N 1 3 306.519 4.360 20 0 DIADHO Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000183192953 1035891753 /nfs/dbraw/zinc/89/17/53/1035891753.db2.gz SSZSCNQWGPROOU-HRCADAONSA-N 1 3 306.519 4.360 20 0 DIADHO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)s1 ZINC000183192953 1035891767 /nfs/dbraw/zinc/89/17/67/1035891767.db2.gz SSZSCNQWGPROOU-HRCADAONSA-N 1 3 306.519 4.360 20 0 DIADHO Cc1ccccc1[C@H](C)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183183618 1035894019 /nfs/dbraw/zinc/89/40/19/1035894019.db2.gz GRFNZKPMNHBKLH-FGTMMUONSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccccc1[C@H](C)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183183618 1035894042 /nfs/dbraw/zinc/89/40/42/1035894042.db2.gz GRFNZKPMNHBKLH-FGTMMUONSA-N 1 3 300.490 4.299 20 0 DIADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(F)c1F ZINC000538453659 1036376594 /nfs/dbraw/zinc/37/65/94/1036376594.db2.gz BBWCRXIFBNLOLJ-LSDHHAIUSA-N 1 3 310.432 4.128 20 0 DIADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cccc(F)c1F ZINC000538453659 1036376614 /nfs/dbraw/zinc/37/66/14/1036376614.db2.gz BBWCRXIFBNLOLJ-LSDHHAIUSA-N 1 3 310.432 4.128 20 0 DIADHO C[C@@H]1CC[N@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)CCN1 ZINC001210495710 1036741283 /nfs/dbraw/zinc/74/12/83/1036741283.db2.gz ARZONRXCNAJYFG-MRXNPFEDSA-N 1 3 319.452 4.019 20 0 DIADHO C[C@@H]1CC[N@@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)CCN1 ZINC001210495710 1036741303 /nfs/dbraw/zinc/74/13/03/1036741303.db2.gz ARZONRXCNAJYFG-MRXNPFEDSA-N 1 3 319.452 4.019 20 0 DIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc3[nH]ccc3c2)c1 ZINC000580095295 1036945507 /nfs/dbraw/zinc/94/55/07/1036945507.db2.gz OYDUPWGMAWRRCV-UHFFFAOYSA-N 1 3 321.468 4.298 20 0 DIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc3[nH]ccc3c2)c1 ZINC000580095295 1036945518 /nfs/dbraw/zinc/94/55/18/1036945518.db2.gz OYDUPWGMAWRRCV-UHFFFAOYSA-N 1 3 321.468 4.298 20 0 DIADHO Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000398045950 1037141135 /nfs/dbraw/zinc/14/11/35/1037141135.db2.gz VRWZEGPTPNQCPF-UGKGYDQZSA-N 1 3 322.496 4.304 20 0 DIADHO Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000398045950 1037141141 /nfs/dbraw/zinc/14/11/41/1037141141.db2.gz VRWZEGPTPNQCPF-UGKGYDQZSA-N 1 3 322.496 4.304 20 0 DIADHO Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000398045948 1037141978 /nfs/dbraw/zinc/14/19/78/1037141978.db2.gz VRWZEGPTPNQCPF-KNQAVFIVSA-N 1 3 322.496 4.304 20 0 DIADHO Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000398045948 1037141990 /nfs/dbraw/zinc/14/19/90/1037141990.db2.gz VRWZEGPTPNQCPF-KNQAVFIVSA-N 1 3 322.496 4.304 20 0 DIADHO C[C@H]([NH2+]CC1(N)CCCCC1)c1cccc(-c2ccncc2)c1 ZINC000581800452 1038000423 /nfs/dbraw/zinc/00/04/23/1038000423.db2.gz LVUMCNMDSCGONR-INIZCTEOSA-N 1 3 309.457 4.061 20 0 DIADHO CC[NH+](CC)Cc1cccc(CNc2ccnc3ccccc32)c1 ZINC000599520783 1038303330 /nfs/dbraw/zinc/30/33/30/1038303330.db2.gz MHIRFSNRZFAXDU-UHFFFAOYSA-N 1 3 319.452 4.111 20 0 DIADHO Cc1ccccc1-c1cccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000608061143 1038760572 /nfs/dbraw/zinc/76/05/72/1038760572.db2.gz ABCQFCGHOYBLCI-YLJYHZDGSA-N 1 3 308.469 4.234 20 0 DIADHO Cc1ccccc1-c1cccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000608061143 1038760577 /nfs/dbraw/zinc/76/05/77/1038760577.db2.gz ABCQFCGHOYBLCI-YLJYHZDGSA-N 1 3 308.469 4.234 20 0 DIADHO C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CCC(F)CC1 ZINC000657744173 1039228908 /nfs/dbraw/zinc/22/89/08/1039228908.db2.gz MTGWOWPKPWNUTI-GTPINHCMSA-N 1 3 310.501 4.290 20 0 DIADHO Cc1ccsc1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080338962 1039321579 /nfs/dbraw/zinc/32/15/79/1039321579.db2.gz AVRPZFCLBXNNJN-AEFFLSMTSA-N 1 3 314.498 4.199 20 0 DIADHO Cc1ccsc1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080338962 1039321596 /nfs/dbraw/zinc/32/15/96/1039321596.db2.gz AVRPZFCLBXNNJN-AEFFLSMTSA-N 1 3 314.498 4.199 20 0 DIADHO CCCC[C@H](NCc1ccc(C[NH3+])cc1F)c1ccccc1 ZINC000650752990 1039451829 /nfs/dbraw/zinc/45/18/29/1039451829.db2.gz DLRBILKVWNYFNN-IBGZPJMESA-N 1 3 300.421 4.306 20 0 DIADHO [NH3+]Cc1ccc(CN[C@H](c2cccs2)C2CCCC2)c(F)c1 ZINC000650753683 1039454497 /nfs/dbraw/zinc/45/44/97/1039454497.db2.gz SSHYMONJLXBGII-SFHVURJKSA-N 1 3 318.461 4.367 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@H](CCC(C)C)c1ccoc1 ZINC000650756550 1039462366 /nfs/dbraw/zinc/46/23/66/1039462366.db2.gz DKTBARXEKRHPMP-LJQANCHMSA-N 1 3 300.446 4.266 20 0 DIADHO CCSc1ccc([C@H](C)NCc2ccccc2C[NH2+]C)cc1 ZINC000650757554 1039467262 /nfs/dbraw/zinc/46/72/62/1039467262.db2.gz ZPZWVKBWQXWLFB-HNNXBMFYSA-N 1 3 314.498 4.369 20 0 DIADHO Cc1cc([C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C2CC2)ccc1F ZINC000540321863 1039476699 /nfs/dbraw/zinc/47/66/99/1039476699.db2.gz ZRVSITNOSIDLOJ-ZHALLVOQSA-N 1 3 304.453 4.048 20 0 DIADHO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000708501025 1039677645 /nfs/dbraw/zinc/67/76/45/1039677645.db2.gz ARXWGDFCCLBLNJ-CMKODMSKSA-N 1 3 302.506 4.026 20 0 DIADHO CC(C)C[C@H](C)C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000708501033 1039678028 /nfs/dbraw/zinc/67/80/28/1039678028.db2.gz ARXWGDFCCLBLNJ-NSHGMRRFSA-N 1 3 302.506 4.026 20 0 DIADHO C[C@H](CN[C@H](C)c1cc2ccncc2s1)C[NH+]1CCCCC1 ZINC000657842188 1039687701 /nfs/dbraw/zinc/68/77/01/1039687701.db2.gz IILWEWAZITUTDM-HUUCEWRRSA-N 1 3 317.502 4.069 20 0 DIADHO C[C@H](C[NH2+][C@H](C)c1cc2ccncc2s1)CN1CCCCC1 ZINC000657842188 1039687714 /nfs/dbraw/zinc/68/77/14/1039687714.db2.gz IILWEWAZITUTDM-HUUCEWRRSA-N 1 3 317.502 4.069 20 0 DIADHO CCc1ccc(CC[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)cc1 ZINC000541601813 1039717409 /nfs/dbraw/zinc/71/74/09/1039717409.db2.gz QJGCKEKIXSSDAV-XLIONFOSSA-N 1 3 314.517 4.034 20 0 DIADHO Cc1ccc(-c2ccc(C[N@H+]3CC[C@H](CN(C)C)C3)s2)cc1 ZINC000541909487 1039756278 /nfs/dbraw/zinc/75/62/78/1039756278.db2.gz SAGBYCSUNALMMQ-MRXNPFEDSA-N 1 3 314.498 4.107 20 0 DIADHO Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H](CN(C)C)C3)s2)cc1 ZINC000541909487 1039756294 /nfs/dbraw/zinc/75/62/94/1039756294.db2.gz SAGBYCSUNALMMQ-MRXNPFEDSA-N 1 3 314.498 4.107 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H](c2cccnc2)C(C)C)c1 ZINC000091333119 1039841340 /nfs/dbraw/zinc/84/13/40/1039841340.db2.gz RCRCDINLAVODGN-FQEVSTJZSA-N 1 3 311.473 4.020 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](c2cccnc2)C(C)C)c1 ZINC000091333119 1039841364 /nfs/dbraw/zinc/84/13/64/1039841364.db2.gz RCRCDINLAVODGN-FQEVSTJZSA-N 1 3 311.473 4.020 20 0 DIADHO C/C(=C/c1ccccc1)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066691 1039867949 /nfs/dbraw/zinc/86/79/49/1039867949.db2.gz ORGHDKXWYYXBHH-QGPLMHEWSA-N 1 3 310.485 4.039 20 0 DIADHO C/C(=C/c1ccccc1)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066691 1039867963 /nfs/dbraw/zinc/86/79/63/1039867963.db2.gz ORGHDKXWYYXBHH-QGPLMHEWSA-N 1 3 310.485 4.039 20 0 DIADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000171126472 1039940078 /nfs/dbraw/zinc/94/00/78/1039940078.db2.gz YLAIIWFEBIZRAA-CQSZACIVSA-N 1 3 302.849 4.252 20 0 DIADHO C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C(C)(C)C(F)F ZINC000657896668 1040091883 /nfs/dbraw/zinc/09/18/83/1040091883.db2.gz APXANCJKOZXPTP-CYBMUJFWSA-N 1 3 302.453 4.053 20 0 DIADHO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000309761977 1040095221 /nfs/dbraw/zinc/09/52/21/1040095221.db2.gz DYOBGEWIQHETCO-FUHWJXTLSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1ccc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309761977 1040095238 /nfs/dbraw/zinc/09/52/38/1040095238.db2.gz DYOBGEWIQHETCO-FUHWJXTLSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1ccc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309761977 1040095257 /nfs/dbraw/zinc/09/52/57/1040095257.db2.gz DYOBGEWIQHETCO-FUHWJXTLSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000310069755 1040106146 /nfs/dbraw/zinc/10/61/46/1040106146.db2.gz CVVJJWZINBUHLO-SIKLNZKXSA-N 1 3 320.480 4.094 20 0 DIADHO Cc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000310069755 1040106154 /nfs/dbraw/zinc/10/61/54/1040106154.db2.gz CVVJJWZINBUHLO-SIKLNZKXSA-N 1 3 320.480 4.094 20 0 DIADHO C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000924533135 1040519029 /nfs/dbraw/zinc/51/90/29/1040519029.db2.gz VUYPKOCBJOQYQF-KGLIPLIRSA-N 1 3 318.411 4.438 20 0 DIADHO C[C@H](c1ccccc1F)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613421729 1040940541 /nfs/dbraw/zinc/94/05/41/1040940541.db2.gz FUXZDYCRUUCQRF-QGZVFWFLSA-N 1 3 318.480 4.475 20 0 DIADHO C[C@H]1C[C@@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CS1 ZINC000414226643 1041026582 /nfs/dbraw/zinc/02/65/82/1041026582.db2.gz KDRVLRADTPMHID-GOEBONIOSA-N 1 3 312.567 4.149 20 0 DIADHO C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121990 1041358183 /nfs/dbraw/zinc/35/81/83/1041358183.db2.gz HHRWXAAMCMBQCO-ZIAGYGMSSA-N 1 3 314.926 4.044 20 0 DIADHO C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121989 1041359348 /nfs/dbraw/zinc/35/93/48/1041359348.db2.gz HHRWXAAMCMBQCO-UONOGXRCSA-N 1 3 314.926 4.044 20 0 DIADHO Cc1cc(CN2CCC(C3CC[NH+](C)CC3)CC2)ccc1Cl ZINC001141238413 1041719312 /nfs/dbraw/zinc/71/93/12/1041719312.db2.gz VAHIJEKAKILWER-UHFFFAOYSA-N 1 3 320.908 4.202 20 0 DIADHO COc1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc12 ZINC000364439479 1041790532 /nfs/dbraw/zinc/79/05/32/1041790532.db2.gz DZXFPKHNBNFTPQ-YESZJQIVSA-N 1 3 324.468 4.126 20 0 DIADHO COc1ccc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc12 ZINC000364439479 1041790539 /nfs/dbraw/zinc/79/05/39/1041790539.db2.gz DZXFPKHNBNFTPQ-YESZJQIVSA-N 1 3 324.468 4.126 20 0 DIADHO CC1(C)[C@@H]2C[C@@H]([NH+]3CCC4(CN(Cc5ccccc5)C4)CC3)C[C@@H]21 ZINC001170762930 1041861477 /nfs/dbraw/zinc/86/14/77/1041861477.db2.gz ZZUFVEKTYQITKO-OWZKRDHZSA-N 1 3 324.512 4.019 20 0 DIADHO CCc1c2ccccc2oc1[C@@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817947677 1042130037 /nfs/dbraw/zinc/13/00/37/1042130037.db2.gz FMQSECRJTXLKFO-OAHLLOKOSA-N 1 3 322.452 4.347 20 0 DIADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1cccc(C(F)(F)F)c1 ZINC000817946871 1042130295 /nfs/dbraw/zinc/13/02/95/1042130295.db2.gz GSSLWRFEVWFDRG-CYBMUJFWSA-N 1 3 322.374 4.057 20 0 DIADHO Cc1ccc([C@@H](NCc2ccc(CC[NH3+])cc2)C2CCCC2)o1 ZINC000817950526 1042130758 /nfs/dbraw/zinc/13/07/58/1042130758.db2.gz ZJHOYTXBSAONGU-FQEVSTJZSA-N 1 3 312.457 4.110 20 0 DIADHO Cc1ccccc1[C@@H](NC[C@H]1C[NH2+]CCC1(F)F)C1CCCC1 ZINC000925775910 1042176986 /nfs/dbraw/zinc/17/69/86/1042176986.db2.gz HZOLJWFZBHXLLK-AEFFLSMTSA-N 1 3 322.443 4.061 20 0 DIADHO Cc1nc([C@H](C)NCCCCCCC[NH+]2CCCC2)cs1 ZINC000772855429 1042265674 /nfs/dbraw/zinc/26/56/74/1042265674.db2.gz IPNPIXGJRSCORZ-HNNXBMFYSA-N 1 3 309.523 4.148 20 0 DIADHO c1ccc(C[C@H](NCCC[NH+]2CCCC2)c2ccccc2)cc1 ZINC000319861986 1042291499 /nfs/dbraw/zinc/29/14/99/1042291499.db2.gz RSHAFOWPETXKHV-NRFANRHFSA-N 1 3 308.469 4.046 20 0 DIADHO c1ccc(C[C@H]([NH2+]CCCN2CCCC2)c2ccccc2)cc1 ZINC000319861986 1042291500 /nfs/dbraw/zinc/29/15/00/1042291500.db2.gz RSHAFOWPETXKHV-NRFANRHFSA-N 1 3 308.469 4.046 20 0 DIADHO Cc1ccncc1CNCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000279778492 1042343344 /nfs/dbraw/zinc/34/33/44/1042343344.db2.gz BXZBBFMKEWUJMI-UHFFFAOYSA-N 1 3 323.484 4.056 20 0 DIADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)C1 ZINC000391478029 1042373993 /nfs/dbraw/zinc/37/39/93/1042373993.db2.gz XKHNXXJHLYUFCI-QIJZPMMNSA-N 1 3 314.517 4.279 20 0 DIADHO Cc1cccc2c1OCC[C@@H]2N[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924885629 1042471846 /nfs/dbraw/zinc/47/18/46/1042471846.db2.gz IKQCVKVHDOKADH-JXFKEZNVSA-N 1 3 324.468 4.231 20 0 DIADHO CN1CCCC[C@H]1CC[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000576400990 1042486574 /nfs/dbraw/zinc/48/65/74/1042486574.db2.gz PFEIVULXZVJCPV-INIZCTEOSA-N 1 3 322.443 4.019 20 0 DIADHO C[C@H]1CCCC[N@@H+]1CCCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000513524453 1042550142 /nfs/dbraw/zinc/55/01/42/1042550142.db2.gz GWQOYJWTLPDNLD-KBXCAEBGSA-N 1 3 322.443 4.196 20 0 DIADHO C[C@H]1CCCC[N@H+]1CCCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000513524453 1042550145 /nfs/dbraw/zinc/55/01/45/1042550145.db2.gz GWQOYJWTLPDNLD-KBXCAEBGSA-N 1 3 322.443 4.196 20 0 DIADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccncc1Cl ZINC000421819844 1042653381 /nfs/dbraw/zinc/65/33/81/1042653381.db2.gz JHQDORFJDLKERZ-HUUCEWRRSA-N 1 3 309.885 4.040 20 0 DIADHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccncc1Cl ZINC000421819844 1042653382 /nfs/dbraw/zinc/65/33/82/1042653382.db2.gz JHQDORFJDLKERZ-HUUCEWRRSA-N 1 3 309.885 4.040 20 0 DIADHO COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CCN(C2CCC2)CC1 ZINC000421824858 1042653630 /nfs/dbraw/zinc/65/36/30/1042653630.db2.gz KQLBDTBNVBYTTO-ZDUSSCGKSA-N 1 3 322.880 4.016 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](CCC(C)C)C(C)(C)C ZINC000422740167 1042689064 /nfs/dbraw/zinc/68/90/64/1042689064.db2.gz AXGZKOZVRXGQBT-QAPCUYQASA-N 1 3 305.510 4.350 20 0 DIADHO COc1ccccc1-c1ccc([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422780601 1042689839 /nfs/dbraw/zinc/68/98/39/1042689839.db2.gz KOKJDPARRDTCOI-PMPSAXMXSA-N 1 3 312.457 4.139 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000422905866 1042692514 /nfs/dbraw/zinc/69/25/14/1042692514.db2.gz ZPMCJMSZQSCQPZ-ZLGUVYLKSA-N 1 3 323.484 4.226 20 0 DIADHO c1ccc(CC[C@H](N[C@H]2CCC[NH2+]CC2)c2ccccc2)cc1 ZINC000422948210 1042694636 /nfs/dbraw/zinc/69/46/36/1042694636.db2.gz QXVHBZUJMKWXHJ-SFTDATJTSA-N 1 3 308.469 4.092 20 0 DIADHO C[C@H](N[C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21)C1C[NH2+]C1 ZINC000423006904 1042695114 /nfs/dbraw/zinc/69/51/14/1042695114.db2.gz WTLISZFTXJPSDI-USCONSEESA-N 1 3 320.480 4.045 20 0 DIADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c2ccccc21 ZINC000423084922 1042696854 /nfs/dbraw/zinc/69/68/54/1042696854.db2.gz JBQGAVLQCBHWFW-FCNFAXOHSA-N 1 3 310.416 4.196 20 0 DIADHO [NH3+][C@@H]1C[C@H](N[C@H]2CC[C@@H](c3ccccc3F)C2)c2ccccc21 ZINC000423093987 1042697646 /nfs/dbraw/zinc/69/76/46/1042697646.db2.gz IVGGVCKRELVMOD-ITHTXLDVSA-N 1 3 310.416 4.196 20 0 DIADHO [NH3+][C@H]1C[C@H](NC[C@H]2CCCC[C@H]2C(F)(F)F)c2ccccc21 ZINC000423126731 1042697958 /nfs/dbraw/zinc/69/79/58/1042697958.db2.gz OQJHQFXRAXGMIY-FWYOQMDTSA-N 1 3 312.379 4.090 20 0 DIADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)c2ccccc21 ZINC000423097847 1042698022 /nfs/dbraw/zinc/69/80/22/1042698022.db2.gz RHRWULIEKHUZCN-FCNFAXOHSA-N 1 3 310.416 4.196 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(C)CCC(C)(C)CC1 ZINC000423175506 1042699362 /nfs/dbraw/zinc/69/93/62/1042699362.db2.gz DSSGQUYGDLBAMH-CQSZACIVSA-N 1 3 303.494 4.106 20 0 DIADHO Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423290290 1042704066 /nfs/dbraw/zinc/70/40/66/1042704066.db2.gz CSPVWYVYPOSTGS-CHWSQXEVSA-N 1 3 317.502 4.445 20 0 DIADHO CSc1ccc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1F ZINC000423290407 1042704078 /nfs/dbraw/zinc/70/40/78/1042704078.db2.gz CVMMGGIPVOXDBY-CHWSQXEVSA-N 1 3 318.461 4.418 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000423290995 1042705280 /nfs/dbraw/zinc/70/52/80/1042705280.db2.gz GFUBCQFTSXCCJW-OLZOCXBDSA-N 1 3 320.383 4.159 20 0 DIADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(C(F)(F)F)cc1 ZINC000423369506 1042708728 /nfs/dbraw/zinc/70/87/28/1042708728.db2.gz DYJUUTRANMIMIN-LBPRGKRZSA-N 1 3 320.358 4.159 20 0 DIADHO C[C@H](CCCC[NH3+])N[C@H](C)c1csc(-c2ccccc2F)n1 ZINC000423427105 1042713081 /nfs/dbraw/zinc/71/30/81/1042713081.db2.gz IDVLJZZEZKJSOU-CHWSQXEVSA-N 1 3 321.465 4.117 20 0 DIADHO CC[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1OC ZINC000423514417 1042717442 /nfs/dbraw/zinc/71/74/42/1042717442.db2.gz WMMOJJRLMKHTGD-RTBURBONSA-N 1 3 312.457 4.216 20 0 DIADHO CN(Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000513976096 1042764702 /nfs/dbraw/zinc/76/47/02/1042764702.db2.gz QCQPXIBUBJUKBP-OAQYLSRUSA-N 1 3 308.469 4.173 20 0 DIADHO CN(Cc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000513976096 1042764704 /nfs/dbraw/zinc/76/47/04/1042764704.db2.gz QCQPXIBUBJUKBP-OAQYLSRUSA-N 1 3 308.469 4.173 20 0 DIADHO C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000514248546 1042776932 /nfs/dbraw/zinc/77/69/32/1042776932.db2.gz RTDCCQMNEBFQFE-JYJNAYRXSA-N 1 3 314.464 4.055 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+]C2CCC(C)(c3ccccc3)CC2)C1 ZINC000514692806 1042788026 /nfs/dbraw/zinc/78/80/26/1042788026.db2.gz FHFZPBJVWVXEKJ-KMFTYDHNSA-N 1 3 314.517 4.207 20 0 DIADHO Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@H](C)CN(C)C)cs2)cs1 ZINC000425947643 1042883091 /nfs/dbraw/zinc/88/30/91/1042883091.db2.gz VVMNKOMABQIBDM-NWDGAFQWSA-N 1 3 323.531 4.028 20 0 DIADHO c1ccc(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167987799 1042996925 /nfs/dbraw/zinc/99/69/25/1042996925.db2.gz NFHMDDWYMLTJSV-CBQGHPETSA-N 1 3 324.512 4.271 20 0 DIADHO c1ccc(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167987799 1042996928 /nfs/dbraw/zinc/99/69/28/1042996928.db2.gz NFHMDDWYMLTJSV-CBQGHPETSA-N 1 3 324.512 4.271 20 0 DIADHO c1ccc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)cc1 ZINC001167987799 1042996929 /nfs/dbraw/zinc/99/69/29/1042996929.db2.gz NFHMDDWYMLTJSV-CBQGHPETSA-N 1 3 324.512 4.271 20 0 DIADHO C[C@@H](NC1CC[NH+](C)CC1)c1cccc(SC(F)(F)F)c1 ZINC000866217173 1043161350 /nfs/dbraw/zinc/16/13/50/1043161350.db2.gz DIZAJRFZDBMBPA-LLVKDONJSA-N 1 3 318.408 4.043 20 0 DIADHO CC(C)c1nc([C@H](C)NC2CCC(C)([NH+](C)C)CC2)cs1 ZINC000866516930 1043216332 /nfs/dbraw/zinc/21/63/32/1043216332.db2.gz DVTDOEKXWINLER-CBCUQQMYSA-N 1 3 309.523 4.180 20 0 DIADHO CC[N@H+](C)Cc1cccc(CNCc2cc(Cl)cs2)c1 ZINC000193086630 1043279450 /nfs/dbraw/zinc/27/94/50/1043279450.db2.gz INXCHPRRCZVDMR-UHFFFAOYSA-N 1 3 308.878 4.143 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CNCc2cc(Cl)cs2)c1 ZINC000193086630 1043279458 /nfs/dbraw/zinc/27/94/58/1043279458.db2.gz INXCHPRRCZVDMR-UHFFFAOYSA-N 1 3 308.878 4.143 20 0 DIADHO Cc1cc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1-c1ccccc1 ZINC000427862907 1043311149 /nfs/dbraw/zinc/31/11/49/1043311149.db2.gz IPDMOXWCQYXBHN-DYESRHJHSA-N 1 3 308.469 4.092 20 0 DIADHO Cc1cc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1-c1ccccc1 ZINC000427862907 1043311156 /nfs/dbraw/zinc/31/11/56/1043311156.db2.gz IPDMOXWCQYXBHN-DYESRHJHSA-N 1 3 308.469 4.092 20 0 DIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(Cl)c(Cl)c1 ZINC000665264492 1043334969 /nfs/dbraw/zinc/33/49/69/1043334969.db2.gz ADCYGLZUKMAWDO-SNVBAGLBSA-N 1 3 324.255 4.006 20 0 DIADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(Cl)c(Cl)c1 ZINC000665264491 1043335189 /nfs/dbraw/zinc/33/51/89/1043335189.db2.gz ADCYGLZUKMAWDO-JTQLQIEISA-N 1 3 324.255 4.006 20 0 DIADHO C[C@H](N[C@@H]1CCc2ccc(F)cc21)c1cccc(C[NH+](C)C)c1 ZINC000925374403 1043414689 /nfs/dbraw/zinc/41/46/89/1043414689.db2.gz NEWVRUBGNIPYKK-VBKZILBWSA-N 1 3 312.432 4.225 20 0 DIADHO CC1(C)C[C@@H](NC2CC[NH+](C3CC3)CC2)c2ccccc2S1 ZINC000872017739 1043419307 /nfs/dbraw/zinc/41/93/07/1043419307.db2.gz FHLSRKSRLVNYNL-QGZVFWFLSA-N 1 3 316.514 4.219 20 0 DIADHO C[C@@H]([NH2+]C1CCC(C(F)F)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000442839794 1043433536 /nfs/dbraw/zinc/43/35/36/1043433536.db2.gz YEPOLZCPJMAHAK-CIDNJEQPSA-N 1 3 314.464 4.053 20 0 DIADHO CC[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000872052202 1043435896 /nfs/dbraw/zinc/43/58/96/1043435896.db2.gz MGCWXPWOHZFVHA-HUUCEWRRSA-N 1 3 308.432 4.065 20 0 DIADHO C[C@@H](N[C@H]1C[C@@H](C)c2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000558161101 1043446818 /nfs/dbraw/zinc/44/68/18/1043446818.db2.gz WRLFCCCTKJCKKF-LHUKNYEISA-N 1 3 312.501 4.478 20 0 DIADHO C[C@@H](N[C@H]1C[C@@H](C)c2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000558161101 1043446825 /nfs/dbraw/zinc/44/68/25/1043446825.db2.gz WRLFCCCTKJCKKF-LHUKNYEISA-N 1 3 312.501 4.478 20 0 DIADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283171182 1043462169 /nfs/dbraw/zinc/46/21/69/1043462169.db2.gz JEVJOSYFOJSIRB-NDXORKPFSA-N 1 3 312.501 4.175 20 0 DIADHO CC[C@H](NC[C@H]1C[NH2+]CCC1(F)F)c1cccc2ccccc21 ZINC000925776488 1043469975 /nfs/dbraw/zinc/46/99/75/1043469975.db2.gz KSSIKVXQOFRVNX-QAPCUYQASA-N 1 3 318.411 4.125 20 0 DIADHO CCC[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(Cl)cc1 ZINC000925780555 1043471485 /nfs/dbraw/zinc/47/14/85/1043471485.db2.gz SYLMNBIMUVTMCR-HIFRSBDPSA-N 1 3 316.823 4.016 20 0 DIADHO CC(C)(C)c1ccc(CCNC2CC([NH+]3CCCCC3)C2)cc1 ZINC000558574371 1043547089 /nfs/dbraw/zinc/54/70/89/1043547089.db2.gz GDIJJCCXIQJQER-UHFFFAOYSA-N 1 3 314.517 4.133 20 0 DIADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000474066010 1043566271 /nfs/dbraw/zinc/56/62/71/1043566271.db2.gz NOKCZPUGFYOLCS-JKSUJKDBSA-N 1 3 316.480 4.158 20 0 DIADHO Cc1occc1C[NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168019228 1043566595 /nfs/dbraw/zinc/56/65/95/1043566595.db2.gz HPHHVMFABQGLID-HOTGVXAUSA-N 1 3 312.457 4.119 20 0 DIADHO CC(C)CC[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccoc1 ZINC000353457020 1043608435 /nfs/dbraw/zinc/60/84/35/1043608435.db2.gz YBJCQWQMEKBAQC-LJQANCHMSA-N 1 3 304.478 4.221 20 0 DIADHO Clc1ccc2c(c1)CC[C@@H]2N1CCC(C[NH+]2CCCC2)CC1 ZINC000777686453 1043741815 /nfs/dbraw/zinc/74/18/15/1043741815.db2.gz ASXXKQOPIPXTEO-IBGZPJMESA-N 1 3 318.892 4.135 20 0 DIADHO C[C@@H]1C[C@H]([NH2+]CC2(CN(C)C)CCCC2)c2ccsc2S1 ZINC000355055157 1043743460 /nfs/dbraw/zinc/74/34/60/1043743460.db2.gz DDGGZIUZRVMTBI-HIFRSBDPSA-N 1 3 324.559 4.385 20 0 DIADHO C[C@H](N[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccc[nH]1 ZINC000877123946 1043747400 /nfs/dbraw/zinc/74/74/00/1043747400.db2.gz GSSNUOZRGQIBIN-RIFZZMRRSA-N 1 3 309.457 4.033 20 0 DIADHO C[C@H](N[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccc[nH]1 ZINC000877123946 1043747410 /nfs/dbraw/zinc/74/74/10/1043747410.db2.gz GSSNUOZRGQIBIN-RIFZZMRRSA-N 1 3 309.457 4.033 20 0 DIADHO CC(C)N(C)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474464202 1043791887 /nfs/dbraw/zinc/79/18/87/1043791887.db2.gz LYPKVBNACQFSQQ-HZSPNIEDSA-N 1 3 314.926 4.213 20 0 DIADHO CC(C)[C@@H](C[NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccccc1 ZINC000474713743 1043896627 /nfs/dbraw/zinc/89/66/27/1043896627.db2.gz PXZDOTRDVVRBOI-AZUAARDMSA-N 1 3 302.506 4.136 20 0 DIADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CCCCC1 ZINC000474729815 1043903533 /nfs/dbraw/zinc/90/35/33/1043903533.db2.gz GUDGEZOTJRTLRC-UYAOXDASSA-N 1 3 314.517 4.109 20 0 DIADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CCCCC1 ZINC000474729812 1043903735 /nfs/dbraw/zinc/90/37/35/1043903735.db2.gz GUDGEZOTJRTLRC-AZUAARDMSA-N 1 3 314.517 4.109 20 0 DIADHO CCC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000358054981 1044012656 /nfs/dbraw/zinc/01/26/56/1044012656.db2.gz BIRHGJALKYCUAR-GGPKGHCWSA-N 1 3 318.505 4.007 20 0 DIADHO C[C@@H]1CC(N2CC3(C2)CCCC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168044850 1044024586 /nfs/dbraw/zinc/02/45/86/1044024586.db2.gz GYPDULANBRVZHG-QZTJIDSGSA-N 1 3 312.501 4.304 20 0 DIADHO C[C@H](C[N@@H+]1CCCC12CCN(C)CC2)c1cccc(Cl)c1 ZINC000475130728 1044281219 /nfs/dbraw/zinc/28/12/19/1044281219.db2.gz PAUAUKGDWNMKJI-OAHLLOKOSA-N 1 3 306.881 4.004 20 0 DIADHO C[C@H](C[N@H+]1CCCC12CCN(C)CC2)c1cccc(Cl)c1 ZINC000475130728 1044281234 /nfs/dbraw/zinc/28/12/34/1044281234.db2.gz PAUAUKGDWNMKJI-OAHLLOKOSA-N 1 3 306.881 4.004 20 0 DIADHO C/C(=C/c1ccccc1)CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475297521 1044348726 /nfs/dbraw/zinc/34/87/26/1044348726.db2.gz XNABGCAMNZMLHT-DJAVKIJBSA-N 1 3 320.480 4.202 20 0 DIADHO C/C(=C/c1ccccc1)CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475297521 1044348742 /nfs/dbraw/zinc/34/87/42/1044348742.db2.gz XNABGCAMNZMLHT-DJAVKIJBSA-N 1 3 320.480 4.202 20 0 DIADHO c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cs1 ZINC000111391658 1044433457 /nfs/dbraw/zinc/43/34/57/1044433457.db2.gz CHEWMZLAPHYLMR-YQQQUEKLSA-N 1 3 312.482 4.033 20 0 DIADHO C([NH2+]C1CCN(C2CCCCC2)CC1)C1(C2CCC2)CCC1 ZINC001202683390 1044468645 /nfs/dbraw/zinc/46/86/45/1044468645.db2.gz LQAVKOHVIPYLJL-UHFFFAOYSA-N 1 3 304.522 4.344 20 0 DIADHO CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000566039413 1044470449 /nfs/dbraw/zinc/47/04/49/1044470449.db2.gz OVMONCXDCOGDLM-VAMGGRTRSA-N 1 3 300.490 4.067 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)[C@H](C)c2ccc(Cl)cc2)C1 ZINC000566587742 1044501556 /nfs/dbraw/zinc/50/15/56/1044501556.db2.gz FNJBFTCLAIOGEW-HRCADAONSA-N 1 3 308.897 4.152 20 0 DIADHO Cc1cnccc1CNCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000295332003 1044510864 /nfs/dbraw/zinc/51/08/64/1044510864.db2.gz ZPFWRMMMRQSFHI-UHFFFAOYSA-N 1 3 323.484 4.056 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000567966218 1044594031 /nfs/dbraw/zinc/59/40/31/1044594031.db2.gz VAAXMJSJRFJESL-QRNKSROTSA-N 1 3 320.443 4.064 20 0 DIADHO CC(C)[C@@H]1C[C@@H](NC2CC[NH+](C(C)C)CC2)c2ccccc21 ZINC000568948246 1044663418 /nfs/dbraw/zinc/66/34/18/1044663418.db2.gz BQGPUMZKRBSUJW-VQTJNVASSA-N 1 3 300.490 4.333 20 0 DIADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1cc(Cl)cc(Cl)c1 ZINC000570332999 1044751913 /nfs/dbraw/zinc/75/19/13/1044751913.db2.gz GUWRXVHGNLXJFU-NSHDSACASA-N 1 3 309.240 4.303 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC000573950983 1044934984 /nfs/dbraw/zinc/93/49/84/1044934984.db2.gz HHONJGNHPHJLFD-SNRMKQJTSA-N 1 3 323.484 4.226 20 0 DIADHO C[C@H](NCC[C@H]1CCC[N@@H+]1C)c1ccc(F)c2ccccc21 ZINC000575213515 1044992889 /nfs/dbraw/zinc/99/28/89/1044992889.db2.gz FQAWGIADOMHKDV-LSDHHAIUSA-N 1 3 300.421 4.114 20 0 DIADHO C[C@H](NCC[C@H]1CCC[N@H+]1C)c1ccc(F)c2ccccc21 ZINC000575213515 1044992904 /nfs/dbraw/zinc/99/29/04/1044992904.db2.gz FQAWGIADOMHKDV-LSDHHAIUSA-N 1 3 300.421 4.114 20 0 DIADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(F)c2ccccc21 ZINC000575213515 1044992917 /nfs/dbraw/zinc/99/29/17/1044992917.db2.gz FQAWGIADOMHKDV-LSDHHAIUSA-N 1 3 300.421 4.114 20 0 DIADHO Cc1ccc(-c2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)c2)cc1 ZINC000447580685 1045158968 /nfs/dbraw/zinc/15/89/68/1045158968.db2.gz PZAAKZVVNIEPBU-FRIKZZABSA-N 1 3 320.480 4.377 20 0 DIADHO CSc1ccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000924771416 1045198636 /nfs/dbraw/zinc/19/86/36/1045198636.db2.gz YDAFGTYIRCVVNR-OAHLLOKOSA-N 1 3 314.498 4.321 20 0 DIADHO C[C@@H](N[C@H]1CCCOc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000924884156 1045208237 /nfs/dbraw/zinc/20/82/37/1045208237.db2.gz WPGIHVQKRBXMCC-UZLBHIALSA-N 1 3 324.468 4.313 20 0 DIADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CCCC2(F)F)CC1 ZINC000449499652 1045403344 /nfs/dbraw/zinc/40/33/44/1045403344.db2.gz UCDGXQBOUFSQJF-INMHGKMJSA-N 1 3 314.464 4.055 20 0 DIADHO Cc1ccccc1-c1ccccc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449561220 1045414797 /nfs/dbraw/zinc/41/47/97/1045414797.db2.gz SKLALSQSIMGLAK-IHWFROFDSA-N 1 3 320.480 4.377 20 0 DIADHO Cc1ccccc1-c1ccccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561220 1045414800 /nfs/dbraw/zinc/41/48/00/1045414800.db2.gz SKLALSQSIMGLAK-IHWFROFDSA-N 1 3 320.480 4.377 20 0 DIADHO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000450724601 1045556223 /nfs/dbraw/zinc/55/62/23/1045556223.db2.gz GRIFLYDUGZMGKV-NVXWUHKLSA-N 1 3 320.908 4.125 20 0 DIADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1cc2cccc(F)c2o1 ZINC000530394401 1045657076 /nfs/dbraw/zinc/65/70/76/1045657076.db2.gz JFFLIDCRWICHKP-HIFRSBDPSA-N 1 3 304.409 4.097 20 0 DIADHO COc1cc(C)c([C@@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1C ZINC000753609532 1045775663 /nfs/dbraw/zinc/77/56/63/1045775663.db2.gz DSTKDGPWEDUNSH-QGZVFWFLSA-N 1 3 318.505 4.083 20 0 DIADHO COc1cc(C)c([C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1C ZINC000753676533 1045788774 /nfs/dbraw/zinc/78/87/74/1045788774.db2.gz GZOSYAUXZATOED-INIZCTEOSA-N 1 3 318.505 4.226 20 0 DIADHO C[C@@H](CCc1ccco1)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000531692240 1045894813 /nfs/dbraw/zinc/89/48/13/1045894813.db2.gz JLBQXFNXKJCJCX-ZIFCJYIRSA-N 1 3 318.505 4.233 20 0 DIADHO CCCCCOc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000531716354 1045906777 /nfs/dbraw/zinc/90/67/77/1045906777.db2.gz RVSAQPOHPJNEMZ-QZTJIDSGSA-N 1 3 318.505 4.248 20 0 DIADHO CCCCCOc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000531716354 1045906785 /nfs/dbraw/zinc/90/67/85/1045906785.db2.gz RVSAQPOHPJNEMZ-QZTJIDSGSA-N 1 3 318.505 4.248 20 0 DIADHO CC[C@@H](NCc1ccccc1C[N@H+](C)C(C)C)c1ccncc1 ZINC000453065882 1045915173 /nfs/dbraw/zinc/91/51/73/1045915173.db2.gz VTVKFLJZRSIBJT-HXUWFJFHSA-N 1 3 311.473 4.163 20 0 DIADHO CC[C@@H](NCc1ccccc1C[N@@H+](C)C(C)C)c1ccncc1 ZINC000453065882 1045915180 /nfs/dbraw/zinc/91/51/80/1045915180.db2.gz VTVKFLJZRSIBJT-HXUWFJFHSA-N 1 3 311.473 4.163 20 0 DIADHO CC[C@H](NCc1ccc(C[NH+](CC)CC)cc1)c1ccncc1 ZINC000453080796 1045926426 /nfs/dbraw/zinc/92/64/26/1045926426.db2.gz KIPZEJRNVXZCIK-FQEVSTJZSA-N 1 3 311.473 4.164 20 0 DIADHO C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-c2cccnc2)cc1 ZINC000902333187 1045978735 /nfs/dbraw/zinc/97/87/35/1045978735.db2.gz HUNUBESLEKHTJU-UZLBHIALSA-N 1 3 323.484 4.177 20 0 DIADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(-c2ccccc2)o1 ZINC000453365665 1046065677 /nfs/dbraw/zinc/06/56/77/1046065677.db2.gz SRQFNSIIFVRTLQ-CCNLRDMRSA-N 1 3 310.441 4.222 20 0 DIADHO CCSc1ccccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000453377772 1046072432 /nfs/dbraw/zinc/07/24/32/1046072432.db2.gz ZANYFZRSKZAPTP-HNSVSWJLSA-N 1 3 304.503 4.074 20 0 DIADHO c1ccc2c(c1)CC[C@H]2NCc1ccccc1C[NH+]1CCCCC1 ZINC000532201586 1046112309 /nfs/dbraw/zinc/11/23/09/1046112309.db2.gz HDIJCQDXFUKTEO-JOCHJYFZSA-N 1 3 320.480 4.450 20 0 DIADHO C[C@H]([NH2+]CCCN1CCCCC1)c1cc2cccc(F)c2o1 ZINC000475706157 1046163578 /nfs/dbraw/zinc/16/35/78/1046163578.db2.gz NYHBNTIKUROLTH-AWEZNQCLSA-N 1 3 304.409 4.099 20 0 DIADHO C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-c2ccncc2)cc1 ZINC000635008956 1046170991 /nfs/dbraw/zinc/17/09/91/1046170991.db2.gz FQKSFJGADUQKEH-OXQOHEQNSA-N 1 3 323.484 4.177 20 0 DIADHO Cc1c2ccccc2oc1[C@H](C)NCc1cccc2c1CC[NH2+]C2 ZINC000635008944 1046171186 /nfs/dbraw/zinc/17/11/86/1046171186.db2.gz HREIRPFSYBTDQW-HNNXBMFYSA-N 1 3 320.436 4.238 20 0 DIADHO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-c2ccncc2)cc1 ZINC000635008951 1046171958 /nfs/dbraw/zinc/17/19/58/1046171958.db2.gz FQKSFJGADUQKEH-JXFKEZNVSA-N 1 3 323.484 4.177 20 0 DIADHO Cc1oc2ccccc2c1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903153186 1046176455 /nfs/dbraw/zinc/17/64/55/1046176455.db2.gz QUONIZVFXXKWDG-ZNXRZULTSA-N 1 3 324.468 4.031 20 0 DIADHO Cc1oc2ccccc2c1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903153186 1046176463 /nfs/dbraw/zinc/17/64/63/1046176463.db2.gz QUONIZVFXXKWDG-ZNXRZULTSA-N 1 3 324.468 4.031 20 0 DIADHO C([NH2+]C1CCN(C2CCCCC2)CC1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000903159511 1046180759 /nfs/dbraw/zinc/18/07/59/1046180759.db2.gz ISXXOOBTUBDVSV-QNBRMCRTSA-N 1 3 322.562 4.047 20 0 DIADHO CCOc1ccc2ccccc2c1C[N@H+](CC)CCCN(C)C ZINC001138444986 1046185405 /nfs/dbraw/zinc/18/54/05/1046185405.db2.gz QBOMZCVBZWSSNH-UHFFFAOYSA-N 1 3 314.473 4.012 20 0 DIADHO CCOc1ccc2ccccc2c1C[N@@H+](CC)CCCN(C)C ZINC001138444986 1046185413 /nfs/dbraw/zinc/18/54/13/1046185413.db2.gz QBOMZCVBZWSSNH-UHFFFAOYSA-N 1 3 314.473 4.012 20 0 DIADHO C[C@@H](NC1CCC(C)([NH+]2CCCC2)CC1)c1cccnc1Cl ZINC000903252804 1046209084 /nfs/dbraw/zinc/20/90/84/1046209084.db2.gz HLFORSKAEJDDDI-KSTDHSDQSA-N 1 3 321.896 4.183 20 0 DIADHO C[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001168166847 1046227859 /nfs/dbraw/zinc/22/78/59/1046227859.db2.gz NEAKJAXYARRGFF-CRAIPNDOSA-N 1 3 320.908 4.268 20 0 DIADHO C[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001168166847 1046227866 /nfs/dbraw/zinc/22/78/66/1046227866.db2.gz NEAKJAXYARRGFF-CRAIPNDOSA-N 1 3 320.908 4.268 20 0 DIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CCC(F)(F)C2)CC1 ZINC000648482952 1046323353 /nfs/dbraw/zinc/32/33/53/1046323353.db2.gz ZOKFDRLVYULIDZ-OAHLLOKOSA-N 1 3 316.480 4.443 20 0 DIADHO CN1CC[C@]2(CC[N@H+](Cc3ccc(-c4cccs4)s3)C2)C1 ZINC001139023424 1046361794 /nfs/dbraw/zinc/36/17/94/1046361794.db2.gz VDGMKPYLWGODFL-KRWDZBQOSA-N 1 3 318.511 4.004 20 0 DIADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(-c4cccs4)s3)C2)C1 ZINC001139023424 1046361809 /nfs/dbraw/zinc/36/18/09/1046361809.db2.gz VDGMKPYLWGODFL-KRWDZBQOSA-N 1 3 318.511 4.004 20 0 DIADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(Cl)c(F)c1 ZINC000536626266 1046539923 /nfs/dbraw/zinc/53/99/23/1046539923.db2.gz WJELXUDPHUPILJ-ZDUSSCGKSA-N 1 3 320.839 4.392 20 0 DIADHO C[C@H](c1ccccc1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000532989347 1046636456 /nfs/dbraw/zinc/63/64/56/1046636456.db2.gz QMRKVQVQFTVTPV-UYAOXDASSA-N 1 3 308.469 4.202 20 0 DIADHO C[C@H](c1ccccc1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000532989347 1046636461 /nfs/dbraw/zinc/63/64/61/1046636461.db2.gz QMRKVQVQFTVTPV-UYAOXDASSA-N 1 3 308.469 4.202 20 0 DIADHO C[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000643521645 1046669211 /nfs/dbraw/zinc/66/92/11/1046669211.db2.gz RSQSWIDGWSPRQX-CJNGLKHVSA-N 1 3 318.461 4.347 20 0 DIADHO C[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(-c2ccccc2)s1 ZINC000643522860 1046669403 /nfs/dbraw/zinc/66/94/03/1046669403.db2.gz TVFSTYROCXOJDC-GOEBONIOSA-N 1 3 300.471 4.208 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678769170 1046696161 /nfs/dbraw/zinc/69/61/61/1046696161.db2.gz MUCVHXDARDISHY-MBOZVWFJSA-N 1 3 300.490 4.020 20 0 DIADHO CC(C)[N@@H+]1CCC[C@H](CN[C@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678769170 1046696166 /nfs/dbraw/zinc/69/61/66/1046696166.db2.gz MUCVHXDARDISHY-MBOZVWFJSA-N 1 3 300.490 4.020 20 0 DIADHO CC(C)[N@H+]1CCC[C@H](CN[C@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678769170 1046696172 /nfs/dbraw/zinc/69/61/72/1046696172.db2.gz MUCVHXDARDISHY-MBOZVWFJSA-N 1 3 300.490 4.020 20 0 DIADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1cccc(C(F)(F)F)c1 ZINC000678997715 1046752564 /nfs/dbraw/zinc/75/25/64/1046752564.db2.gz ISPPMXBIWXMDEX-CZUORRHYSA-N 1 3 314.395 4.230 20 0 DIADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(F)c3ccccc32)C1 ZINC000645393672 1046789945 /nfs/dbraw/zinc/78/99/45/1046789945.db2.gz MNSBUDSDXBVBCX-HOTGVXAUSA-N 1 3 314.448 4.361 20 0 DIADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(F)c3ccccc32)C1 ZINC000645393672 1046789950 /nfs/dbraw/zinc/78/99/50/1046789950.db2.gz MNSBUDSDXBVBCX-HOTGVXAUSA-N 1 3 314.448 4.361 20 0 DIADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c3ccccc32)C1 ZINC000645393672 1046789963 /nfs/dbraw/zinc/78/99/63/1046789963.db2.gz MNSBUDSDXBVBCX-HOTGVXAUSA-N 1 3 314.448 4.361 20 0 DIADHO COc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)cc1CN1CCCCC1 ZINC000797129534 1046793531 /nfs/dbraw/zinc/79/35/31/1046793531.db2.gz MNPMOFVAASFERI-BXWFABGCSA-N 1 3 316.489 4.130 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCSc3ccc(Cl)cc32)C1 ZINC000247054061 1046826229 /nfs/dbraw/zinc/82/62/29/1046826229.db2.gz NLQNRWYWVXJVHQ-BBRMVZONSA-N 1 3 324.921 4.198 20 0 DIADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1coc2ccccc12 ZINC001140786540 1046899633 /nfs/dbraw/zinc/89/96/33/1046899633.db2.gz FRDOWHBDOKAYKB-ZWKOTPCHSA-N 1 3 312.457 4.272 20 0 DIADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1coc2ccccc12 ZINC001140786540 1046899646 /nfs/dbraw/zinc/89/96/46/1046899646.db2.gz FRDOWHBDOKAYKB-ZWKOTPCHSA-N 1 3 312.457 4.272 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1coc2ccccc12 ZINC001140786540 1046899660 /nfs/dbraw/zinc/89/96/60/1046899660.db2.gz FRDOWHBDOKAYKB-ZWKOTPCHSA-N 1 3 312.457 4.272 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1coc2ccccc12 ZINC001140786540 1046899680 /nfs/dbraw/zinc/89/96/80/1046899680.db2.gz FRDOWHBDOKAYKB-ZWKOTPCHSA-N 1 3 312.457 4.272 20 0 DIADHO Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379646895 1047089619 /nfs/dbraw/zinc/08/96/19/1047089619.db2.gz JQRIKUFUDAJGET-GHTZIAJQSA-N 1 3 308.469 4.138 20 0 DIADHO Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379646895 1047089632 /nfs/dbraw/zinc/08/96/32/1047089632.db2.gz JQRIKUFUDAJGET-GHTZIAJQSA-N 1 3 308.469 4.138 20 0 DIADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2oc3ccccc3c2C)C1 ZINC001116293264 1047127100 /nfs/dbraw/zinc/12/71/00/1047127100.db2.gz LFIZHXXSMBVTHQ-JKSUJKDBSA-N 1 3 300.446 4.124 20 0 DIADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H](c2ccccc2)C2CC2)C1 ZINC000537014113 1047131618 /nfs/dbraw/zinc/13/16/18/1047131618.db2.gz CBHAQBXVFRMXLD-YLJYHZDGSA-N 1 3 300.490 4.095 20 0 DIADHO CC(C)C[N@H+]1CCC[C@H](CN[C@H](c2ccccc2)C2CC2)C1 ZINC000537014113 1047131623 /nfs/dbraw/zinc/13/16/23/1047131623.db2.gz CBHAQBXVFRMXLD-YLJYHZDGSA-N 1 3 300.490 4.095 20 0 DIADHO C[C@@H]1CC[C@H](NCc2ccc(C[NH3+])cc2F)c2sccc21 ZINC000650756210 1047278440 /nfs/dbraw/zinc/27/84/40/1047278440.db2.gz WPBHRBOZLHZJLV-BZNIZROVSA-N 1 3 304.434 4.074 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(SC)c(F)c1 ZINC000650758393 1047278801 /nfs/dbraw/zinc/27/88/01/1047278801.db2.gz OKTGYFHMQXNTKL-CYBMUJFWSA-N 1 3 318.461 4.118 20 0 DIADHO C[C@H]1CC[C@@H](NCc2ccc(C[NH3+])cc2F)c2sccc21 ZINC000650756211 1047278985 /nfs/dbraw/zinc/27/89/85/1047278985.db2.gz WPBHRBOZLHZJLV-MEDUHNTESA-N 1 3 304.434 4.074 20 0 DIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)S4)CC2)C1 ZINC000897748936 1047284631 /nfs/dbraw/zinc/28/46/31/1047284631.db2.gz LTDCLZVYKXZICZ-WFDLBOFBSA-N 1 3 322.562 4.046 20 0 DIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)S4)CC2)C1 ZINC000897748935 1047284697 /nfs/dbraw/zinc/28/46/97/1047284697.db2.gz LTDCLZVYKXZICZ-VAYAGCRFSA-N 1 3 322.562 4.046 20 0 DIADHO CC[C@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000651211001 1047302794 /nfs/dbraw/zinc/30/27/94/1047302794.db2.gz YOBNALZMCVRDKL-CTNGQTDRSA-N 1 3 323.484 4.035 20 0 DIADHO CC[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000651211001 1047302808 /nfs/dbraw/zinc/30/28/08/1047302808.db2.gz YOBNALZMCVRDKL-CTNGQTDRSA-N 1 3 323.484 4.035 20 0 DIADHO CC(C)(C)N1CCC([NH2+]CCC2CCC(F)(F)CC2)CC1 ZINC000898031389 1047313585 /nfs/dbraw/zinc/31/35/85/1047313585.db2.gz GJCWAFWDUVIXKD-UHFFFAOYSA-N 1 3 302.453 4.055 20 0 DIADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651829468 1047329589 /nfs/dbraw/zinc/32/95/89/1047329589.db2.gz DCBAROCFJDRERH-QZTJIDSGSA-N 1 3 323.484 4.131 20 0 DIADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651829468 1047329603 /nfs/dbraw/zinc/32/96/03/1047329603.db2.gz DCBAROCFJDRERH-QZTJIDSGSA-N 1 3 323.484 4.131 20 0 DIADHO C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843363608 1047543341 /nfs/dbraw/zinc/54/33/41/1047543341.db2.gz BTXXLUQJVUWYFP-LBPRGKRZSA-N 1 3 313.272 4.130 20 0 DIADHO Cc1ccccc1-c1ccccc1C[N@@H+]1CCCC[C@@H](CN)C1 ZINC001206632505 1047571906 /nfs/dbraw/zinc/57/19/06/1047571906.db2.gz LVDKNLBOTSLIGK-SFHVURJKSA-N 1 3 308.469 4.223 20 0 DIADHO Cc1ccccc1-c1ccccc1C[N@H+]1CCCC[C@@H](CN)C1 ZINC001206632505 1047571912 /nfs/dbraw/zinc/57/19/12/1047571912.db2.gz LVDKNLBOTSLIGK-SFHVURJKSA-N 1 3 308.469 4.223 20 0 DIADHO CC(C)C[C@H](C[NH2+][C@@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000666993985 1047610361 /nfs/dbraw/zinc/61/03/61/1047610361.db2.gz ZNQOWIATSGTPDC-RTBURBONSA-N 1 3 300.490 4.081 20 0 DIADHO C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995524 1047611682 /nfs/dbraw/zinc/61/16/82/1047611682.db2.gz QDYWEPHYVZDSPN-WMZOPIPTSA-N 1 3 300.490 4.007 20 0 DIADHO CC(C)(C)[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC001168356764 1047611714 /nfs/dbraw/zinc/61/17/14/1047611714.db2.gz WIVPQIVYZFIPCT-LJQANCHMSA-N 1 3 300.490 4.238 20 0 DIADHO Clc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCNC3(CCC3)C2)cc1 ZINC000666995422 1047612213 /nfs/dbraw/zinc/61/22/13/1047612213.db2.gz NPXCDLAHOBPFCI-BZSNNMDCSA-N 1 3 318.892 4.240 20 0 DIADHO Clc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCNC3(CCC3)C2)cc1 ZINC000666995425 1047612899 /nfs/dbraw/zinc/61/28/99/1047612899.db2.gz NPXCDLAHOBPFCI-SQNIBIBYSA-N 1 3 318.892 4.240 20 0 DIADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C[C@@H](c2ccccc2)C1 ZINC000666995055 1047613681 /nfs/dbraw/zinc/61/36/81/1047613681.db2.gz BNMZTMADPHZUEZ-FFGOWVMKSA-N 1 3 312.501 4.223 20 0 DIADHO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000666995058 1047613709 /nfs/dbraw/zinc/61/37/09/1047613709.db2.gz BNMZTMADPHZUEZ-RNQOJCNYSA-N 1 3 312.501 4.223 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@@H]3CC[N@@H+](C)C[C@H]3C)c2)cc1 ZINC000537957791 1047646586 /nfs/dbraw/zinc/64/65/86/1047646586.db2.gz UZYDKHIAOSRFST-DYESRHJHSA-N 1 3 308.469 4.092 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@@H]3CC[N@H+](C)C[C@H]3C)c2)cc1 ZINC000537957791 1047646590 /nfs/dbraw/zinc/64/65/90/1047646590.db2.gz UZYDKHIAOSRFST-DYESRHJHSA-N 1 3 308.469 4.092 20 0 DIADHO CC(C)C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccccc1F ZINC001168359553 1047694889 /nfs/dbraw/zinc/69/48/89/1047694889.db2.gz BPZKYAZNDLYVAV-HXUWFJFHSA-N 1 3 318.480 4.377 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000539093666 1047735682 /nfs/dbraw/zinc/73/56/82/1047735682.db2.gz RMDCUPAFTHQSNH-IBGZPJMESA-N 1 3 300.490 4.380 20 0 DIADHO CC(C)(C)[NH+]1CCC(N[C@@H](CC2CC2)c2ccccc2)CC1 ZINC000539093666 1047735685 /nfs/dbraw/zinc/73/56/85/1047735685.db2.gz RMDCUPAFTHQSNH-IBGZPJMESA-N 1 3 300.490 4.380 20 0 DIADHO CC(C)Sc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC000539300908 1047745564 /nfs/dbraw/zinc/74/55/64/1047745564.db2.gz QRQHKGUSUGAKSE-RDJZCZTQSA-N 1 3 306.519 4.322 20 0 DIADHO Cc1csc2sc(C[N@@H+]3C[C@@H](C)CC[C@@H]3CN)c(C)c12 ZINC001205827261 1047927822 /nfs/dbraw/zinc/92/78/22/1047927822.db2.gz GDPNZMBPDORKPO-GXFFZTMASA-N 1 3 308.516 4.139 20 0 DIADHO Cc1csc2sc(C[N@H+]3C[C@@H](C)CC[C@@H]3CN)c(C)c12 ZINC001205827261 1047927830 /nfs/dbraw/zinc/92/78/30/1047927830.db2.gz GDPNZMBPDORKPO-GXFFZTMASA-N 1 3 308.516 4.139 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000479578176 1047934352 /nfs/dbraw/zinc/93/43/52/1047934352.db2.gz KSQPQUIJZVSGCK-RDTXWAMCSA-N 1 3 306.881 4.037 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000479578175 1047934876 /nfs/dbraw/zinc/93/48/76/1047934876.db2.gz KSQPQUIJZVSGCK-KSSFIOAISA-N 1 3 306.881 4.037 20 0 DIADHO CC(C)(C)N1CCC([NH2+]CC[C@@H]2C[C@H]2Cc2ccccc2)CC1 ZINC001184152999 1047999390 /nfs/dbraw/zinc/99/93/90/1047999390.db2.gz BJNWIXKAKLDQIF-RTBURBONSA-N 1 3 314.517 4.108 20 0 DIADHO c1ccc(C2([NH2+]C3CCN(C4CCCCC4)CC3)CCC2)cc1 ZINC000554183880 1048028448 /nfs/dbraw/zinc/02/84/48/1048028448.db2.gz HVNDSYQMVGYWTD-UHFFFAOYSA-N 1 3 312.501 4.453 20 0 DIADHO CC[NH+]1CCC(N[C@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000480035506 1048031528 /nfs/dbraw/zinc/03/15/28/1048031528.db2.gz CACZBBQWAMDERT-SFHVURJKSA-N 1 3 306.881 4.181 20 0 DIADHO c1ccc2c(c1)cccc2CNC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001203271729 1048035476 /nfs/dbraw/zinc/03/54/76/1048035476.db2.gz XEGQADQKSKQBHE-SFHVURJKSA-N 1 3 308.469 4.051 20 0 DIADHO c1ccc2c(c1)cccc2CNC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001203271729 1048035487 /nfs/dbraw/zinc/03/54/87/1048035487.db2.gz XEGQADQKSKQBHE-SFHVURJKSA-N 1 3 308.469 4.051 20 0 DIADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000480145678 1048067766 /nfs/dbraw/zinc/06/77/66/1048067766.db2.gz HNZHCWWYODJRAR-CABCVRRESA-N 1 3 308.432 4.065 20 0 DIADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000480145679 1048068322 /nfs/dbraw/zinc/06/83/22/1048068322.db2.gz HNZHCWWYODJRAR-GJZGRUSLSA-N 1 3 308.432 4.065 20 0 DIADHO C[C@@H](CCCC(F)(F)F)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000480167648 1048070228 /nfs/dbraw/zinc/07/02/28/1048070228.db2.gz JNCLUFCJSNFGJP-AWEZNQCLSA-N 1 3 320.443 4.494 20 0 DIADHO Cc1nc(-n2cc(C(C)(C)C[NH3+])c3ccccc32)cc2[nH]ccc21 ZINC001160844913 1048089882 /nfs/dbraw/zinc/08/98/82/1048089882.db2.gz BSWFRVREEICQHN-UHFFFAOYSA-N 1 3 318.424 4.052 20 0 DIADHO CC(C)Oc1ccccc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000925485491 1048161906 /nfs/dbraw/zinc/16/19/06/1048161906.db2.gz NQAZSEMCTZDRJU-LJQANCHMSA-N 1 3 312.457 4.044 20 0 DIADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cc(F)ccc1F ZINC000480608632 1048191791 /nfs/dbraw/zinc/19/17/91/1048191791.db2.gz KKOGQSXTHKIIFC-GJZGRUSLSA-N 1 3 310.432 4.128 20 0 DIADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cc(F)ccc1F ZINC000480608632 1048191797 /nfs/dbraw/zinc/19/17/97/1048191797.db2.gz KKOGQSXTHKIIFC-GJZGRUSLSA-N 1 3 310.432 4.128 20 0 DIADHO c1ccc(CN2CC3(C2)CC[NH+](CC2CCCCC2)CC3)cc1 ZINC001201400414 1048250719 /nfs/dbraw/zinc/25/07/19/1048250719.db2.gz QDKJVSDJNJAYRS-UHFFFAOYSA-N 1 3 312.501 4.165 20 0 DIADHO CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(CC(C)(C)C)C[C@@H]21 ZINC001201440594 1048275290 /nfs/dbraw/zinc/27/52/90/1048275290.db2.gz VVZNHPBBGZFVHT-FHWLQOOXSA-N 1 3 300.490 4.143 20 0 DIADHO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(CC(C)(C)C)C[C@@H]21 ZINC001201440594 1048275302 /nfs/dbraw/zinc/27/53/02/1048275302.db2.gz VVZNHPBBGZFVHT-FHWLQOOXSA-N 1 3 300.490 4.143 20 0 DIADHO CC(C)(C)C(=N)Nc1nccc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001162662304 1048331736 /nfs/dbraw/zinc/33/17/36/1048331736.db2.gz SNVKJIBTFMAVBI-UHFFFAOYSA-N 1 3 322.456 4.075 20 0 DIADHO CC(C)(C)C(=N)Nc1nccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001162662304 1048331748 /nfs/dbraw/zinc/33/17/48/1048331748.db2.gz SNVKJIBTFMAVBI-UHFFFAOYSA-N 1 3 322.456 4.075 20 0 DIADHO CCCCCN1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001201737357 1048359911 /nfs/dbraw/zinc/35/99/11/1048359911.db2.gz KEXGJFPPGCBZJU-UHFFFAOYSA-N 1 3 308.897 4.426 20 0 DIADHO CCCCCN1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001201737357 1048359924 /nfs/dbraw/zinc/35/99/24/1048359924.db2.gz KEXGJFPPGCBZJU-UHFFFAOYSA-N 1 3 308.897 4.426 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@H](CCC(C)C)c2ccc(OC)cc2)C1 ZINC000481301214 1048362685 /nfs/dbraw/zinc/36/26/85/1048362685.db2.gz XZTDOXZKAZAIQU-FXAWDEMLSA-N 1 3 318.505 4.104 20 0 DIADHO CC[N@@H+]1CC[C@@H](CN[C@H](CCC(C)C)c2ccc(OC)cc2)C1 ZINC000481301214 1048362702 /nfs/dbraw/zinc/36/27/02/1048362702.db2.gz XZTDOXZKAZAIQU-FXAWDEMLSA-N 1 3 318.505 4.104 20 0 DIADHO CC[N@H+]1CC[C@@H](CN[C@H](CCC(C)C)c2ccc(OC)cc2)C1 ZINC000481301214 1048362715 /nfs/dbraw/zinc/36/27/15/1048362715.db2.gz XZTDOXZKAZAIQU-FXAWDEMLSA-N 1 3 318.505 4.104 20 0 DIADHO CCCCCCN1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001201754121 1048367704 /nfs/dbraw/zinc/36/77/04/1048367704.db2.gz MVWBKWJPTPXGDX-UHFFFAOYSA-N 1 3 300.490 4.089 20 0 DIADHO CCCCCCN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001201754121 1048367714 /nfs/dbraw/zinc/36/77/14/1048367714.db2.gz MVWBKWJPTPXGDX-UHFFFAOYSA-N 1 3 300.490 4.089 20 0 DIADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC001206680606 1048402548 /nfs/dbraw/zinc/40/25/48/1048402548.db2.gz NZYWOWLYDASBLU-MSOLQXFVSA-N 1 3 302.506 4.064 20 0 DIADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000156339280 1048539508 /nfs/dbraw/zinc/53/95/08/1048539508.db2.gz HLOHSEMAXZYOAW-HNNXBMFYSA-N 1 3 320.908 4.268 20 0 DIADHO CC(C)CCOc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000482011509 1048541503 /nfs/dbraw/zinc/54/15/03/1048541503.db2.gz SRQKNWXQSJBBOF-LNLFQRSKSA-N 1 3 318.505 4.245 20 0 DIADHO CC(C)CCOc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000482011509 1048541515 /nfs/dbraw/zinc/54/15/15/1048541515.db2.gz SRQKNWXQSJBBOF-LNLFQRSKSA-N 1 3 318.505 4.245 20 0 DIADHO CC(C)CCOc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000482011508 1048542817 /nfs/dbraw/zinc/54/28/17/1048542817.db2.gz SRQKNWXQSJBBOF-JENIJYKNSA-N 1 3 318.505 4.245 20 0 DIADHO CC(C)CCOc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000482011508 1048542825 /nfs/dbraw/zinc/54/28/25/1048542825.db2.gz SRQKNWXQSJBBOF-JENIJYKNSA-N 1 3 318.505 4.245 20 0 DIADHO CC(C)[NH+]1CCC(NC2CC(F)(c3cccc(Cl)c3)C2)CC1 ZINC000482082197 1048553228 /nfs/dbraw/zinc/55/32/28/1048553228.db2.gz LOLLYVXTAAQQKA-UHFFFAOYSA-N 1 3 324.871 4.130 20 0 DIADHO Cc1ccc(C[C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C2CC2)cc1 ZINC000482321610 1048588275 /nfs/dbraw/zinc/58/82/75/1048588275.db2.gz PTWVKQNZXZQYPW-PZJWPPBQSA-N 1 3 314.517 4.026 20 0 DIADHO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000482352179 1048591975 /nfs/dbraw/zinc/59/19/75/1048591975.db2.gz AIVMOGZNBUIYGH-AZUAARDMSA-N 1 3 320.496 4.103 20 0 DIADHO Cc1ccc([C@H](C)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000482448288 1048609378 /nfs/dbraw/zinc/60/93/78/1048609378.db2.gz FSCJAPCJWSDSRQ-FPOVZHCZSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000482448288 1048609389 /nfs/dbraw/zinc/60/93/89/1048609389.db2.gz FSCJAPCJWSDSRQ-FPOVZHCZSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000482448288 1048609394 /nfs/dbraw/zinc/60/93/94/1048609394.db2.gz FSCJAPCJWSDSRQ-FPOVZHCZSA-N 1 3 322.496 4.210 20 0 DIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)C2CCC2)ccc1OC ZINC000775415762 1048793336 /nfs/dbraw/zinc/79/33/36/1048793336.db2.gz NTOAXUVRXWESLE-JKSUJKDBSA-N 1 3 318.505 4.376 20 0 DIADHO CN1CCC[C@H]2C[N@H+](CCCc3cccc4ccccc43)CC[C@@H]21 ZINC000483494400 1048807784 /nfs/dbraw/zinc/80/77/84/1048807784.db2.gz USAFJNDUOPKTFG-UNMCSNQZSA-N 1 3 322.496 4.189 20 0 DIADHO CN1CCC[C@H]2C[N@@H+](CCCc3cccc4ccccc43)CC[C@@H]21 ZINC000483494400 1048807795 /nfs/dbraw/zinc/80/77/95/1048807795.db2.gz USAFJNDUOPKTFG-UNMCSNQZSA-N 1 3 322.496 4.189 20 0 DIADHO Cc1nc2ccc(NC[C@@H](c3ccccc3)[NH+]3CCCC3)cc2[nH]1 ZINC001166900567 1048810677 /nfs/dbraw/zinc/81/06/77/1048810677.db2.gz LAUGEZYKLKHIDA-FQEVSTJZSA-N 1 3 320.440 4.120 20 0 DIADHO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC[C@H]2CCCN2C)o1 ZINC001191260077 1048900849 /nfs/dbraw/zinc/90/08/49/1048900849.db2.gz ZFSWUDGQLRVLJI-JZXOWHBKSA-N 1 3 304.478 4.099 20 0 DIADHO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC[C@H]2CCCN2C)o1 ZINC001191260077 1048900856 /nfs/dbraw/zinc/90/08/56/1048900856.db2.gz ZFSWUDGQLRVLJI-JZXOWHBKSA-N 1 3 304.478 4.099 20 0 DIADHO Cc1cc(C)cc(CC[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000484160806 1048910606 /nfs/dbraw/zinc/91/06/06/1048910606.db2.gz MRUUIZFFGBNILS-UHFFFAOYSA-N 1 3 314.517 4.233 20 0 DIADHO Cc1cc(C)cc(CCNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000484160806 1048910617 /nfs/dbraw/zinc/91/06/17/1048910617.db2.gz MRUUIZFFGBNILS-UHFFFAOYSA-N 1 3 314.517 4.233 20 0 DIADHO Cc1ccccc1C1CC(N(CC[C@@H]2CCC[N@H+]2C)C2CC2)C1 ZINC001191329830 1048927756 /nfs/dbraw/zinc/92/77/56/1048927756.db2.gz KJGINSLRTKQJPC-FDYSRKEFSA-N 1 3 312.501 4.190 20 0 DIADHO Cc1ccccc1C1CC(N(CC[C@@H]2CCC[N@@H+]2C)C2CC2)C1 ZINC001191329830 1048927770 /nfs/dbraw/zinc/92/77/70/1048927770.db2.gz KJGINSLRTKQJPC-FDYSRKEFSA-N 1 3 312.501 4.190 20 0 DIADHO CSc1ccccc1[C@H](C)NCc1ccc(C[NH+](C)C)cc1 ZINC000194836663 1048932265 /nfs/dbraw/zinc/93/22/65/1048932265.db2.gz XYZXOYDPOWMGGG-HNNXBMFYSA-N 1 3 314.498 4.321 20 0 DIADHO CCC[N@H+](C)C[C@@H]1CCN([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC001191368035 1048936006 /nfs/dbraw/zinc/93/60/06/1048936006.db2.gz WMNSFFYKRAFIED-MOPGFXCFSA-N 1 3 302.506 4.337 20 0 DIADHO CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC001191368035 1048936020 /nfs/dbraw/zinc/93/60/20/1048936020.db2.gz WMNSFFYKRAFIED-MOPGFXCFSA-N 1 3 302.506 4.337 20 0 DIADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000484467470 1048940135 /nfs/dbraw/zinc/94/01/35/1048940135.db2.gz OWALVMZLZIUIQQ-VBNZEHGJSA-N 1 3 314.395 4.229 20 0 DIADHO CSCc1ccc(CN[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC001177822568 1048943431 /nfs/dbraw/zinc/94/34/31/1048943431.db2.gz MKERIWVKUZAARM-QGZVFWFLSA-N 1 3 308.535 4.006 20 0 DIADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]C[C@H]4CC=CCC4)[C@H]3C2)cc1 ZINC001178285412 1049012795 /nfs/dbraw/zinc/01/27/95/1049012795.db2.gz QELSUCHLRVGEFG-JKLQHZFJSA-N 1 3 324.512 4.233 20 0 DIADHO Cc1c2ccccc2sc1[C@@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001178436395 1049031559 /nfs/dbraw/zinc/03/15/59/1049031559.db2.gz HMUJGASCWFEOOG-OAGGEKHMSA-N 1 3 314.498 4.487 20 0 DIADHO Cc1c2ccccc2sc1[C@@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001178436395 1049031572 /nfs/dbraw/zinc/03/15/72/1049031572.db2.gz HMUJGASCWFEOOG-OAGGEKHMSA-N 1 3 314.498 4.487 20 0 DIADHO [NH3+]CCC[C@H](NCc1ccc(C(F)F)c(F)c1)c1ccccc1 ZINC000904358001 1049045807 /nfs/dbraw/zinc/04/58/07/1049045807.db2.gz GDCZVOKNXQZXNW-KRWDZBQOSA-N 1 3 322.374 4.333 20 0 DIADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1C[C@@H]1C1CCCC1 ZINC001204087430 1049082053 /nfs/dbraw/zinc/08/20/53/1049082053.db2.gz BLWUNLFVRBMWCV-YLJYHZDGSA-N 1 3 304.522 4.199 20 0 DIADHO Cc1ccc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)cc1 ZINC001204174246 1049105279 /nfs/dbraw/zinc/10/52/79/1049105279.db2.gz LYJSXBALMOHVPF-UHFFFAOYSA-N 1 3 320.480 4.093 20 0 DIADHO CC[C@@H]1CCC[C@H](N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC001179637148 1049190580 /nfs/dbraw/zinc/19/05/80/1049190580.db2.gz UFLDWONOQPLKHF-NEWSRXKRSA-N 1 3 303.494 4.023 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@@H]3CC[C@H]4C[N@@H+](C)C[C@H]43)c2)cc1 ZINC001179815311 1049211903 /nfs/dbraw/zinc/21/19/03/1049211903.db2.gz FXQWNFBTOPEUNU-BHDDXSALSA-N 1 3 320.480 4.092 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@@H]3CC[C@H]4C[N@H+](C)C[C@H]43)c2)cc1 ZINC001179815311 1049211917 /nfs/dbraw/zinc/21/19/17/1049211917.db2.gz FXQWNFBTOPEUNU-BHDDXSALSA-N 1 3 320.480 4.092 20 0 DIADHO Cc1ccc(-c2cccc(C[NH2+][C@@H]3CC[C@H]4CN(C)C[C@H]43)c2)cc1 ZINC001179815311 1049211931 /nfs/dbraw/zinc/21/19/31/1049211931.db2.gz FXQWNFBTOPEUNU-BHDDXSALSA-N 1 3 320.480 4.092 20 0 DIADHO C[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1csc2ccccc12 ZINC000858128158 1049220450 /nfs/dbraw/zinc/22/04/50/1049220450.db2.gz CIRVMHXBTNFFBV-KBPBESRZSA-N 1 3 302.487 4.425 20 0 DIADHO C[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1csc2ccccc12 ZINC000858128158 1049220456 /nfs/dbraw/zinc/22/04/56/1049220456.db2.gz CIRVMHXBTNFFBV-KBPBESRZSA-N 1 3 302.487 4.425 20 0 DIADHO CN1CCC[C@@H]2C[N@@H+](C3c4ccccc4-c4ccccc43)CC[C@@H]21 ZINC000485335776 1049222695 /nfs/dbraw/zinc/22/26/95/1049222695.db2.gz GQCAAPFTYMNWOC-IERDGZPVSA-N 1 3 318.464 4.173 20 0 DIADHO CN1CCC[C@@H]2C[N@H+](C3c4ccccc4-c4ccccc43)CC[C@@H]21 ZINC000485335776 1049222711 /nfs/dbraw/zinc/22/27/11/1049222711.db2.gz GQCAAPFTYMNWOC-IERDGZPVSA-N 1 3 318.464 4.173 20 0 DIADHO C[C@@H](CC1CCCCC1)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001179878331 1049225083 /nfs/dbraw/zinc/22/50/83/1049225083.db2.gz OIVJZOHLSATOHT-AZUAARDMSA-N 1 3 306.538 4.401 20 0 DIADHO C[C@@H](CC1CCCCC1)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001179878331 1049225094 /nfs/dbraw/zinc/22/50/94/1049225094.db2.gz OIVJZOHLSATOHT-AZUAARDMSA-N 1 3 306.538 4.401 20 0 DIADHO CN(C)Cc1ccccc1Nc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC001204700531 1049231644 /nfs/dbraw/zinc/23/16/44/1049231644.db2.gz UNALBLIHCNYGRR-UHFFFAOYSA-N 1 3 311.473 4.380 20 0 DIADHO CN1CCc2ccc(Nc3ccc(C[NH2+]C(C)(C)C)cc3)cc2C1 ZINC001204706460 1049233655 /nfs/dbraw/zinc/23/36/55/1049233655.db2.gz VVJZLMCBZJQBOI-UHFFFAOYSA-N 1 3 323.484 4.306 20 0 DIADHO [NH3+]CCCCCN1CCC(c2c(Cl)cccc2Cl)CC1 ZINC001204848794 1049284198 /nfs/dbraw/zinc/28/41/98/1049284198.db2.gz UIYMFWQLYSZLEG-UHFFFAOYSA-N 1 3 315.288 4.302 20 0 DIADHO [NH3+][C@@H]1CCCN(Cc2ccc(/C=C/c3ccccc3)cc2)CC1 ZINC001205109064 1049379679 /nfs/dbraw/zinc/37/96/79/1049379679.db2.gz ADMMVQDGOINCEY-MHNQQFQPSA-N 1 3 306.453 4.170 20 0 DIADHO Cc1ccccc1N(C)c1ccc(CN2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205117150 1049383846 /nfs/dbraw/zinc/38/38/46/1049383846.db2.gz LYGADLIBARGQFT-LJQANCHMSA-N 1 3 323.484 4.076 20 0 DIADHO CC[C@H](Cc1cccs1)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC001180795320 1049404863 /nfs/dbraw/zinc/40/48/63/1049404863.db2.gz VAOFBKHSIWGBLT-GVDBMIGSSA-N 1 3 320.546 4.312 20 0 DIADHO Cc1ccc(-c2ccccc2CN2CC[C@H](C[NH+](C)C)C2)c(C)c1 ZINC001180792797 1049405328 /nfs/dbraw/zinc/40/53/28/1049405328.db2.gz DWHWOPGHHWYPOG-LJQANCHMSA-N 1 3 322.496 4.354 20 0 DIADHO Cc1ccc(C2CC([NH2+]CC[C@@H](C)N3CCCCC3)C2)cc1 ZINC001180812458 1049410440 /nfs/dbraw/zinc/41/04/40/1049410440.db2.gz ZZCYARBPRYIDBM-QHGAOEGBSA-N 1 3 300.490 4.095 20 0 DIADHO C[C@@]1([NH3+])CCCN(Cc2ccc(-c3ccccc3)s2)CC1 ZINC001205274311 1049423438 /nfs/dbraw/zinc/42/34/38/1049423438.db2.gz VFIGZRYJXOLDJW-GOSISDBHSA-N 1 3 300.471 4.118 20 0 DIADHO C[C@]1([NH3+])CCCN(Cc2ccc3oc4ccccc4c3c2)CC1 ZINC001205273282 1049423535 /nfs/dbraw/zinc/42/35/35/1049423535.db2.gz JLWVQCYQPUCCCX-FQEVSTJZSA-N 1 3 308.425 4.289 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)[C@H]1CCCN(C2CCC2)C1 ZINC001205385831 1049455965 /nfs/dbraw/zinc/45/59/65/1049455965.db2.gz RRTLIPQRFTWZPZ-DSLXNQLJSA-N 1 3 304.522 4.198 20 0 DIADHO CC(C)c1ccc(CC[NH2+]CC[C@@H](C)N2CCCCC2)cc1 ZINC001205391812 1049459250 /nfs/dbraw/zinc/45/92/50/1049459250.db2.gz UABYNWKRGJSBSD-GOSISDBHSA-N 1 3 302.506 4.207 20 0 DIADHO CN1CCC2(CCC[N@@H+]2Cc2cccc(C3CCCC3)c2)CC1 ZINC001205411775 1049464289 /nfs/dbraw/zinc/46/42/89/1049464289.db2.gz OAIKJFDWYYFQOD-UHFFFAOYSA-N 1 3 312.501 4.404 20 0 DIADHO CN1CCC2(CCC[N@H+]2Cc2cccc(C3CCCC3)c2)CC1 ZINC001205411775 1049464296 /nfs/dbraw/zinc/46/42/96/1049464296.db2.gz OAIKJFDWYYFQOD-UHFFFAOYSA-N 1 3 312.501 4.404 20 0 DIADHO C[C@@H](Cc1coc2ccccc12)[NH2+]CC(C)(C)CN1CCCC1 ZINC001181426980 1049473216 /nfs/dbraw/zinc/47/32/16/1049473216.db2.gz IBZKFGKFZCHUFX-INIZCTEOSA-N 1 3 314.473 4.075 20 0 DIADHO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC001181427859 1049473716 /nfs/dbraw/zinc/47/37/16/1049473716.db2.gz PEWNEWJRIVFUQG-GOSISDBHSA-N 1 3 322.924 4.373 20 0 DIADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc2oc3ccccc3c2c1 ZINC001205703140 1049538868 /nfs/dbraw/zinc/53/88/68/1049538868.db2.gz WTCWQDQUDHBVHY-DNVCBOLYSA-N 1 3 322.452 4.358 20 0 DIADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc2oc3ccccc3c2c1 ZINC001205703140 1049538884 /nfs/dbraw/zinc/53/88/84/1049538884.db2.gz WTCWQDQUDHBVHY-DNVCBOLYSA-N 1 3 322.452 4.358 20 0 DIADHO Cc1ccc(Cl)c(CN2CCC[C@@H](C[NH3+])[C@H](C)C2)c1Cl ZINC001206027319 1049631872 /nfs/dbraw/zinc/63/18/72/1049631872.db2.gz WDQQWDHGKGDYIU-OLZOCXBDSA-N 1 3 315.288 4.109 20 0 DIADHO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000864049272 1049638078 /nfs/dbraw/zinc/63/80/78/1049638078.db2.gz CYXXXGSHERKCEL-YOEHRIQHSA-N 1 3 318.530 4.042 20 0 DIADHO CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000864049272 1049638084 /nfs/dbraw/zinc/63/80/84/1049638084.db2.gz CYXXXGSHERKCEL-YOEHRIQHSA-N 1 3 318.530 4.042 20 0 DIADHO CC(C)Oc1ccc(Cl)cc1CN1CCC[C@](C)(C[NH3+])CC1 ZINC001206304352 1049705517 /nfs/dbraw/zinc/70/55/17/1049705517.db2.gz JCSLHFBPPCHROL-SFHVURJKSA-N 1 3 324.896 4.078 20 0 DIADHO CCc1ccccc1CN1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001196935685 1049706270 /nfs/dbraw/zinc/70/62/70/1049706270.db2.gz KVQAQODZNLYEAA-OAQYLSRUSA-N 1 3 314.517 4.335 20 0 DIADHO CCc1ccccc1C[N@@H+]1CCC[C@@H]1CCN1CCC(C)CC1 ZINC001196935685 1049706278 /nfs/dbraw/zinc/70/62/78/1049706278.db2.gz KVQAQODZNLYEAA-OAQYLSRUSA-N 1 3 314.517 4.335 20 0 DIADHO CCc1ccccc1C[N@H+]1CCC[C@@H]1CCN1CCC(C)CC1 ZINC001196935685 1049706291 /nfs/dbraw/zinc/70/62/91/1049706291.db2.gz KVQAQODZNLYEAA-OAQYLSRUSA-N 1 3 314.517 4.335 20 0 DIADHO C[C@@]1(C[NH3+])CCCCN(Cc2ccc(-c3ccccc3)s2)C1 ZINC001206556901 1049755928 /nfs/dbraw/zinc/75/59/28/1049755928.db2.gz ZLQOGQQKOWVCTI-IBGZPJMESA-N 1 3 314.498 4.366 20 0 DIADHO CC(C)N(Cc1cc2c(cccc2Cl)[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC001206579922 1049760204 /nfs/dbraw/zinc/76/02/04/1049760204.db2.gz AZKZPLCJYUZANF-OAHLLOKOSA-N 1 3 319.880 4.174 20 0 DIADHO CC(C)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206581490 1049761776 /nfs/dbraw/zinc/76/17/76/1049761776.db2.gz JLOYCAUAZBZKJW-MRXNPFEDSA-N 1 3 314.395 4.058 20 0 DIADHO CC(C)N(Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC001206583835 1049762610 /nfs/dbraw/zinc/76/26/10/1049762610.db2.gz XDEXIJSLKDLSRX-MRXNPFEDSA-N 1 3 314.395 4.058 20 0 DIADHO CC(C)N(Cc1cc2ccc(Cl)cc2[nH]1)[C@H]1CCC[NH2+]CC1 ZINC001206599114 1049766157 /nfs/dbraw/zinc/76/61/57/1049766157.db2.gz NYUVRTZAZMZLRH-KRWDZBQOSA-N 1 3 319.880 4.174 20 0 DIADHO CC(C)CCN1CCC([NH2+]CC(C2CCC2)C2CCC2)CC1 ZINC001206776500 1049797904 /nfs/dbraw/zinc/79/79/04/1049797904.db2.gz BUNFDMDVQAQOIF-UHFFFAOYSA-N 1 3 306.538 4.303 20 0 DIADHO Cc1cc(Oc2ccccc2)ccc1CN1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206808150 1049804866 /nfs/dbraw/zinc/80/48/66/1049804866.db2.gz JVUSKSYXGIKUBY-ROUUACIJSA-N 1 3 324.468 4.347 20 0 DIADHO CCCN1CC[C@@H](C[NH2+][C@@H](CSc2ccccc2)C(C)C)C1 ZINC000490171208 1049807864 /nfs/dbraw/zinc/80/78/64/1049807864.db2.gz AQBSDVDPTLWIGL-HKUYNNGSSA-N 1 3 320.546 4.125 20 0 DIADHO Clc1ccc([C@@H]2CCC[N@@H+]2C2CCN(CC3CC3)CC2)cc1 ZINC001168379115 1049936568 /nfs/dbraw/zinc/93/65/68/1049936568.db2.gz DRHIGGRZRVHGTP-IBGZPJMESA-N 1 3 318.892 4.351 20 0 DIADHO Clc1ccc([C@@H]2CCC[N@H+]2C2CCN(CC3CC3)CC2)cc1 ZINC001168379115 1049936580 /nfs/dbraw/zinc/93/65/80/1049936580.db2.gz DRHIGGRZRVHGTP-IBGZPJMESA-N 1 3 318.892 4.351 20 0 DIADHO C[C@@H](C[N@@H+]1CCCC[C@@H]1CCN1CCCC1)c1ccccc1 ZINC001207907760 1049952175 /nfs/dbraw/zinc/95/21/75/1049952175.db2.gz XPJZAOKEIDQFGN-AZUAARDMSA-N 1 3 300.490 4.131 20 0 DIADHO C[C@@H](C[N@H+]1CCCC[C@@H]1CCN1CCCC1)c1ccccc1 ZINC001207907760 1049952189 /nfs/dbraw/zinc/95/21/89/1049952189.db2.gz XPJZAOKEIDQFGN-AZUAARDMSA-N 1 3 300.490 4.131 20 0 DIADHO Cc1ccc([C@@H](C)CCN2CCCC[C@H]2CC[NH+]2CCCC2)o1 ZINC001208155754 1049979122 /nfs/dbraw/zinc/97/91/22/1049979122.db2.gz OKMYHZPEKBZLMO-HKUYNNGSSA-N 1 3 318.505 4.422 20 0 DIADHO Cc1ccc([C@@H](C)CC[N@@H+]2CCCC[C@H]2CCN2CCCC2)o1 ZINC001208155754 1049979126 /nfs/dbraw/zinc/97/91/26/1049979126.db2.gz OKMYHZPEKBZLMO-HKUYNNGSSA-N 1 3 318.505 4.422 20 0 DIADHO Cc1ccc([C@@H](C)CC[N@H+]2CCCC[C@H]2CCN2CCCC2)o1 ZINC001208155754 1049979130 /nfs/dbraw/zinc/97/91/30/1049979130.db2.gz OKMYHZPEKBZLMO-HKUYNNGSSA-N 1 3 318.505 4.422 20 0 DIADHO CCN(C)C1CC[NH+](CC[C@@H](C)CCCC(C)(C)OC)CC1 ZINC001208214598 1049986800 /nfs/dbraw/zinc/98/68/00/1049986800.db2.gz UYJIVCURSXEGDK-KRWDZBQOSA-N 1 3 312.542 4.024 20 0 DIADHO CC/C=C\CC[NH+]1CCC(N(CC)Cc2ccccc2)CC1 ZINC001208729062 1050006592 /nfs/dbraw/zinc/00/65/92/1050006592.db2.gz ISRYYUSPZFOBOZ-WAYWQWQTSA-N 1 3 300.490 4.329 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCc1ccc(Cl)cc1 ZINC001208742381 1050008165 /nfs/dbraw/zinc/00/81/65/1050008165.db2.gz QDJGBFYGQLAAIM-RBUKOAKNSA-N 1 3 320.908 4.221 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCc1ccc(Cl)cc1 ZINC001208742381 1050008171 /nfs/dbraw/zinc/00/81/71/1050008171.db2.gz QDJGBFYGQLAAIM-RBUKOAKNSA-N 1 3 320.908 4.221 20 0 DIADHO Cc1cccc(CN(C)C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001208934332 1050024443 /nfs/dbraw/zinc/02/44/43/1050024443.db2.gz ZXXHDFYLJWRBAF-QFIPXVFZSA-N 1 3 322.496 4.339 20 0 DIADHO Cc1cccc(CN(C)C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001208934332 1050024449 /nfs/dbraw/zinc/02/44/49/1050024449.db2.gz ZXXHDFYLJWRBAF-QFIPXVFZSA-N 1 3 322.496 4.339 20 0 DIADHO c1ccc(CN2CCC[C@H](C[N@@H+]3CCC[C@@H]4CCC[C@H]43)C2)cc1 ZINC001208939920 1050027021 /nfs/dbraw/zinc/02/70/21/1050027021.db2.gz LHPPAQALTNZKKE-PCCBWWKXSA-N 1 3 312.501 4.163 20 0 DIADHO c1ccc(CN2CCC[C@H](C[N@H+]3CCC[C@@H]4CCC[C@H]43)C2)cc1 ZINC001208939920 1050027025 /nfs/dbraw/zinc/02/70/25/1050027025.db2.gz LHPPAQALTNZKKE-PCCBWWKXSA-N 1 3 312.501 4.163 20 0 DIADHO c1ccc(CN2CC[C@@H](C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)C2)cc1 ZINC001208952147 1050030075 /nfs/dbraw/zinc/03/00/75/1050030075.db2.gz DAEIYJURFZIXDV-NJYVYQBISA-N 1 3 312.501 4.163 20 0 DIADHO c1ccc(CN2CC[C@@H](C[N@H+]3CCC[C@H]4CCCC[C@@H]43)C2)cc1 ZINC001208952147 1050030080 /nfs/dbraw/zinc/03/00/80/1050030080.db2.gz DAEIYJURFZIXDV-NJYVYQBISA-N 1 3 312.501 4.163 20 0 DIADHO CC[NH+](CC)Cc1ccc(Nc2ccc3c(c2)CN(C)CC3)cc1 ZINC001209827013 1050090970 /nfs/dbraw/zinc/09/09/70/1050090970.db2.gz VBFDKRVQGHBMAN-UHFFFAOYSA-N 1 3 323.484 4.260 20 0 DIADHO C[C@@H]1CC[N@H+](Cc2cccc3c4ccccc4sc32)CCN1 ZINC001210496376 1050268187 /nfs/dbraw/zinc/26/81/87/1050268187.db2.gz GWPFAXZDOGXSSF-CQSZACIVSA-N 1 3 310.466 4.238 20 0 DIADHO C[C@@H]1CC[N@@H+](Cc2cccc3c4ccccc4sc32)CCN1 ZINC001210496376 1050268201 /nfs/dbraw/zinc/26/82/01/1050268201.db2.gz GWPFAXZDOGXSSF-CQSZACIVSA-N 1 3 310.466 4.238 20 0 DIADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171096622 1050337971 /nfs/dbraw/zinc/33/79/71/1050337971.db2.gz UPUICNGJKDXDMN-HNAYVOBHSA-N 1 3 320.908 4.051 20 0 DIADHO CCCCCC[C@@H](CCCC)[N@@H+]1CCC(F)(F)[C@@H](CN)C1 ZINC001246558058 1050546815 /nfs/dbraw/zinc/54/68/15/1050546815.db2.gz NXGKWRPTDGFBBG-JKSUJKDBSA-N 1 3 304.469 4.432 20 0 DIADHO CCCCCC[C@@H](CCCC)[N@H+]1CCC(F)(F)[C@@H](CN)C1 ZINC001246558058 1050546825 /nfs/dbraw/zinc/54/68/25/1050546825.db2.gz NXGKWRPTDGFBBG-JKSUJKDBSA-N 1 3 304.469 4.432 20 0 DIADHO CCCCCC[C@@H](CCCC)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246558058 1050546835 /nfs/dbraw/zinc/54/68/35/1050546835.db2.gz NXGKWRPTDGFBBG-JKSUJKDBSA-N 1 3 304.469 4.432 20 0 DIADHO CC(C)CCC[C@@H](C)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001170071075 1050581872 /nfs/dbraw/zinc/58/18/72/1050581872.db2.gz JIWOZWPACATOLE-GOSISDBHSA-N 1 3 317.521 4.098 20 0 DIADHO COc1cccc(C2([NH3+])CCN([C@@H](C)CCCC(C)C)CC2)c1 ZINC001170071455 1050583920 /nfs/dbraw/zinc/58/39/20/1050583920.db2.gz OQJXLDUEGFRNQG-KRWDZBQOSA-N 1 3 318.505 4.160 20 0 DIADHO CC(C)CCC[C@@H](C)N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001170071816 1050592568 /nfs/dbraw/zinc/59/25/68/1050592568.db2.gz VWONKUCHGYAUDQ-QGZVFWFLSA-N 1 3 320.496 4.376 20 0 DIADHO C[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001170117881 1050881789 /nfs/dbraw/zinc/88/17/89/1050881789.db2.gz OLRWWXGYOUZQSO-HNAYVOBHSA-N 1 3 320.908 4.330 20 0 DIADHO CC[N@@H+](C/C=C\Cl)CCCC1CCN(C/C=C\Cl)CC1 ZINC000766284722 1050918616 /nfs/dbraw/zinc/91/86/16/1050918616.db2.gz SKLNZGFTXVLOER-AVWDGMTFSA-N 1 3 319.320 4.306 20 0 DIADHO CC[N@H+](C/C=C\Cl)CCCC1CCN(C/C=C\Cl)CC1 ZINC000766284722 1050918621 /nfs/dbraw/zinc/91/86/21/1050918621.db2.gz SKLNZGFTXVLOER-AVWDGMTFSA-N 1 3 319.320 4.306 20 0 DIADHO CC[N@H+](Cc1ccccc1)C1CCN([C@H]2CC[C@H](C)C2)CC1 ZINC001170151632 1051036916 /nfs/dbraw/zinc/03/69/16/1051036916.db2.gz HUXVJLOMVQSCPV-PXNSSMCTSA-N 1 3 300.490 4.162 20 0 DIADHO CC[N@@H+](Cc1ccccc1)C1CCN([C@H]2CC[C@H](C)C2)CC1 ZINC001170151632 1051036920 /nfs/dbraw/zinc/03/69/20/1051036920.db2.gz HUXVJLOMVQSCPV-PXNSSMCTSA-N 1 3 300.490 4.162 20 0 DIADHO Cc1cccc2c1CC[C@@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171556793 1051165265 /nfs/dbraw/zinc/16/52/65/1051165265.db2.gz NGSYRZHFCDKXGW-QGZVFWFLSA-N 1 3 314.517 4.093 20 0 DIADHO C[C@H]1C[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)Cc2ccccc21 ZINC001171631608 1051174441 /nfs/dbraw/zinc/17/44/41/1051174441.db2.gz KZJQKUGMLFWAJH-HNNXBMFYSA-N 1 3 300.490 4.257 20 0 DIADHO C[C@H]1C[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)Cc2ccccc21 ZINC001171631608 1051174449 /nfs/dbraw/zinc/17/44/49/1051174449.db2.gz KZJQKUGMLFWAJH-HNNXBMFYSA-N 1 3 300.490 4.257 20 0 DIADHO CC(C)CC1(C[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CCOCC1 ZINC001171630643 1051175278 /nfs/dbraw/zinc/17/52/78/1051175278.db2.gz RBTBTLOKSCPWIV-UHFFFAOYSA-N 1 3 324.553 4.070 20 0 DIADHO CN1C(C)(C)CC([NH2+]C[C@H]2CCc3ccccc3C2)CC1(C)C ZINC001171627637 1051182035 /nfs/dbraw/zinc/18/20/35/1051182035.db2.gz YZGQVCHXMSDPBA-INIZCTEOSA-N 1 3 314.517 4.033 20 0 DIADHO CN1C(C)(C)CC([NH2+]C(C)(C)Cc2cccc(F)c2)CC1(C)C ZINC001171627572 1051182087 /nfs/dbraw/zinc/18/20/87/1051182087.db2.gz XCXFIGNNHFCFJD-UHFFFAOYSA-N 1 3 320.496 4.388 20 0 DIADHO CN1C(C)(C)CC([N@@H+]2CC[C@H](c3cccc(F)c3)C2)CC1(C)C ZINC001171639440 1051195482 /nfs/dbraw/zinc/19/54/82/1051195482.db2.gz JXIOXOFQOVYYPT-INIZCTEOSA-N 1 3 318.480 4.266 20 0 DIADHO CN1C(C)(C)CC([N@H+]2CC[C@H](c3cccc(F)c3)C2)CC1(C)C ZINC001171639440 1051195487 /nfs/dbraw/zinc/19/54/87/1051195487.db2.gz JXIOXOFQOVYYPT-INIZCTEOSA-N 1 3 318.480 4.266 20 0 DIADHO CC[N@H+](Cc1ccc(OC)cc1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171642824 1051197537 /nfs/dbraw/zinc/19/75/37/1051197537.db2.gz NULLNDJNTYAIHK-UHFFFAOYSA-N 1 3 318.505 4.169 20 0 DIADHO CC[N@@H+](Cc1ccc(OC)cc1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171642824 1051197545 /nfs/dbraw/zinc/19/75/45/1051197545.db2.gz NULLNDJNTYAIHK-UHFFFAOYSA-N 1 3 318.505 4.169 20 0 DIADHO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1)c1cccnc1 ZINC001171966021 1051248880 /nfs/dbraw/zinc/24/88/80/1051248880.db2.gz SDYBQQRGWBKNDR-PXNSSMCTSA-N 1 3 323.484 4.175 20 0 DIADHO CC1(C)C[C@@H](N2CC3(C2)CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC001171981368 1051269171 /nfs/dbraw/zinc/26/91/71/1051269171.db2.gz KZNGQXZSOHXZCC-IBGZPJMESA-N 1 3 312.501 4.306 20 0 DIADHO CC1(C)C[C@@H](N2CC3(C2)CCCC3)CC[N@H+]1Cc1ccccc1 ZINC001171981368 1051269172 /nfs/dbraw/zinc/26/91/72/1051269172.db2.gz KZNGQXZSOHXZCC-IBGZPJMESA-N 1 3 312.501 4.306 20 0 DIADHO C[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)CCCC2 ZINC001172100254 1051284397 /nfs/dbraw/zinc/28/43/97/1051284397.db2.gz CBRPBKQNKPAJLX-DOVSJBTNSA-N 1 3 312.501 4.231 20 0 DIADHO C[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)CCCC2 ZINC001172100254 1051284411 /nfs/dbraw/zinc/28/44/11/1051284411.db2.gz CBRPBKQNKPAJLX-DOVSJBTNSA-N 1 3 312.501 4.231 20 0 DIADHO CN(Cc1ccc2ccccc2c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127686 1051287425 /nfs/dbraw/zinc/28/74/25/1051287425.db2.gz JJMPXOSERSOITO-AERCQKQUSA-N 1 3 308.469 4.287 20 0 DIADHO CN(Cc1ccc2ccccc2c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127686 1051287436 /nfs/dbraw/zinc/28/74/36/1051287436.db2.gz JJMPXOSERSOITO-AERCQKQUSA-N 1 3 308.469 4.287 20 0 DIADHO CCC[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC001172111151 1051299313 /nfs/dbraw/zinc/29/93/13/1051299313.db2.gz QKRZEFKLZPIEJJ-FCGDIQPGSA-N 1 3 304.453 4.272 20 0 DIADHO CCC[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001172111151 1051299322 /nfs/dbraw/zinc/29/93/22/1051299322.db2.gz QKRZEFKLZPIEJJ-FCGDIQPGSA-N 1 3 304.453 4.272 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](CC1CC1)c1ccc(F)cc1)C2 ZINC001172110194 1051299371 /nfs/dbraw/zinc/29/93/71/1051299371.db2.gz IUDFMLPMZZCHMU-YRPNKDGESA-N 1 3 316.464 4.272 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](CC1CC1)c1ccc(F)cc1)C2 ZINC001172110194 1051299384 /nfs/dbraw/zinc/29/93/84/1051299384.db2.gz IUDFMLPMZZCHMU-YRPNKDGESA-N 1 3 316.464 4.272 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](CC1CC1)c1ccc(F)cc1)C2 ZINC001172110192 1051300771 /nfs/dbraw/zinc/30/07/71/1051300771.db2.gz IUDFMLPMZZCHMU-HAGHYFMRSA-N 1 3 316.464 4.272 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](CC1CC1)c1ccc(F)cc1)C2 ZINC001172110192 1051300781 /nfs/dbraw/zinc/30/07/81/1051300781.db2.gz IUDFMLPMZZCHMU-HAGHYFMRSA-N 1 3 316.464 4.272 20 0 DIADHO CSc1ccc([C@H](C)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172110642 1051301293 /nfs/dbraw/zinc/30/12/93/1051301293.db2.gz PQVKARYYJVRJDL-LLLHUVSDSA-N 1 3 304.503 4.074 20 0 DIADHO CSc1ccc([C@H](C)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172110642 1051301308 /nfs/dbraw/zinc/30/13/08/1051301308.db2.gz PQVKARYYJVRJDL-LLLHUVSDSA-N 1 3 304.503 4.074 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCC[C@H]1c1ccccc1F)C2 ZINC001172121783 1051304052 /nfs/dbraw/zinc/30/40/52/1051304052.db2.gz MLIBZZVJJLZRRQ-XLSPSMHOSA-N 1 3 316.464 4.368 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCC[C@H]1c1ccccc1F)C2 ZINC001172121783 1051304060 /nfs/dbraw/zinc/30/40/60/1051304060.db2.gz MLIBZZVJJLZRRQ-XLSPSMHOSA-N 1 3 316.464 4.368 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1c1cc(F)ccc1F)C2 ZINC001172124356 1051304699 /nfs/dbraw/zinc/30/46/99/1051304699.db2.gz KTNJFEUGUWBKEK-YYAJDYIMSA-N 1 3 320.427 4.117 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1c1cc(F)ccc1F)C2 ZINC001172124356 1051304705 /nfs/dbraw/zinc/30/47/05/1051304705.db2.gz KTNJFEUGUWBKEK-YYAJDYIMSA-N 1 3 320.427 4.117 20 0 DIADHO CC[C@H](C)OCC[C@@H](C)[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172362238 1051374879 /nfs/dbraw/zinc/37/48/79/1051374879.db2.gz SBIJLVISTICIPK-MSOLQXFVSA-N 1 3 324.553 4.309 20 0 DIADHO CC[C@H](C)OCC[C@@H](C)[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172362238 1051374887 /nfs/dbraw/zinc/37/48/87/1051374887.db2.gz SBIJLVISTICIPK-MSOLQXFVSA-N 1 3 324.553 4.309 20 0 DIADHO CC(C)COCC[C@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001172463832 1051414855 /nfs/dbraw/zinc/41/48/55/1051414855.db2.gz UQNQNMCKAOILDP-SFHVURJKSA-N 1 3 324.553 4.072 20 0 DIADHO NCCC[N@H+]([C@@H]1CC[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC001172547640 1051457197 /nfs/dbraw/zinc/45/71/97/1051457197.db2.gz YBOVFGZDZGHRLR-UYAOXDASSA-N 1 3 300.490 4.306 20 0 DIADHO NCCC[N@@H+]([C@@H]1CC[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC001172547640 1051457204 /nfs/dbraw/zinc/45/72/04/1051457204.db2.gz YBOVFGZDZGHRLR-UYAOXDASSA-N 1 3 300.490 4.306 20 0 DIADHO c1ccc([C@@H]2CCC[C@@H](N3CCC([NH+]4CCCC4)CC3)C2)cc1 ZINC001172547541 1051457478 /nfs/dbraw/zinc/45/74/78/1051457478.db2.gz VMUNGTCDTONIHC-TZIWHRDSSA-N 1 3 312.501 4.273 20 0 DIADHO c1ccc([C@@H]2CCC[C@@H]([NH+]3CCC(N4CCCC4)CC3)C2)cc1 ZINC001172547541 1051457480 /nfs/dbraw/zinc/45/74/80/1051457480.db2.gz VMUNGTCDTONIHC-TZIWHRDSSA-N 1 3 312.501 4.273 20 0 DIADHO NCCC[N@H+]([C@H]1CC[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC001172547638 1051457503 /nfs/dbraw/zinc/45/75/03/1051457503.db2.gz YBOVFGZDZGHRLR-QUCCMNQESA-N 1 3 300.490 4.306 20 0 DIADHO NCCC[N@@H+]([C@H]1CC[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC001172547638 1051457506 /nfs/dbraw/zinc/45/75/06/1051457506.db2.gz YBOVFGZDZGHRLR-QUCCMNQESA-N 1 3 300.490 4.306 20 0 DIADHO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC001169062250 1051501833 /nfs/dbraw/zinc/50/18/33/1051501833.db2.gz ROZZWUKEQZABMG-ZCNNSNEGSA-N 1 3 302.506 4.106 20 0 DIADHO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC001169062248 1051502359 /nfs/dbraw/zinc/50/23/59/1051502359.db2.gz ROZZWUKEQZABMG-VAMGGRTRSA-N 1 3 302.506 4.106 20 0 DIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](Cc1ccccc1)c1ccccc1)C2 ZINC001169081271 1051515720 /nfs/dbraw/zinc/51/57/20/1051515720.db2.gz PNHAHCQELJAGRW-YUMYIRISSA-N 1 3 320.480 4.185 20 0 DIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](Cc1ccccc1)c1ccccc1)C2 ZINC001169081271 1051515727 /nfs/dbraw/zinc/51/57/27/1051515727.db2.gz PNHAHCQELJAGRW-YUMYIRISSA-N 1 3 320.480 4.185 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1Cl)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001172859027 1051544785 /nfs/dbraw/zinc/54/47/85/1051544785.db2.gz QPLYBHOPWDJXMK-XJKSGUPXSA-N 1 3 324.871 4.017 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1Cl)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001172859027 1051544800 /nfs/dbraw/zinc/54/48/00/1051544800.db2.gz QPLYBHOPWDJXMK-XJKSGUPXSA-N 1 3 324.871 4.017 20 0 DIADHO CC[NH+]1CCC(NC(C)(C)c2cccc(C(F)(F)F)c2)CC1 ZINC001169229883 1051557527 /nfs/dbraw/zinc/55/75/27/1051557527.db2.gz JHPYRRKREQLKFQ-UHFFFAOYSA-N 1 3 314.395 4.014 20 0 DIADHO CC[C@@H](NC1CC[NH+](CC)CC1)c1cccc(C(F)(F)F)c1 ZINC001169237890 1051558791 /nfs/dbraw/zinc/55/87/91/1051558791.db2.gz BLXDGOVXZMHYES-MRXNPFEDSA-N 1 3 314.395 4.230 20 0 DIADHO FC1(F)CCC[C@H]1CC[NH+]1CCC(NCc2ccccc2)CC1 ZINC001170469745 1051583169 /nfs/dbraw/zinc/58/31/69/1051583169.db2.gz RCYHDNKPBGHGCB-KRWDZBQOSA-N 1 3 322.443 4.066 20 0 DIADHO CC[NH+](CC)C1CCC(N2CCc3cccc(Cl)c3C2)CC1 ZINC001173112542 1051610632 /nfs/dbraw/zinc/61/06/32/1051610632.db2.gz BZQPPRGACAJTER-UHFFFAOYSA-N 1 3 320.908 4.351 20 0 DIADHO CC[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001173273693 1051670619 /nfs/dbraw/zinc/67/06/19/1051670619.db2.gz OXFJVIKCEXTZKX-QFBILLFUSA-N 1 3 318.480 4.206 20 0 DIADHO CC[C@@H]1CC[C@@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001173293391 1051674997 /nfs/dbraw/zinc/67/49/97/1051674997.db2.gz KUXMFGDGJMDRCN-UYAOXDASSA-N 1 3 312.501 4.163 20 0 DIADHO CC[C@@H]1CC[C@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001173293390 1051675698 /nfs/dbraw/zinc/67/56/98/1051675698.db2.gz KUXMFGDGJMDRCN-QUCCMNQESA-N 1 3 312.501 4.163 20 0 DIADHO CCCN1C[C@@H]2C[NH+]([C@H]3CCCC4(CCCCC4)C3)C[C@H]2C1 ZINC001173348703 1051705409 /nfs/dbraw/zinc/70/54/09/1051705409.db2.gz KRSIAAKNRNRAQG-QRVBRYPASA-N 1 3 304.522 4.153 20 0 DIADHO CC(C)[N@H+](CCCN)[C@@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001173543558 1051738564 /nfs/dbraw/zinc/73/85/64/1051738564.db2.gz MNGYQMSXSHATFX-ZDUSSCGKSA-N 1 3 317.304 4.374 20 0 DIADHO CC(C)[N@@H+](CCCN)[C@@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001173543558 1051738578 /nfs/dbraw/zinc/73/85/78/1051738578.db2.gz MNGYQMSXSHATFX-ZDUSSCGKSA-N 1 3 317.304 4.374 20 0 DIADHO c1ccc(-c2ccccc2CN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000769473512 1052066545 /nfs/dbraw/zinc/06/65/45/1052066545.db2.gz OQLIPRXEAPIZGQ-LJQANCHMSA-N 1 3 320.480 4.271 20 0 DIADHO c1cc2c(s1)CCC[C@@H]2N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250171044 1052221170 /nfs/dbraw/zinc/22/11/70/1052221170.db2.gz LUHQWDLGUKCUOI-DZUCGIPZSA-N 1 3 304.503 4.026 20 0 DIADHO CC1(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCCC1 ZINC000310032185 1052254336 /nfs/dbraw/zinc/25/43/36/1052254336.db2.gz YFGRKMDMZQKGPN-FQEVSTJZSA-N 1 3 314.517 4.459 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001168492425 1052407279 /nfs/dbraw/zinc/40/72/79/1052407279.db2.gz RLPPFISNMUMMIE-FXAWDEMLSA-N 1 3 318.480 4.097 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001168492425 1052407280 /nfs/dbraw/zinc/40/72/80/1052407280.db2.gz RLPPFISNMUMMIE-FXAWDEMLSA-N 1 3 318.480 4.097 20 0 DIADHO Cc1ccccc1C1CC([NH2+]CCCN2CCCC[C@@H]2C)C1 ZINC000237505028 1052441956 /nfs/dbraw/zinc/44/19/56/1052441956.db2.gz RRAMZMHNJVYWJH-VIQWUECVSA-N 1 3 300.490 4.095 20 0 DIADHO Fc1ccc(CN2CCCC3(CCCC[NH2+]C3)CCC2)c(F)c1 ZINC001222109747 1052443793 /nfs/dbraw/zinc/44/37/93/1052443793.db2.gz OQSZMJOMBOZYQF-UHFFFAOYSA-N 1 3 322.443 4.101 20 0 DIADHO Cc1ccccc1C1CC([NH2+]CCCN2CCCC[C@H]2C)C1 ZINC000237674412 1052443955 /nfs/dbraw/zinc/44/39/55/1052443955.db2.gz RRAMZMHNJVYWJH-LMDPOFIKSA-N 1 3 300.490 4.095 20 0 DIADHO CC(C)c1ccc(C[C@H](C)C[N@@H+]2CC[C@@]3(C2)CCCNC3)cc1 ZINC001222141088 1052449316 /nfs/dbraw/zinc/44/93/16/1052449316.db2.gz DPGIIWDYFCBUIJ-RXVVDRJESA-N 1 3 314.517 4.064 20 0 DIADHO CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@@]3(C2)CCCNC3)cc1 ZINC001222141088 1052449319 /nfs/dbraw/zinc/44/93/19/1052449319.db2.gz DPGIIWDYFCBUIJ-RXVVDRJESA-N 1 3 314.517 4.064 20 0 DIADHO CCc1ccc(CN2CCCC[C@]3(CCCC[NH2+]C3)C2)s1 ZINC001222166913 1052454934 /nfs/dbraw/zinc/45/49/34/1052454934.db2.gz FXHMJTBNPUIKKI-SFHVURJKSA-N 1 3 306.519 4.056 20 0 DIADHO C[C@@H](C[N@@H+]1CCC[C@]12CCCNC2)c1cccc2ccccc21 ZINC001222231624 1052464812 /nfs/dbraw/zinc/46/48/12/1052464812.db2.gz OJYMUIRFRWGWPX-UWJYYQICSA-N 1 3 308.469 4.161 20 0 DIADHO C[C@@H](C[N@H+]1CCC[C@]12CCCNC2)c1cccc2ccccc21 ZINC001222231624 1052464818 /nfs/dbraw/zinc/46/48/18/1052464818.db2.gz OJYMUIRFRWGWPX-UWJYYQICSA-N 1 3 308.469 4.161 20 0 DIADHO Cc1c2ccccc2sc1CN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222265610 1052470836 /nfs/dbraw/zinc/47/08/36/1052470836.db2.gz WTKRNWWHBWGXGL-IBGZPJMESA-N 1 3 314.498 4.175 20 0 DIADHO Cc1c2ccccc2sc1CN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222265614 1052471299 /nfs/dbraw/zinc/47/12/99/1052471299.db2.gz WTKRNWWHBWGXGL-LJQANCHMSA-N 1 3 314.498 4.175 20 0 DIADHO C[C@H](Cc1cccc(F)c1)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001168498576 1052475441 /nfs/dbraw/zinc/47/54/41/1052475441.db2.gz URCAVKRXBBBFAU-LSTHTHJFSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001168498576 1052475444 /nfs/dbraw/zinc/47/54/44/1052475444.db2.gz URCAVKRXBBBFAU-LSTHTHJFSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@H](Cc1cccc(F)c1)N1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001168498576 1052475446 /nfs/dbraw/zinc/47/54/46/1052475446.db2.gz URCAVKRXBBBFAU-LSTHTHJFSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@H](Cc1cccc(F)c1)N1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001168498576 1052475449 /nfs/dbraw/zinc/47/54/49/1052475449.db2.gz URCAVKRXBBBFAU-LSTHTHJFSA-N 1 3 318.480 4.096 20 0 DIADHO c1cc(-c2ccccc2)oc1CN1CCC[C@]12CCC[NH2+]CC2 ZINC001222314530 1052479840 /nfs/dbraw/zinc/47/98/40/1052479840.db2.gz HCGHORJEQCMPCV-FQEVSTJZSA-N 1 3 310.441 4.055 20 0 DIADHO CCc1ccccc1CNCc1ccccc1C[NH+](CC)CC ZINC000320207093 1052483462 /nfs/dbraw/zinc/48/34/62/1052483462.db2.gz XBSZPVQMFJXDRO-UHFFFAOYSA-N 1 3 310.485 4.381 20 0 DIADHO CC[N@@H+](C/C=C/Cl)CCCC1CCN(C/C=C\Cl)CC1 ZINC000766284733 1052509747 /nfs/dbraw/zinc/50/97/47/1052509747.db2.gz SKLNZGFTXVLOER-FTBRZUGYSA-N 1 3 319.320 4.306 20 0 DIADHO CC[N@H+](C/C=C/Cl)CCCC1CCN(C/C=C\Cl)CC1 ZINC000766284733 1052509751 /nfs/dbraw/zinc/50/97/51/1052509751.db2.gz SKLNZGFTXVLOER-FTBRZUGYSA-N 1 3 319.320 4.306 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CNCc1csc(C)c1 ZINC000328564199 1052626838 /nfs/dbraw/zinc/62/68/38/1052626838.db2.gz KAXALUGLHWVFCE-UHFFFAOYSA-N 1 3 302.487 4.188 20 0 DIADHO CCC[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000037649062 1052628375 /nfs/dbraw/zinc/62/83/75/1052628375.db2.gz XKWFXHLZDUYONE-KBXCAEBGSA-N 1 3 306.881 4.255 20 0 DIADHO CCC[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000037649062 1052628380 /nfs/dbraw/zinc/62/83/80/1052628380.db2.gz XKWFXHLZDUYONE-KBXCAEBGSA-N 1 3 306.881 4.255 20 0 DIADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)c2cc3c(s2)CCC3)C1 ZINC000125863295 1052656100 /nfs/dbraw/zinc/65/61/00/1052656100.db2.gz UERMLNNJTMUWLX-LSDHHAIUSA-N 1 3 306.519 4.008 20 0 DIADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)c2cc3c(s2)CCC3)C1 ZINC000125863295 1052656106 /nfs/dbraw/zinc/65/61/06/1052656106.db2.gz UERMLNNJTMUWLX-LSDHHAIUSA-N 1 3 306.519 4.008 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2cc3c(s2)CCC3)C1 ZINC000125863295 1052656111 /nfs/dbraw/zinc/65/61/11/1052656111.db2.gz UERMLNNJTMUWLX-LSDHHAIUSA-N 1 3 306.519 4.008 20 0 DIADHO C[C@H](NCC1CC[NH+](C)CC1)c1cc(Cl)sc1Cl ZINC000126266488 1052667767 /nfs/dbraw/zinc/66/77/67/1052667767.db2.gz LKIWUOFSXUGAHI-VIFPVBQESA-N 1 3 307.290 4.047 20 0 DIADHO C[C@H](CN[C@@H](C)c1cc2ccccc2s1)C[NH+]1CCCC1 ZINC000126555259 1052671211 /nfs/dbraw/zinc/67/12/11/1052671211.db2.gz YNIBEUNRQYJPOT-CABCVRRESA-N 1 3 302.487 4.284 20 0 DIADHO CC(C)c1ccc(C[C@H](C)CN2CCC3(CCC[NH2+]3)CC2)cc1 ZINC001226786160 1052930743 /nfs/dbraw/zinc/93/07/43/1052930743.db2.gz WJNDVIWMOQKQFU-SFHVURJKSA-N 1 3 314.517 4.207 20 0 DIADHO CCN1CCC[C@@H](C[NH2+][C@H]2CCSc3c(Cl)cccc32)C1 ZINC001319281840 1053231942 /nfs/dbraw/zinc/23/19/42/1053231942.db2.gz DDQMHIXDXRLPCD-BBRMVZONSA-N 1 3 324.921 4.198 20 0 DIADHO CCN(C[C@H]1CCC[NH2+]C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000262535918 1053576976 /nfs/dbraw/zinc/57/69/76/1053576976.db2.gz QHVHGAUJFNASPZ-KGLIPLIRSA-N 1 3 314.395 4.088 20 0 DIADHO CN(C)[C@@H]1CCC[N@H+](Cc2ccccc2-c2ccccc2)CC1 ZINC000763612889 1053614488 /nfs/dbraw/zinc/61/44/88/1053614488.db2.gz HHQBSKQVYALPIW-HXUWFJFHSA-N 1 3 308.469 4.270 20 0 DIADHO CN(C)[C@@H]1CCC[N@@H+](Cc2ccccc2-c2ccccc2)CC1 ZINC000763612889 1053614501 /nfs/dbraw/zinc/61/45/01/1053614501.db2.gz HHQBSKQVYALPIW-HXUWFJFHSA-N 1 3 308.469 4.270 20 0 DIADHO C[NH+](C)[C@@H]1CCCN(Cc2ccccc2-c2ccccc2)CC1 ZINC000763612889 1053614508 /nfs/dbraw/zinc/61/45/08/1053614508.db2.gz HHQBSKQVYALPIW-HXUWFJFHSA-N 1 3 308.469 4.270 20 0 DIADHO CCN1CCC[C@@H](C[NH2+]C2c3ccccc3-c3ccccc32)C1 ZINC001325038758 1053697223 /nfs/dbraw/zinc/69/72/23/1053697223.db2.gz NFDNWAFJFLQFIS-INIZCTEOSA-N 1 3 306.453 4.078 20 0 DIADHO Cc1c(C)c(C)c(C[NH+]2CCC(N(C)C3CC3)CC2)c(C)c1C ZINC001231494189 1053768450 /nfs/dbraw/zinc/76/84/50/1053768450.db2.gz KATQGLNHJYENIT-UHFFFAOYSA-N 1 3 314.517 4.287 20 0 DIADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC001232145952 1053972598 /nfs/dbraw/zinc/97/25/98/1053972598.db2.gz FUDZWBFZOAZHEQ-MJGOQNOKSA-N 1 3 304.453 4.042 20 0 DIADHO CN(C)Cc1cc(F)cc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC001232145952 1053972605 /nfs/dbraw/zinc/97/26/05/1053972605.db2.gz FUDZWBFZOAZHEQ-MJGOQNOKSA-N 1 3 304.453 4.042 20 0 DIADHO CC(C)Sc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000165352917 1054075647 /nfs/dbraw/zinc/07/56/47/1054075647.db2.gz XKMOJVSEIJLKGY-VYDXJSESSA-N 1 3 306.519 4.320 20 0 DIADHO CC(C)Sc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000165352917 1054075654 /nfs/dbraw/zinc/07/56/54/1054075654.db2.gz XKMOJVSEIJLKGY-VYDXJSESSA-N 1 3 306.519 4.320 20 0 DIADHO Cc1cc(F)ccc1CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000166878201 1054096980 /nfs/dbraw/zinc/09/69/80/1054096980.db2.gz RMMCCXOYIIENFB-UHFFFAOYSA-N 1 3 318.480 4.063 20 0 DIADHO Cc1cc(F)ccc1CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000166878201 1054096988 /nfs/dbraw/zinc/09/69/88/1054096988.db2.gz RMMCCXOYIIENFB-UHFFFAOYSA-N 1 3 318.480 4.063 20 0 DIADHO CC[C@H](C)c1ccc(NC(=[NH2+])NCC2(N(C)C)CCCC2)cc1 ZINC000849056841 1054364961 /nfs/dbraw/zinc/36/49/61/1054364961.db2.gz XATLUPDXDNXCNV-HNNXBMFYSA-N 1 3 316.493 4.011 20 0 DIADHO Cc1sccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000339293406 1054496512 /nfs/dbraw/zinc/49/65/12/1054496512.db2.gz MYETZFMHPYFXLC-HNAYVOBHSA-N 1 3 314.498 4.199 20 0 DIADHO Cc1sccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000339293406 1054496521 /nfs/dbraw/zinc/49/65/21/1054496521.db2.gz MYETZFMHPYFXLC-HNAYVOBHSA-N 1 3 314.498 4.199 20 0 DIADHO Cc1sc2ccccc2c1CN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235045648 1054646122 /nfs/dbraw/zinc/64/61/22/1054646122.db2.gz LEWINJJPUQXVOZ-LJQANCHMSA-N 1 3 314.498 4.318 20 0 DIADHO Cc1ccc(CN2CCC[C@@]3(CCC[NH2+]3)CC2)c2ccccc12 ZINC001235047321 1054647426 /nfs/dbraw/zinc/64/74/26/1054647426.db2.gz VHPOEEFRVMUIKN-NRFANRHFSA-N 1 3 308.469 4.256 20 0 DIADHO CC(C)c1cc(CN2CCC3(CC[NH2+]C3)CC2)ccc1Cl ZINC001235106890 1054658905 /nfs/dbraw/zinc/65/89/05/1054658905.db2.gz SUPUYAPEVARPMT-UHFFFAOYSA-N 1 3 306.881 4.039 20 0 DIADHO CSc1cccc(Cl)c1CN1CCC2(CC[NH2+]CC2)CC1 ZINC001235133147 1054662697 /nfs/dbraw/zinc/66/26/97/1054662697.db2.gz QJOOYNURIQMKFD-UHFFFAOYSA-N 1 3 324.921 4.028 20 0 DIADHO Fc1ccc(-c2cccc(C[N@@H+]3CCCC34CCNCC4)c2)cc1 ZINC001235140182 1054664397 /nfs/dbraw/zinc/66/43/97/1054664397.db2.gz GAIJHQRQNNFCHI-UHFFFAOYSA-N 1 3 324.443 4.211 20 0 DIADHO Fc1ccc(-c2cccc(C[N@H+]3CCCC34CCNCC4)c2)cc1 ZINC001235140182 1054664403 /nfs/dbraw/zinc/66/44/03/1054664403.db2.gz GAIJHQRQNNFCHI-UHFFFAOYSA-N 1 3 324.443 4.211 20 0 DIADHO Cc1cccc(-c2ccc(C[N@@H+]3CCCC34CCNCC4)cc2)c1 ZINC001235144029 1054664784 /nfs/dbraw/zinc/66/47/84/1054664784.db2.gz IKLIGWYKMLTYBR-UHFFFAOYSA-N 1 3 320.480 4.380 20 0 DIADHO Cc1cccc(-c2ccc(C[N@H+]3CCCC34CCNCC4)cc2)c1 ZINC001235144029 1054664789 /nfs/dbraw/zinc/66/47/89/1054664789.db2.gz IKLIGWYKMLTYBR-UHFFFAOYSA-N 1 3 320.480 4.380 20 0 DIADHO CCC(C)(C)c1ccc(C[N@@H+]2CCCC23CCNCC3)cc1 ZINC001235143548 1054665060 /nfs/dbraw/zinc/66/50/60/1054665060.db2.gz FGXHZUNVCIHKPS-UHFFFAOYSA-N 1 3 300.490 4.092 20 0 DIADHO CCC(C)(C)c1ccc(C[N@H+]2CCCC23CCNCC3)cc1 ZINC001235143548 1054665065 /nfs/dbraw/zinc/66/50/65/1054665065.db2.gz FGXHZUNVCIHKPS-UHFFFAOYSA-N 1 3 300.490 4.092 20 0 DIADHO Cc1ccc(-c2cccc(C[N@@H+]3CCCC34CCNCC4)c2)cc1 ZINC001235144709 1054665230 /nfs/dbraw/zinc/66/52/30/1054665230.db2.gz NWSCGPWEMQVPMG-UHFFFAOYSA-N 1 3 320.480 4.380 20 0 DIADHO Cc1ccc(-c2cccc(C[N@H+]3CCCC34CCNCC4)c2)cc1 ZINC001235144709 1054665238 /nfs/dbraw/zinc/66/52/38/1054665238.db2.gz NWSCGPWEMQVPMG-UHFFFAOYSA-N 1 3 320.480 4.380 20 0 DIADHO Fc1ccc(-c2ccccc2C[N@@H+]2CCCC23CCNCC3)cc1 ZINC001235145240 1054667299 /nfs/dbraw/zinc/66/72/99/1054667299.db2.gz RRDHPIDJHOFBRT-UHFFFAOYSA-N 1 3 324.443 4.211 20 0 DIADHO Fc1ccc(-c2ccccc2C[N@H+]2CCCC23CCNCC3)cc1 ZINC001235145240 1054667307 /nfs/dbraw/zinc/66/73/07/1054667307.db2.gz RRDHPIDJHOFBRT-UHFFFAOYSA-N 1 3 324.443 4.211 20 0 DIADHO c1ccc(-c2ccc(C[N@@H+]3CCCCC34CCNCC4)cc2)cc1 ZINC001235189756 1054680427 /nfs/dbraw/zinc/68/04/27/1054680427.db2.gz APULMOXCTMXNCD-UHFFFAOYSA-N 1 3 320.480 4.462 20 0 DIADHO c1ccc(-c2ccc(C[N@H+]3CCCCC34CCNCC4)cc2)cc1 ZINC001235189756 1054680431 /nfs/dbraw/zinc/68/04/31/1054680431.db2.gz APULMOXCTMXNCD-UHFFFAOYSA-N 1 3 320.480 4.462 20 0 DIADHO c1ccc2c(c1)sc1c2cccc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235272710 1054697245 /nfs/dbraw/zinc/69/72/45/1054697245.db2.gz QVDPMNUJIPGRFG-KBXCAEBGSA-N 1 3 322.477 4.238 20 0 DIADHO [NH3+]C[C@@H]1CCCN(Cc2ccc(-c3ccccc3Cl)cc2)C1 ZINC001235677014 1054770508 /nfs/dbraw/zinc/77/05/08/1054770508.db2.gz WBMPRIYFEONRGQ-INIZCTEOSA-N 1 3 314.860 4.178 20 0 DIADHO Fc1ccccc1[C@H]1CCCCN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235677879 1054774501 /nfs/dbraw/zinc/77/45/01/1054774501.db2.gz JGWJJMHQGNTVCP-OAQYLSRUSA-N 1 3 324.443 4.199 20 0 DIADHO COc1cccc([C@@H]2CCCCN2Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC001235727995 1054791192 /nfs/dbraw/zinc/79/11/92/1054791192.db2.gz WTMAAHVXFYVCGB-NRFANRHFSA-N 1 3 322.452 4.026 20 0 DIADHO CC1(C)CCC(c2ccc(CN3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC001235748651 1054798225 /nfs/dbraw/zinc/79/82/25/1054798225.db2.gz DBDKWNSDSLTKAV-KRWDZBQOSA-N 1 3 300.490 4.151 20 0 DIADHO CC1([NH3+])CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 ZINC001235748014 1054798603 /nfs/dbraw/zinc/79/86/03/1054798603.db2.gz HMXTUFXUMQOOFD-UHFFFAOYSA-N 1 3 314.860 4.320 20 0 DIADHO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc2oc3ccccc3c2c1 ZINC001235808346 1054808990 /nfs/dbraw/zinc/80/89/90/1054808990.db2.gz BEDHJSOSQSCZFP-MUJYYYPQSA-N 1 3 306.409 4.040 20 0 DIADHO C[C@@H]1CC[C@H](N)C[N@@H+]1Cc1cccc2c3ccccc3sc21 ZINC001235906856 1054842128 /nfs/dbraw/zinc/84/21/28/1054842128.db2.gz OZVOESBSVQDIRG-HIFRSBDPSA-N 1 3 310.466 4.366 20 0 DIADHO C[C@@H]1CC[C@H](N)C[N@H+]1Cc1cccc2c3ccccc3sc21 ZINC001235906856 1054842138 /nfs/dbraw/zinc/84/21/38/1054842138.db2.gz OZVOESBSVQDIRG-HIFRSBDPSA-N 1 3 310.466 4.366 20 0 DIADHO [NH3+]CC[C@@H]1CCCN1Cc1ccc2sc3ccccc3c2c1 ZINC001235925299 1054848898 /nfs/dbraw/zinc/84/88/98/1054848898.db2.gz GDDIQSYROBHPDY-HNNXBMFYSA-N 1 3 310.466 4.368 20 0 DIADHO C[C@@H](c1ccc(Cl)cc1)N(C)Cc1cc2c(s1)CC[NH2+]C2 ZINC001235951318 1054866359 /nfs/dbraw/zinc/86/63/59/1054866359.db2.gz PWWFPPCSLOYBGY-LBPRGKRZSA-N 1 3 320.889 4.240 20 0 DIADHO CN(Cc1cccc2c3ccccc3oc21)C[C@@H]1CCC[NH2+]C1 ZINC001235950649 1054866428 /nfs/dbraw/zinc/86/64/28/1054866428.db2.gz KGLRQZSOYOSWIU-OAHLLOKOSA-N 1 3 308.425 4.017 20 0 DIADHO C[C@H](c1ccc(Cl)cc1)N(C)Cc1cc2c(s1)CC[NH2+]C2 ZINC001235951317 1054868334 /nfs/dbraw/zinc/86/83/34/1054868334.db2.gz PWWFPPCSLOYBGY-GFCCVEGCSA-N 1 3 320.889 4.240 20 0 DIADHO CN1CCCC[C@H](C[NH2+][C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000624123321 1054883113 /nfs/dbraw/zinc/88/31/13/1054883113.db2.gz JTXBEUAVZCJRFS-YLJYHZDGSA-N 1 3 315.505 4.025 20 0 DIADHO c1ccc(Oc2ccccc2CN2CC3(C2)CCC[NH2+]CC3)cc1 ZINC001236008385 1054894856 /nfs/dbraw/zinc/89/48/56/1054894856.db2.gz CXZHCHKWXRUXJQ-UHFFFAOYSA-N 1 3 322.452 4.054 20 0 DIADHO C[C@H]([NH3+])c1cccc(-c2cccc(CN3CCCCC3)c2F)c1 ZINC001236014867 1054896588 /nfs/dbraw/zinc/89/65/88/1054896588.db2.gz IVDFOLIQGLOALX-HNNXBMFYSA-N 1 3 312.432 4.498 20 0 DIADHO C[C@@H]1C[C@H](N)C[N@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC001236045329 1054911518 /nfs/dbraw/zinc/91/15/18/1054911518.db2.gz BXKMKSXOWGYJNI-WBVHZDCISA-N 1 3 319.452 4.004 20 0 DIADHO C[C@@H]1C[C@H](N)C[N@@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC001236045329 1054911532 /nfs/dbraw/zinc/91/15/32/1054911532.db2.gz BXKMKSXOWGYJNI-WBVHZDCISA-N 1 3 319.452 4.004 20 0 DIADHO C[C@H]1C[C@H](N)C[N@H+](Cc2ccccc2-c2ccc(Cl)cc2)C1 ZINC001236051346 1054916591 /nfs/dbraw/zinc/91/65/91/1054916591.db2.gz WAXMOXSRLCARTO-KSSFIOAISA-N 1 3 314.860 4.176 20 0 DIADHO C[C@H]1C[C@H](N)C[N@@H+](Cc2ccccc2-c2ccc(Cl)cc2)C1 ZINC001236051346 1054916594 /nfs/dbraw/zinc/91/65/94/1054916594.db2.gz WAXMOXSRLCARTO-KSSFIOAISA-N 1 3 314.860 4.176 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cc3cc(Cl)ccc3o2)C1 ZINC000181527428 1054920629 /nfs/dbraw/zinc/92/06/29/1054920629.db2.gz UUSQQUDIARSCOU-QWHCGFSZSA-N 1 3 306.837 4.079 20 0 DIADHO [NH3+]Cc1cccc(CN2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC001236152541 1054971295 /nfs/dbraw/zinc/97/12/95/1054971295.db2.gz RVJNMFFUZCUUBE-GOSISDBHSA-N 1 3 300.833 4.136 20 0 DIADHO CCC[N@H+](Cc1c(C)sc2ccccc21)C1CCNCC1 ZINC001236182477 1054981083 /nfs/dbraw/zinc/98/10/83/1054981083.db2.gz PRQYBWXBLFNEMJ-UHFFFAOYSA-N 1 3 302.487 4.174 20 0 DIADHO CCC[N@@H+](Cc1c(C)sc2ccccc21)C1CCNCC1 ZINC001236182477 1054981098 /nfs/dbraw/zinc/98/10/98/1054981098.db2.gz PRQYBWXBLFNEMJ-UHFFFAOYSA-N 1 3 302.487 4.174 20 0 DIADHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000182817935 1055012880 /nfs/dbraw/zinc/01/28/80/1055012880.db2.gz QEWNAYOOQFONML-MRXNPFEDSA-N 1 3 312.432 4.272 20 0 DIADHO CN(Cc1cc(Cl)cc(Cl)c1Cl)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224864 1055014590 /nfs/dbraw/zinc/01/45/90/1055014590.db2.gz YLXOIYWYBGPGIU-HAQNSBGRSA-N 1 3 321.679 4.349 20 0 DIADHO C[C@H]([NH3+])c1cccc(-c2ccc(CN3CCCCC3)c(F)c2)c1 ZINC001236251071 1055035770 /nfs/dbraw/zinc/03/57/70/1055035770.db2.gz LTEUIPUGCHBCSP-HNNXBMFYSA-N 1 3 312.432 4.498 20 0 DIADHO CCN(CCC12CC([NH3+])(C1)C2)Cc1ccc(Cl)cc1Cl ZINC001236266362 1055045792 /nfs/dbraw/zinc/04/57/92/1055045792.db2.gz QJDWSMHQBLITFT-UHFFFAOYSA-N 1 3 313.272 4.087 20 0 DIADHO Fc1cc(-c2cccc3c2CC[NH2+]C3)ccc1CN1CCCCC1 ZINC001236357185 1055069926 /nfs/dbraw/zinc/06/99/26/1055069926.db2.gz FMNIQQPFKFUVGJ-UHFFFAOYSA-N 1 3 324.443 4.124 20 0 DIADHO C[C@@H](C[N@H+](C[C@@H]1CCCNC1)C1CCCC1)c1ccccc1 ZINC001236373501 1055079000 /nfs/dbraw/zinc/07/90/00/1055079000.db2.gz XUROYHKHQKMTQV-ZWKOTPCHSA-N 1 3 300.490 4.034 20 0 DIADHO C[C@@H](C[N@@H+](C[C@@H]1CCCNC1)C1CCCC1)c1ccccc1 ZINC001236373501 1055079011 /nfs/dbraw/zinc/07/90/11/1055079011.db2.gz XUROYHKHQKMTQV-ZWKOTPCHSA-N 1 3 300.490 4.034 20 0 DIADHO Fc1ccccc1CCC[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236371261 1055079370 /nfs/dbraw/zinc/07/93/70/1055079370.db2.gz JFIMARBTYFEWIN-QGZVFWFLSA-N 1 3 318.480 4.003 20 0 DIADHO Fc1ccccc1CCC[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236371261 1055079380 /nfs/dbraw/zinc/07/93/80/1055079380.db2.gz JFIMARBTYFEWIN-QGZVFWFLSA-N 1 3 318.480 4.003 20 0 DIADHO Cc1cccc(C[N@H+](C[C@H]2CCCNC2)C2CCCC2)c1C ZINC001236373707 1055079525 /nfs/dbraw/zinc/07/95/25/1055079525.db2.gz JODCHULXPNJHON-SFHVURJKSA-N 1 3 300.490 4.048 20 0 DIADHO Cc1cccc(C[N@@H+](C[C@H]2CCCNC2)C2CCCC2)c1C ZINC001236373707 1055079538 /nfs/dbraw/zinc/07/95/38/1055079538.db2.gz JODCHULXPNJHON-SFHVURJKSA-N 1 3 300.490 4.048 20 0 DIADHO CC(C)(C)c1c[nH]c(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236374637 1055082690 /nfs/dbraw/zinc/08/26/90/1055082690.db2.gz FRMVHLZOXPOVBV-INIZCTEOSA-N 1 3 317.521 4.056 20 0 DIADHO Cc1c(F)cc(F)cc1CN(C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236376969 1055083898 /nfs/dbraw/zinc/08/38/98/1055083898.db2.gz WYWJHLLQRGFYRW-HNNXBMFYSA-N 1 3 322.443 4.017 20 0 DIADHO C[C@@H]([NH2+]CCCc1cccc(F)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185755456 1055096329 /nfs/dbraw/zinc/09/63/29/1055096329.db2.gz PXVHMGZPXPNHIT-SJLPKXTDSA-N 1 3 318.480 4.001 20 0 DIADHO CCN(CC)Cc1cc(-c2cccc(C[NH+](C)C)c2)ccc1F ZINC001236425797 1055109464 /nfs/dbraw/zinc/10/94/64/1055109464.db2.gz KWDWRTXVBBDFQO-UHFFFAOYSA-N 1 3 314.448 4.396 20 0 DIADHO Clc1ccc(C[N@H+](CC2CCCC2)C2CCNCC2)cc1 ZINC001236454028 1055122755 /nfs/dbraw/zinc/12/27/55/1055122755.db2.gz UPQJNCIRWPCPNL-UHFFFAOYSA-N 1 3 306.881 4.084 20 0 DIADHO Clc1ccc(C[N@@H+](CC2CCCC2)C2CCNCC2)cc1 ZINC001236454028 1055122761 /nfs/dbraw/zinc/12/27/61/1055122761.db2.gz UPQJNCIRWPCPNL-UHFFFAOYSA-N 1 3 306.881 4.084 20 0 DIADHO CCC[C@@H](C)C[N@H+](Cc1cc(C)cc(F)c1)C1CCNCC1 ZINC001236480487 1055136634 /nfs/dbraw/zinc/13/66/34/1055136634.db2.gz GAMKHRKWNYSVNS-OAHLLOKOSA-N 1 3 306.469 4.124 20 0 DIADHO CCC[C@@H](C)C[N@@H+](Cc1cc(C)cc(F)c1)C1CCNCC1 ZINC001236480487 1055136640 /nfs/dbraw/zinc/13/66/40/1055136640.db2.gz GAMKHRKWNYSVNS-OAHLLOKOSA-N 1 3 306.469 4.124 20 0 DIADHO CCC[C@@H](C)CN(Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236480487 1055136643 /nfs/dbraw/zinc/13/66/43/1055136643.db2.gz GAMKHRKWNYSVNS-OAHLLOKOSA-N 1 3 306.469 4.124 20 0 DIADHO Fc1ccc(CN(CC2CCCCC2)C2CC[NH2+]CC2)cc1F ZINC001236499686 1055150639 /nfs/dbraw/zinc/15/06/39/1055150639.db2.gz PCHCJGJYBWKXOZ-UHFFFAOYSA-N 1 3 322.443 4.099 20 0 DIADHO Cc1ccc(F)cc1CN(CCC1CCCC1)C1CC[NH2+]CC1 ZINC001236508820 1055152722 /nfs/dbraw/zinc/15/27/22/1055152722.db2.gz CDBDLYHDEABRAP-UHFFFAOYSA-N 1 3 318.480 4.268 20 0 DIADHO Cc1ccc(F)cc1C[N@H+](CCC1CCCC1)C1CCNCC1 ZINC001236508820 1055152728 /nfs/dbraw/zinc/15/27/28/1055152728.db2.gz CDBDLYHDEABRAP-UHFFFAOYSA-N 1 3 318.480 4.268 20 0 DIADHO Cc1ccc(F)cc1C[N@@H+](CCC1CCCC1)C1CCNCC1 ZINC001236508820 1055152730 /nfs/dbraw/zinc/15/27/30/1055152730.db2.gz CDBDLYHDEABRAP-UHFFFAOYSA-N 1 3 318.480 4.268 20 0 DIADHO CCCCCCN(Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236509122 1055152982 /nfs/dbraw/zinc/15/29/82/1055152982.db2.gz GVJKOEXMBSPVCR-UHFFFAOYSA-N 1 3 306.469 4.268 20 0 DIADHO CCC(CC)C[N@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001236509205 1055153134 /nfs/dbraw/zinc/15/31/34/1055153134.db2.gz KFLREFMHECHSPO-UHFFFAOYSA-N 1 3 306.469 4.124 20 0 DIADHO CCC(CC)C[N@@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001236509205 1055153140 /nfs/dbraw/zinc/15/31/40/1055153140.db2.gz KFLREFMHECHSPO-UHFFFAOYSA-N 1 3 306.469 4.124 20 0 DIADHO c1sc2ccccc2c1CN(C1CCC1)C1CC[NH2+]CC1 ZINC001236636351 1055208538 /nfs/dbraw/zinc/20/85/38/1055208538.db2.gz DCFVAEBKSWHAAN-UHFFFAOYSA-N 1 3 300.471 4.008 20 0 DIADHO c1sc2ccccc2c1C[N@H+](C1CCC1)C1CCNCC1 ZINC001236636351 1055208543 /nfs/dbraw/zinc/20/85/43/1055208543.db2.gz DCFVAEBKSWHAAN-UHFFFAOYSA-N 1 3 300.471 4.008 20 0 DIADHO c1sc2ccccc2c1C[N@@H+](C1CCC1)C1CCNCC1 ZINC001236636351 1055208554 /nfs/dbraw/zinc/20/85/54/1055208554.db2.gz DCFVAEBKSWHAAN-UHFFFAOYSA-N 1 3 300.471 4.008 20 0 DIADHO CCc1cc(CN(C2CCC2)C2CC[NH2+]CC2)ccc1Cl ZINC001236637727 1055209288 /nfs/dbraw/zinc/20/92/88/1055209288.db2.gz UPCRNJCOLGJNRM-UHFFFAOYSA-N 1 3 306.881 4.009 20 0 DIADHO CCc1cc(C[N@H+](C2CCC2)C2CCNCC2)ccc1Cl ZINC001236637727 1055209296 /nfs/dbraw/zinc/20/92/96/1055209296.db2.gz UPCRNJCOLGJNRM-UHFFFAOYSA-N 1 3 306.881 4.009 20 0 DIADHO CCc1cc(C[N@@H+](C2CCC2)C2CCNCC2)ccc1Cl ZINC001236637727 1055209301 /nfs/dbraw/zinc/20/93/01/1055209301.db2.gz UPCRNJCOLGJNRM-UHFFFAOYSA-N 1 3 306.881 4.009 20 0 DIADHO Cc1ccc(-c2ccc(CN(C3CCC3)C3CC[NH2+]CC3)cc2)o1 ZINC001236638243 1055209558 /nfs/dbraw/zinc/20/95/58/1055209558.db2.gz XESLWTFFLQYCEZ-UHFFFAOYSA-N 1 3 324.468 4.362 20 0 DIADHO CCCCc1ccc(C[N@H+](C2CCC2)C2CCNCC2)cc1 ZINC001236637481 1055209916 /nfs/dbraw/zinc/20/99/16/1055209916.db2.gz QQZRDKAYWQWSKA-UHFFFAOYSA-N 1 3 300.490 4.136 20 0 DIADHO CCCCc1ccc(C[N@@H+](C2CCC2)C2CCNCC2)cc1 ZINC001236637481 1055209926 /nfs/dbraw/zinc/20/99/26/1055209926.db2.gz QQZRDKAYWQWSKA-UHFFFAOYSA-N 1 3 300.490 4.136 20 0 DIADHO CCCCc1ccc(CN(C2CCC2)C2CC[NH2+]CC2)cc1 ZINC001236637481 1055209933 /nfs/dbraw/zinc/20/99/33/1055209933.db2.gz QQZRDKAYWQWSKA-UHFFFAOYSA-N 1 3 300.490 4.136 20 0 DIADHO c1cc2cccc(C[N@H+]3CCCC[C@@H]3CCN3CCCC3)c2o1 ZINC001236731739 1055244193 /nfs/dbraw/zinc/24/41/93/1055244193.db2.gz FEUFMWXZOBHCKV-LJQANCHMSA-N 1 3 312.457 4.273 20 0 DIADHO c1cc2cccc(C[N@@H+]3CCCC[C@@H]3CCN3CCCC3)c2o1 ZINC001236731739 1055244205 /nfs/dbraw/zinc/24/42/05/1055244205.db2.gz FEUFMWXZOBHCKV-LJQANCHMSA-N 1 3 312.457 4.273 20 0 DIADHO c1cc2cccc(CN3CCCC[C@@H]3CC[NH+]3CCCC3)c2o1 ZINC001236731739 1055244213 /nfs/dbraw/zinc/24/42/13/1055244213.db2.gz FEUFMWXZOBHCKV-LJQANCHMSA-N 1 3 312.457 4.273 20 0 DIADHO CCCN(Cc1c(C)sc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001236842321 1055286806 /nfs/dbraw/zinc/28/68/06/1055286806.db2.gz DYOCAUACDGPSDY-OAHLLOKOSA-N 1 3 302.487 4.031 20 0 DIADHO CCCN(Cc1cc(-c2ccsc2)cs1)C[C@@H]1CC[NH2+]C1 ZINC001236843741 1055287601 /nfs/dbraw/zinc/28/76/01/1055287601.db2.gz QPPCQBNRILSZTL-CQSZACIVSA-N 1 3 320.527 4.298 20 0 DIADHO CCCN(Cc1ccc(-c2ccc(C)o2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236844604 1055289643 /nfs/dbraw/zinc/28/96/43/1055289643.db2.gz WQHZHJITAODILA-GOSISDBHSA-N 1 3 312.457 4.077 20 0 DIADHO C[C@H](NC/C=C\c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383944353 1055308576 /nfs/dbraw/zinc/30/85/76/1055308576.db2.gz VQHYBIOYLBHOTP-URGCHDPTSA-N 1 3 320.480 4.200 20 0 DIADHO C[C@H](NC/C=C\c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383944353 1055308593 /nfs/dbraw/zinc/30/85/93/1055308593.db2.gz VQHYBIOYLBHOTP-URGCHDPTSA-N 1 3 320.480 4.200 20 0 DIADHO C[C@H]([NH2+]C/C=C\c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000383944353 1055308608 /nfs/dbraw/zinc/30/86/08/1055308608.db2.gz VQHYBIOYLBHOTP-URGCHDPTSA-N 1 3 320.480 4.200 20 0 DIADHO Cc1ccccc1-c1ccccc1CN1CCC[C@](C)(C[NH3+])C1 ZINC001237079809 1055362811 /nfs/dbraw/zinc/36/28/11/1055362811.db2.gz BSAIPQWTIJLSPX-OAQYLSRUSA-N 1 3 308.469 4.223 20 0 DIADHO CC1=C[C@@H](C)[C@H](CN2Cc3ccccc3C23CC[NH2+]CC3)CC1 ZINC001237301764 1055420782 /nfs/dbraw/zinc/42/07/82/1055420782.db2.gz ZTZXUCMPGYFALJ-MSOLQXFVSA-N 1 3 310.485 4.073 20 0 DIADHO CC1=C[C@H](C)[C@H](CN2Cc3ccccc3C23CC[NH2+]CC3)CC1 ZINC001237301766 1055421602 /nfs/dbraw/zinc/42/16/02/1055421602.db2.gz ZTZXUCMPGYFALJ-ROUUACIJSA-N 1 3 310.485 4.073 20 0 DIADHO Cc1cc(C)c(CN2CCC3(CC2)[NH2+]Cc2ccccc23)c(C)c1 ZINC001237359574 1055439169 /nfs/dbraw/zinc/43/91/69/1055439169.db2.gz PRJHUIWMSFDSAN-UHFFFAOYSA-N 1 3 320.480 4.206 20 0 DIADHO CC(C)c1cc(CN2CCC3(CC[C@H]3[NH3+])CC2)ccc1Cl ZINC001237359037 1055439488 /nfs/dbraw/zinc/43/94/88/1055439488.db2.gz MKCWVTLANFXHAX-QGZVFWFLSA-N 1 3 306.881 4.167 20 0 DIADHO Cc1c(C[NH+]2CCC(N(C)C)CC2)cccc1-c1ccccc1 ZINC001237579343 1055475423 /nfs/dbraw/zinc/47/54/23/1055475423.db2.gz KDYAIXIORQYAQN-UHFFFAOYSA-N 1 3 308.469 4.188 20 0 DIADHO CC(C)CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001620872959 1055501384 /nfs/dbraw/zinc/50/13/84/1055501384.db2.gz LLIZUYUQANHCJX-PCCBWWKXSA-N 1 3 314.517 4.313 20 0 DIADHO CC(C)C1=NCCc2ccc(C[NH+]3CCC4(CCC4)CC3)cc21 ZINC001237880141 1055546133 /nfs/dbraw/zinc/54/61/33/1055546133.db2.gz DAKRAVOVFHFOET-UHFFFAOYSA-N 1 3 310.485 4.454 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@@H+]3CC[C@@H]4CCC[C@H]4C3)cc21 ZINC001237875561 1055547377 /nfs/dbraw/zinc/54/73/77/1055547377.db2.gz APZDLNBREZTJRG-HKUYNNGSSA-N 1 3 310.485 4.310 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@H+]3CC[C@@H]4CCC[C@H]4C3)cc21 ZINC001237875561 1055547387 /nfs/dbraw/zinc/54/73/87/1055547387.db2.gz APZDLNBREZTJRG-HKUYNNGSSA-N 1 3 310.485 4.310 20 0 DIADHO N[C@H]1CC[N@H+](Cc2ccccc2-c2cccc3ccccc32)C1 ZINC001239472211 1055897987 /nfs/dbraw/zinc/89/79/87/1055897987.db2.gz XXEWPXYPSOOKKX-SFHVURJKSA-N 1 3 302.421 4.040 20 0 DIADHO N[C@H]1CC[N@@H+](Cc2ccccc2-c2cccc3ccccc32)C1 ZINC001239472211 1055897994 /nfs/dbraw/zinc/89/79/94/1055897994.db2.gz XXEWPXYPSOOKKX-SFHVURJKSA-N 1 3 302.421 4.040 20 0 DIADHO CCCc1cccc(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC001620983739 1055948054 /nfs/dbraw/zinc/94/80/54/1055948054.db2.gz ROGXZRFVRADJHP-YADHBBJMSA-N 1 3 322.496 4.074 20 0 DIADHO CCCc1cccc(CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC001620983739 1055948058 /nfs/dbraw/zinc/94/80/58/1055948058.db2.gz ROGXZRFVRADJHP-YADHBBJMSA-N 1 3 322.496 4.074 20 0 DIADHO C[NH+](C)Cc1ccccc1-c1ccc(CN2CCCC2)c(F)c1 ZINC001239685688 1056027743 /nfs/dbraw/zinc/02/77/43/1056027743.db2.gz YOUZRJJKPPRERO-UHFFFAOYSA-N 1 3 312.432 4.150 20 0 DIADHO CC(C)[NH+]1CCC(N[C@@H](C)c2csc3ccccc32)CC1 ZINC000765834884 1056287407 /nfs/dbraw/zinc/28/74/07/1056287407.db2.gz SURKIEXIFHWHIQ-AWEZNQCLSA-N 1 3 302.487 4.425 20 0 DIADHO Nc1ccnc2cc(-c3ccc(C[NH+]4CCCC4)cc3)ccc12 ZINC001240060564 1056297453 /nfs/dbraw/zinc/29/74/53/1056297453.db2.gz NABPTRGORZGQAS-UHFFFAOYSA-N 1 3 303.409 4.080 20 0 DIADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2CC(C)C)[C@H](C)C1 ZINC001615896640 1056591834 /nfs/dbraw/zinc/59/18/34/1056591834.db2.gz YZEJGEMLSDCJND-XLIONFOSSA-N 1 3 302.506 4.047 20 0 DIADHO CC[N@H+]1CC[C@H](N(C)Cc2ccccc2CC(C)C)[C@H](C)C1 ZINC001615896640 1056591844 /nfs/dbraw/zinc/59/18/44/1056591844.db2.gz YZEJGEMLSDCJND-XLIONFOSSA-N 1 3 302.506 4.047 20 0 DIADHO CC(C)c1ccc([C@@H](C)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001616346433 1056639130 /nfs/dbraw/zinc/63/91/30/1056639130.db2.gz IVPWYILMMPQQNS-QGZVFWFLSA-N 1 3 309.457 4.088 20 0 DIADHO CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC001618048268 1056918753 /nfs/dbraw/zinc/91/87/53/1056918753.db2.gz KROQCOCRWXVEPE-QZTJIDSGSA-N 1 3 306.881 4.209 20 0 DIADHO CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC001618048268 1056918759 /nfs/dbraw/zinc/91/87/59/1056918759.db2.gz KROQCOCRWXVEPE-QZTJIDSGSA-N 1 3 306.881 4.209 20 0 DIADHO C[C@@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000390791449 1057050258 /nfs/dbraw/zinc/05/02/58/1057050258.db2.gz WTJYVYOLBYSZJC-UYAOXDASSA-N 1 3 308.469 4.249 20 0 DIADHO C[C@@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000390791449 1057050261 /nfs/dbraw/zinc/05/02/61/1057050261.db2.gz WTJYVYOLBYSZJC-UYAOXDASSA-N 1 3 308.469 4.249 20 0 DIADHO C1CC2(C1)C[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)CCS2 ZINC000922840989 1057066197 /nfs/dbraw/zinc/06/61/97/1057066197.db2.gz WPGJFXUNUFNTKN-KRWDZBQOSA-N 1 3 322.562 4.191 20 0 DIADHO Cc1cccc([C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C(C)(C)C)c1 ZINC000166788576 1057676381 /nfs/dbraw/zinc/67/63/81/1057676381.db2.gz JDCLZKVMQXDUBH-OTWHNJEPSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1cccc([C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C(C)(C)C)c1 ZINC000166788576 1057676387 /nfs/dbraw/zinc/67/63/87/1057676387.db2.gz JDCLZKVMQXDUBH-OTWHNJEPSA-N 1 3 300.490 4.299 20 0 DIADHO c1ccc(-c2cccc(CCN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000166850635 1057678476 /nfs/dbraw/zinc/67/84/76/1057678476.db2.gz NKUAGEGYBRNWMX-FGZHOGPDSA-N 1 3 320.480 4.113 20 0 DIADHO c1ccc(-c2cccc(CCN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000166850635 1057678480 /nfs/dbraw/zinc/67/84/80/1057678480.db2.gz NKUAGEGYBRNWMX-FGZHOGPDSA-N 1 3 320.480 4.113 20 0 DIADHO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246155168 1058701509 /nfs/dbraw/zinc/70/15/09/1058701509.db2.gz UPJKFQLTEJRMHI-WMQCIHAUSA-N 1 3 308.469 4.009 20 0 DIADHO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246155167 1058702746 /nfs/dbraw/zinc/70/27/46/1058702746.db2.gz UPJKFQLTEJRMHI-IOMROCGXSA-N 1 3 308.469 4.009 20 0 DIADHO Cc1ccc([C@H](C)[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246155166 1058702919 /nfs/dbraw/zinc/70/29/19/1058702919.db2.gz UPJKFQLTEJRMHI-DZFGPLHGSA-N 1 3 308.469 4.009 20 0 DIADHO CC[C@@H]1C[C@H](NCCc2cccc(Oc3ccccc3)c2)CC[NH2+]1 ZINC001246160630 1058704724 /nfs/dbraw/zinc/70/47/24/1058704724.db2.gz UHBDFCOTAHYULH-RTBURBONSA-N 1 3 324.468 4.142 20 0 DIADHO c1ccc(-c2ccc(CC[NH2+][C@@H]3CCNC4(CCC4)C3)cc2)cc1 ZINC001246162639 1058705269 /nfs/dbraw/zinc/70/52/69/1058705269.db2.gz GXKJUIZXIXUTSI-OAQYLSRUSA-N 1 3 320.480 4.160 20 0 DIADHO CC(C)c1ccc(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001246163123 1058705833 /nfs/dbraw/zinc/70/58/33/1058705833.db2.gz VUSKCOTUAZVGJD-RTWAWAEBSA-N 1 3 308.469 4.393 20 0 DIADHO Fc1ccc(C[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC001246170792 1058713665 /nfs/dbraw/zinc/71/36/65/1058713665.db2.gz NBMJYQADIHIBEJ-FUHWJXTLSA-N 1 3 318.823 4.062 20 0 DIADHO CCCC[C@H]1C[C@@H](NCCCOc2cccc(Cl)c2)CC[NH2+]1 ZINC001246172975 1058714664 /nfs/dbraw/zinc/71/46/64/1058714664.db2.gz FLANOTTWBCHACM-IRXDYDNUSA-N 1 3 324.896 4.009 20 0 DIADHO CC[C@H]1CC(NCCCOc2ccc(Cl)cc2)C[C@H](CC)[NH2+]1 ZINC001246175865 1058717963 /nfs/dbraw/zinc/71/79/63/1058717963.db2.gz GQKIVKNMBRIMFV-HOTGVXAUSA-N 1 3 324.896 4.008 20 0 DIADHO CC[C@@H]1C[C@H](NCCCOc2cccc(Cl)c2)C[C@H](CC)[NH2+]1 ZINC001246176736 1058719143 /nfs/dbraw/zinc/71/91/43/1058719143.db2.gz RHDKDQDLVNWRIW-FVQHAEBGSA-N 1 3 324.896 4.008 20 0 DIADHO CCCC[C@H]1C[C@H](NCCCOc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246175676 1058720481 /nfs/dbraw/zinc/72/04/81/1058720481.db2.gz FVJGHCSXDLGXTK-DLBZAZTESA-N 1 3 324.896 4.009 20 0 DIADHO CC[C@@H]1C[C@@H](NC2(c3ccccc3)CCCC2)C[C@H](CC)[NH2+]1 ZINC001246178838 1058724649 /nfs/dbraw/zinc/72/46/49/1058724649.db2.gz KLEVAMDIPMOBRE-REPLKXPHSA-N 1 3 300.490 4.355 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+]CCCc2ccc(Cl)cc2)CCN1 ZINC001246183482 1058726177 /nfs/dbraw/zinc/72/61/77/1058726177.db2.gz YHGQDVXWHIMONO-QZTJIDSGSA-N 1 3 308.897 4.173 20 0 DIADHO C[C@@H]1CC([NH2+]CC(C)(c2ccccc2)c2ccccc2)C[C@@H](C)N1 ZINC001246181518 1058727990 /nfs/dbraw/zinc/72/79/90/1058727990.db2.gz YZZNWAGVZXZLFB-QZTJIDSGSA-N 1 3 322.496 4.111 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CCN1 ZINC001246181331 1058728179 /nfs/dbraw/zinc/72/81/79/1058728179.db2.gz VXTFOFWLTOPBFL-CINKKYBTSA-N 1 3 318.549 4.492 20 0 DIADHO CC(C)[C@@H]1C[C@@H](NC2(c3ccccc3)CCCCC2)CC[NH2+]1 ZINC001246226815 1058750065 /nfs/dbraw/zinc/75/00/65/1058750065.db2.gz BWKBHARNWHDRQG-OALUTQOASA-N 1 3 300.490 4.212 20 0 DIADHO CC(C)[C@@H]1C[C@@H](N[C@@H](c2ccccc2)C2CCCC2)CC[NH2+]1 ZINC001246268103 1058782661 /nfs/dbraw/zinc/78/26/61/1058782661.db2.gz HUMPCCOHOFWEBK-UFYCRDLUSA-N 1 3 300.490 4.284 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+][C@H](C)Cc2ccc(Cl)cc2)CCN1 ZINC001246273628 1058787975 /nfs/dbraw/zinc/78/79/75/1058787975.db2.gz QONLBDZXJFEDAN-ZTFGCOKTSA-N 1 3 308.897 4.171 20 0 DIADHO CCCC[C@H]1C[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CCN1 ZINC001246277860 1058795005 /nfs/dbraw/zinc/79/50/05/1058795005.db2.gz BOTFBSMXMJGLGA-SSHXOBKSSA-N 1 3 320.443 4.256 20 0 DIADHO CCCC[C@@H]1C[C@@H](N[C@@H](c2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246284004 1058800586 /nfs/dbraw/zinc/80/05/86/1058800586.db2.gz CAJFGYZNKMYHHZ-AABGKKOBSA-N 1 3 300.490 4.428 20 0 DIADHO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)c(C)c1 ZINC001246288745 1058803879 /nfs/dbraw/zinc/80/38/79/1058803879.db2.gz CDMXIAFKZPZWHR-TYPHKJRUSA-N 1 3 322.496 4.317 20 0 DIADHO C[C@H](N[C@H]1CCC2(C1)CC[NH2+]CC2)c1c(F)cccc1Cl ZINC001246293470 1058806219 /nfs/dbraw/zinc/80/62/19/1058806219.db2.gz DJMMWYLFMZSPKJ-STQMWFEESA-N 1 3 310.844 4.052 20 0 DIADHO CCOc1cccc([C@@H](C)N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246294709 1058807933 /nfs/dbraw/zinc/80/79/33/1058807933.db2.gz HOMRITRQNVHFAO-LKUPVBHCSA-N 1 3 324.468 4.229 20 0 DIADHO c1ccc(C[C@H]2C[C@@H]([NH2+]C3(c4ccccc4)CCC3)CCN2)cc1 ZINC001246314472 1058825656 /nfs/dbraw/zinc/82/56/56/1058825656.db2.gz XFGGHLNIEMQWDJ-SFTDATJTSA-N 1 3 320.480 4.019 20 0 DIADHO Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246318391 1058829469 /nfs/dbraw/zinc/82/94/69/1058829469.db2.gz SYYPMDHSLMMFEH-SESVDKBCSA-N 1 3 322.496 4.317 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)N[C@H]1CCC[NH2+][C@@H]1C ZINC001246324905 1058834769 /nfs/dbraw/zinc/83/47/69/1058834769.db2.gz HMVHYIVWHSVUGD-SVMVAKDDSA-N 1 3 322.496 4.327 20 0 DIADHO CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246326516 1058837154 /nfs/dbraw/zinc/83/71/54/1058837154.db2.gz PTYCUMIMYIOEMN-BYCMXARLSA-N 1 3 315.288 4.045 20 0 DIADHO C[C@H]1C[C@H](NC2(c3ccc(F)cc3)CC[NH2+]CC2)CC(C)(C)C1 ZINC001246335042 1058841761 /nfs/dbraw/zinc/84/17/61/1058841761.db2.gz GGPHLOVEERIXME-YJBOKZPZSA-N 1 3 318.480 4.209 20 0 DIADHO CCCC[C@H](CCC)NC1(c2ccc(F)cc2)CC[NH2+]CC1 ZINC001246338136 1058846325 /nfs/dbraw/zinc/84/63/25/1058846325.db2.gz XFFUAGJJZIQBGN-SFHVURJKSA-N 1 3 306.469 4.353 20 0 DIADHO CCCCCC[C@H](CC)[NH2+]C[C@@H]1CCN[C@H]1c1cccnc1 ZINC001246340051 1058846392 /nfs/dbraw/zinc/84/63/92/1058846392.db2.gz KODOXEROLFWOER-FHWLQOOXSA-N 1 3 303.494 4.071 20 0 DIADHO CCCCC[C@H](CC)NC1(c2ccc(F)cc2)CC[NH2+]CC1 ZINC001246337338 1058846553 /nfs/dbraw/zinc/84/65/53/1058846553.db2.gz ROGSIBYZRIVEFH-SFHVURJKSA-N 1 3 306.469 4.353 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@]23C[C@H]4C[C@@](C)(C2)C[C@](C)(C4)C3)CCN1 ZINC001246337503 1058849002 /nfs/dbraw/zinc/84/90/02/1058849002.db2.gz VXTFOFWLTOPBFL-POBLZQCHSA-N 1 3 318.549 4.492 20 0 DIADHO CCCCC(CCCC)[NH2+]C[C@@H]1CCN[C@H]1c1cccnc1 ZINC001246340687 1058850119 /nfs/dbraw/zinc/85/01/19/1058850119.db2.gz MVGXFFIAFUOJDU-HKUYNNGSSA-N 1 3 303.494 4.071 20 0 DIADHO CCCCCC[C@H](CCC)[NH2+]C[C@@H]1CCN[C@@H]1c1cccnc1 ZINC001246342735 1058851131 /nfs/dbraw/zinc/85/11/31/1058851131.db2.gz TWRTTXJFSBDZOA-SLFFLAALSA-N 1 3 317.521 4.461 20 0 DIADHO CC1(C)CC[C@@H](NC2(c3ccc(Cl)cc3)CC[NH2+]CC2)C1 ZINC001246342171 1058855054 /nfs/dbraw/zinc/85/50/54/1058855054.db2.gz QUVJFBMFWKTOQN-MRXNPFEDSA-N 1 3 306.881 4.087 20 0 DIADHO CC(C)(N[C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC001246349708 1058863672 /nfs/dbraw/zinc/86/36/72/1058863672.db2.gz NYOYWEOCMOCUCK-OALUTQOASA-N 1 3 312.432 4.144 20 0 DIADHO c1ccc([C@@H]2C[C@H](NCc3cccc(C4CC4)c3)CC[NH2+]2)cc1 ZINC001246361831 1058871503 /nfs/dbraw/zinc/87/15/03/1058871503.db2.gz JPPHADNNSHLGQC-RTWAWAEBSA-N 1 3 306.453 4.147 20 0 DIADHO CCCCC[C@@H](CCC)[NH2+]C1(Cc2ccccn2)CCNCC1 ZINC001246371146 1058872976 /nfs/dbraw/zinc/87/29/76/1058872976.db2.gz LSNCGHMECJOPKC-GOSISDBHSA-N 1 3 317.521 4.085 20 0 DIADHO Cc1ccccc1CC(C)(C)[NH2+][C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246373205 1058879260 /nfs/dbraw/zinc/87/92/60/1058879260.db2.gz PAFWQMLYOGWZJU-ROUUACIJSA-N 1 3 302.506 4.072 20 0 DIADHO CC1(C)CCC[C@@H]([NH2+]C2(c3ccccc3Cl)CCNCC2)C1 ZINC001246376176 1058881746 /nfs/dbraw/zinc/88/17/46/1058881746.db2.gz SSKXESJOSRGXFY-OAHLLOKOSA-N 1 3 320.908 4.477 20 0 DIADHO CC(C)=CCC[C@H](C)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246382653 1058887533 /nfs/dbraw/zinc/88/75/33/1058887533.db2.gz ZAZXIJLAAQXMCO-KRWDZBQOSA-N 1 3 318.480 4.215 20 0 DIADHO C(C1CC1)C1([NH2+][C@@H]2CCCC3(CCCCC3)C2)CCNCC1 ZINC001246392768 1058896368 /nfs/dbraw/zinc/89/63/68/1058896368.db2.gz RHVOVRYHZICSAX-GOSISDBHSA-N 1 3 304.522 4.391 20 0 DIADHO CC(C)(C)[C@H]1C[C@H](NC2(Cc3cccc(F)c3)CCC2)CC[NH2+]1 ZINC001246395336 1058896925 /nfs/dbraw/zinc/89/69/25/1058896925.db2.gz VELCFMQPIDEXFY-QZTJIDSGSA-N 1 3 318.480 4.047 20 0 DIADHO CC(C)=CCC[C@H](C)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246392337 1058898005 /nfs/dbraw/zinc/89/80/05/1058898005.db2.gz RXLFHBIHWFBOBQ-KRWDZBQOSA-N 1 3 318.480 4.215 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)CCN1 ZINC001246391620 1058898968 /nfs/dbraw/zinc/89/89/68/1058898968.db2.gz NYPSRKYYCMFAQI-MOPGFXCFSA-N 1 3 318.480 4.191 20 0 DIADHO CC[C@H]1C[C@@H](NC2(c3ccccc3)CCC(F)(F)CC2)CC[NH2+]1 ZINC001246408074 1058908378 /nfs/dbraw/zinc/90/83/78/1058908378.db2.gz UGRFOHNSUVRZFB-IRXDYDNUSA-N 1 3 322.443 4.211 20 0 DIADHO CC[C@@H](C)C[C@@H](CC)NC1(c2cccc(OC)c2)CC[NH2+]CC1 ZINC001246417507 1058917339 /nfs/dbraw/zinc/91/73/39/1058917339.db2.gz XQYJZSNGHZMHBV-SJLPKXTDSA-N 1 3 318.505 4.078 20 0 DIADHO CC[C@H](C[C@@H](C)CC)NC1(c2cccc(OC)c2)CC[NH2+]CC1 ZINC001246417504 1058917575 /nfs/dbraw/zinc/91/75/75/1058917575.db2.gz XQYJZSNGHZMHBV-FUHWJXTLSA-N 1 3 318.505 4.078 20 0 DIADHO CCCC[C@H]1C[C@H]([NH2+]CC2(C)CCC(F)(F)CC2)CCN1 ZINC001246425308 1058918347 /nfs/dbraw/zinc/91/83/47/1058918347.db2.gz ACDBKUHKBBFNAC-LSDHHAIUSA-N 1 3 302.453 4.102 20 0 DIADHO Fc1c(Cl)cccc1CCN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246421791 1058918559 /nfs/dbraw/zinc/91/85/59/1058918559.db2.gz PHALJNDQLCTUCT-OAHLLOKOSA-N 1 3 324.871 4.066 20 0 DIADHO CCOc1ccc([C@@H](C)N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001246414915 1058918815 /nfs/dbraw/zinc/91/88/15/1058918815.db2.gz VDSNDAKDFZEPGE-BSIFCXSSSA-N 1 3 324.468 4.229 20 0 DIADHO CC(C)CC[C@H](C)[NH2+]C1(Cc2cccc(Cl)c2)CCNCC1 ZINC001246428181 1058922628 /nfs/dbraw/zinc/92/26/28/1058922628.db2.gz JZBZJCHONQYDAH-INIZCTEOSA-N 1 3 322.924 4.419 20 0 DIADHO CCCCC[C@@H](CC)[NH2+]C1(c2ccccc2F)CCNCC1 ZINC001246429321 1058923772 /nfs/dbraw/zinc/92/37/72/1058923772.db2.gz LWIZXCBHDYRKCQ-MRXNPFEDSA-N 1 3 306.469 4.353 20 0 DIADHO Cc1ccc(CC[C@@H](C)NC2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC001246429368 1058923946 /nfs/dbraw/zinc/92/39/46/1058923946.db2.gz MJCUIBMAOPFMEO-LJQANCHMSA-N 1 3 322.496 4.185 20 0 DIADHO CCCC[C@H]1C[C@H]([NH2+]CC(C)(C)Cc2cccc(F)c2)CCN1 ZINC001246433642 1058927266 /nfs/dbraw/zinc/92/72/66/1058927266.db2.gz UBICVYMBUTXRSH-RBUKOAKNSA-N 1 3 320.496 4.295 20 0 DIADHO CC[C@H](CC(C)C)[NH2+]C1(Cc2cccc(Cl)c2)CCNCC1 ZINC001246438237 1058929127 /nfs/dbraw/zinc/92/91/27/1058929127.db2.gz RUMWRIHRDDUJOP-GOSISDBHSA-N 1 3 322.924 4.419 20 0 DIADHO C[C@@H]1CCC[C@@H](NC2(c3cccc(Cl)c3)CC[NH2+]CC2)C1 ZINC001246436976 1058929413 /nfs/dbraw/zinc/92/94/13/1058929413.db2.gz LPAJCEUZHMVHGH-RHSMWYFYSA-N 1 3 306.881 4.087 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H](NC2(Cc3ccccc3F)CCC2)CC[NH2+]1 ZINC001246437177 1058932001 /nfs/dbraw/zinc/93/20/01/1058932001.db2.gz ZQIBYDQKTXYPTB-AEFFLSMTSA-N 1 3 318.480 4.047 20 0 DIADHO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]C2(CC3CCC3)CCNCC2)C1 ZINC001246446019 1058937096 /nfs/dbraw/zinc/93/70/96/1058937096.db2.gz JQUOLJOGGRXFFJ-LSDHHAIUSA-N 1 3 318.427 4.010 20 0 DIADHO CCc1ccc(C[C@@H](C)[NH2+]C2(CC3CCC3)CCNCC2)cc1 ZINC001246449034 1058937849 /nfs/dbraw/zinc/93/78/49/1058937849.db2.gz VPYIDTKIFGQVLO-QGZVFWFLSA-N 1 3 314.517 4.082 20 0 DIADHO CCC[C@@]1(C[NH2+][C@@H](C)CC(C)(C)SCc2ccco2)CCN1 ZINC001246454661 1058942255 /nfs/dbraw/zinc/94/22/55/1058942255.db2.gz FZRRYSXSHACAOF-YJBOKZPZSA-N 1 3 324.534 4.192 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCN1 ZINC001246460238 1058944893 /nfs/dbraw/zinc/94/48/93/1058944893.db2.gz DUVQBSOUIABMQE-INDMIFKZSA-N 1 3 300.490 4.079 20 0 DIADHO C[C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CCNCC2)CC(C)(C)C1 ZINC001246467805 1058952159 /nfs/dbraw/zinc/95/21/59/1058952159.db2.gz UPAQFTYFKHVWGL-MJGOQNOKSA-N 1 3 314.517 4.156 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCc3ccccc32)CCN1 ZINC001246466192 1058952955 /nfs/dbraw/zinc/95/29/55/1058952955.db2.gz NXDMIPQXHXKVEA-OTWHNJEPSA-N 1 3 300.490 4.007 20 0 DIADHO Clc1ccc(C2CCC([NH2+][C@H]3CCNCC34CC4)CC2)cc1 ZINC001246473655 1058960920 /nfs/dbraw/zinc/96/09/20/1058960920.db2.gz MKSOKMUQBCMENZ-VJFUWPCTSA-N 1 3 318.892 4.098 20 0 DIADHO CCCC(C[NH3+])(CCC)N[C@H](C)CSc1ccc(C)cc1 ZINC001246496520 1058970781 /nfs/dbraw/zinc/97/07/81/1058970781.db2.gz OOLRCVIKGGQMEJ-MRXNPFEDSA-N 1 3 308.535 4.363 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246496589 1058971211 /nfs/dbraw/zinc/97/12/11/1058971211.db2.gz OUUDEHPQRZLKMZ-UEXGIBASSA-N 1 3 322.496 4.327 20 0 DIADHO CC[C@@H]1C[C@@H](N[C@@H]2CCCCc3ccccc32)C[C@H](CC)[NH2+]1 ZINC001246496552 1058971744 /nfs/dbraw/zinc/97/17/44/1058971744.db2.gz JRXVUWRWFIUYPD-AJYBTWMASA-N 1 3 300.490 4.353 20 0 DIADHO CC[C@H]1CC[C@H](C2CCC([NH2+][C@@H](C3CC3)C3CNC3)CC2)CC1 ZINC001246514443 1058977197 /nfs/dbraw/zinc/97/71/97/1058977197.db2.gz HZQQANBHXNQZFN-XYHWXZFYSA-N 1 3 318.549 4.349 20 0 DIADHO C[C@H](Cc1ccccc1Cl)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246510332 1058979282 /nfs/dbraw/zinc/97/92/82/1058979282.db2.gz HADOUNOVJCBRMA-WBVHZDCISA-N 1 3 320.908 4.316 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)CCN1 ZINC001246521114 1058982850 /nfs/dbraw/zinc/98/28/50/1058982850.db2.gz WJDHLDWHTQQVRE-VQTJNVASSA-N 1 3 314.517 4.108 20 0 DIADHO Clc1ccc([C@@H](C[NH2+][C@@H]2CCNC3(CCC3)C2)C2CC2)cc1 ZINC001246515240 1058983298 /nfs/dbraw/zinc/98/32/98/1058983298.db2.gz LIJJNSWAEOTQCQ-MSOLQXFVSA-N 1 3 318.892 4.098 20 0 DIADHO Clc1ccc([C@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3)C2CC2)cc1 ZINC001246516967 1058983614 /nfs/dbraw/zinc/98/36/14/1058983614.db2.gz XFXXFRORPBHWFY-YDZRNGNQSA-N 1 3 318.892 4.096 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2c2cccc(C)c2)CCN1 ZINC001246542655 1058994114 /nfs/dbraw/zinc/99/41/14/1058994114.db2.gz WRIFSFWBDJCMJC-AABGKKOBSA-N 1 3 300.490 4.443 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2cccc(C)c2)CCN1 ZINC001246542655 1058994130 /nfs/dbraw/zinc/99/41/30/1058994130.db2.gz WRIFSFWBDJCMJC-AABGKKOBSA-N 1 3 300.490 4.443 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@](C)(N)C1 ZINC001246540170 1058995383 /nfs/dbraw/zinc/99/53/83/1058995383.db2.gz LGYMPQCFYLWNAE-MLGOLLRUSA-N 1 3 315.288 4.128 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@](C)(N)C1 ZINC001246540170 1058995402 /nfs/dbraw/zinc/99/54/02/1058995402.db2.gz LGYMPQCFYLWNAE-MLGOLLRUSA-N 1 3 315.288 4.128 20 0 DIADHO C[C@@H](CSc1ccc(Cl)cc1)N1CCC[C@](C)([NH3+])CC1 ZINC001246555255 1058997051 /nfs/dbraw/zinc/99/70/51/1058997051.db2.gz WSPFXHNUXMLETE-BBRMVZONSA-N 1 3 312.910 4.024 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCC[C@@H](CN)[C@@H]1C ZINC001246565174 1059007070 /nfs/dbraw/zinc/00/70/70/1059007070.db2.gz OUCUGYXWZIXEDT-PMPSAXMXSA-N 1 3 324.534 4.129 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CCC[C@@H](CN)[C@@H]1C ZINC001246565174 1059007092 /nfs/dbraw/zinc/00/70/92/1059007092.db2.gz OUCUGYXWZIXEDT-PMPSAXMXSA-N 1 3 324.534 4.129 20 0 DIADHO CC(C)[N@H+]([C@@H]1CCc2cc(Cl)ccc2C1)[C@@H]1CCCNCC1 ZINC001246581823 1059011297 /nfs/dbraw/zinc/01/12/97/1059011297.db2.gz AXIKYMPDXLPYSG-RTBURBONSA-N 1 3 320.908 4.050 20 0 DIADHO CC(C)[N@@H+]([C@@H]1CCc2cc(Cl)ccc2C1)[C@@H]1CCCNCC1 ZINC001246581823 1059011317 /nfs/dbraw/zinc/01/13/17/1059011317.db2.gz AXIKYMPDXLPYSG-RTBURBONSA-N 1 3 320.908 4.050 20 0 DIADHO CC1(C)C[C@@H]([NH+]2CCC(c3cccc(Cl)c3)CC2)CCN1 ZINC001246592223 1059015718 /nfs/dbraw/zinc/01/57/18/1059015718.db2.gz FZVDXVKHSSDCAS-KRWDZBQOSA-N 1 3 306.881 4.050 20 0 DIADHO CC1(C)C[C@@H](N2CCC(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246592223 1059015740 /nfs/dbraw/zinc/01/57/40/1059015740.db2.gz FZVDXVKHSSDCAS-KRWDZBQOSA-N 1 3 306.881 4.050 20 0 DIADHO CC[C@@H]1C[C@H](N2CCC(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246595398 1059018317 /nfs/dbraw/zinc/01/83/17/1059018317.db2.gz NGYPVKADOIJCFN-QZTJIDSGSA-N 1 3 306.881 4.050 20 0 DIADHO CC(C)[N@H+]([C@@H](C)Cc1ccc(Cl)cc1)[C@H]1CCCNCC1 ZINC001246590688 1059019543 /nfs/dbraw/zinc/01/95/43/1059019543.db2.gz HQXIBRLCHGPFNJ-YJBOKZPZSA-N 1 3 308.897 4.124 20 0 DIADHO CC(C)[N@@H+]([C@@H](C)Cc1ccc(Cl)cc1)[C@H]1CCCNCC1 ZINC001246590688 1059019562 /nfs/dbraw/zinc/01/95/62/1059019562.db2.gz HQXIBRLCHGPFNJ-YJBOKZPZSA-N 1 3 308.897 4.124 20 0 DIADHO CC[C@@H]1C[C@H](N2CCC(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246602881 1059024681 /nfs/dbraw/zinc/02/46/81/1059024681.db2.gz QGJNOBZLLHYAKG-QZTJIDSGSA-N 1 3 306.881 4.050 20 0 DIADHO C[C@@H](Cc1ccccc1F)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246609270 1059028548 /nfs/dbraw/zinc/02/85/48/1059028548.db2.gz MCKMRSGADHUSGM-PXNSSMCTSA-N 1 3 318.480 4.003 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246613427 1059030501 /nfs/dbraw/zinc/03/05/01/1059030501.db2.gz ZHYPYUACDNTXGB-WOJBJXKFSA-N 1 3 300.490 4.006 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@]12CCCNC2 ZINC001246613427 1059030526 /nfs/dbraw/zinc/03/05/26/1059030526.db2.gz ZHYPYUACDNTXGB-WOJBJXKFSA-N 1 3 300.490 4.006 20 0 DIADHO CCCC[C@H](Cc1ccccc1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001246613427 1059030549 /nfs/dbraw/zinc/03/05/49/1059030549.db2.gz ZHYPYUACDNTXGB-WOJBJXKFSA-N 1 3 300.490 4.006 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC001246619856 1059031305 /nfs/dbraw/zinc/03/13/05/1059031305.db2.gz JAAPAMDEOFYISC-UXHICEINSA-N 1 3 300.490 4.006 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@]2(C1)CCCCN2 ZINC001246619856 1059031328 /nfs/dbraw/zinc/03/13/28/1059031328.db2.gz JAAPAMDEOFYISC-UXHICEINSA-N 1 3 300.490 4.006 20 0 DIADHO c1ccc2c(c1)CCCC21CC[NH+]([C@@H]2CCNC3(CCC3)C2)CC1 ZINC001246618553 1059031560 /nfs/dbraw/zinc/03/15/60/1059031560.db2.gz HCEVQGRWEKOUJO-LJQANCHMSA-N 1 3 324.512 4.031 20 0 DIADHO CCCC[C@H](Cc1ccccc1)N1CCC2(CCC[NH2+]2)CC1 ZINC001246626085 1059039862 /nfs/dbraw/zinc/03/98/62/1059039862.db2.gz SDGWOEIVNUJMRI-LJQANCHMSA-N 1 3 300.490 4.006 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)N1CC2CC1(C[NH3+])C2 ZINC001246643694 1059048865 /nfs/dbraw/zinc/04/88/65/1059048865.db2.gz CGWOTUANVHCZKE-PDDLGQBUSA-N 1 3 320.480 4.020 20 0 DIADHO Cc1ccc(SC[C@H](C)[N@@H+]2CCCCC23CCNCC3)cc1 ZINC001246649351 1059050236 /nfs/dbraw/zinc/05/02/36/1059050236.db2.gz XRPPAAQRRWNBAD-KRWDZBQOSA-N 1 3 318.530 4.084 20 0 DIADHO Cc1ccc(SC[C@H](C)[N@H+]2CCCCC23CCNCC3)cc1 ZINC001246649351 1059050259 /nfs/dbraw/zinc/05/02/59/1059050259.db2.gz XRPPAAQRRWNBAD-KRWDZBQOSA-N 1 3 318.530 4.084 20 0 DIADHO Cc1ccc(SC[C@H](C)N2CCCCC23CC[NH2+]CC3)cc1 ZINC001246649351 1059050276 /nfs/dbraw/zinc/05/02/76/1059050276.db2.gz XRPPAAQRRWNBAD-KRWDZBQOSA-N 1 3 318.530 4.084 20 0 DIADHO c1ccc([C@@H]2CCC[C@@H]([N@H+]3CCCC[C@]34CCCNC4)C2)cc1 ZINC001246651515 1059055685 /nfs/dbraw/zinc/05/56/85/1059055685.db2.gz LXRGHEIKRGFHFP-NJDAHSKKSA-N 1 3 312.501 4.321 20 0 DIADHO c1ccc([C@@H]2CCC[C@@H]([N@@H+]3CCCC[C@]34CCCNC4)C2)cc1 ZINC001246651515 1059055712 /nfs/dbraw/zinc/05/57/12/1059055712.db2.gz LXRGHEIKRGFHFP-NJDAHSKKSA-N 1 3 312.501 4.321 20 0 DIADHO c1ccc([C@@H]2CCC[C@@H](N3CCCC[C@]34CCC[NH2+]C4)C2)cc1 ZINC001246651515 1059055731 /nfs/dbraw/zinc/05/57/31/1059055731.db2.gz LXRGHEIKRGFHFP-NJDAHSKKSA-N 1 3 312.501 4.321 20 0 DIADHO CCCC[C@H](CC)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246673544 1059056166 /nfs/dbraw/zinc/05/61/66/1059056166.db2.gz PHRMGZXASFMIJE-ACRUOGEOSA-N 1 3 314.517 4.208 20 0 DIADHO CCCC[C@H](CC)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246673544 1059056189 /nfs/dbraw/zinc/05/61/89/1059056189.db2.gz PHRMGZXASFMIJE-ACRUOGEOSA-N 1 3 314.517 4.208 20 0 DIADHO CCCC(CCC)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246675849 1059058539 /nfs/dbraw/zinc/05/85/39/1059058539.db2.gz YJWKRLPFTVUKQG-PZJWPPBQSA-N 1 3 314.517 4.208 20 0 DIADHO CCCC(CCC)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246675849 1059058553 /nfs/dbraw/zinc/05/85/53/1059058553.db2.gz YJWKRLPFTVUKQG-PZJWPPBQSA-N 1 3 314.517 4.208 20 0 DIADHO CCCCC[C@H](C)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246672545 1059060160 /nfs/dbraw/zinc/06/01/60/1059060160.db2.gz LYEWVJBPLBCQJP-SESVDKBCSA-N 1 3 314.517 4.208 20 0 DIADHO CCCCC[C@H](C)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246672545 1059060184 /nfs/dbraw/zinc/06/01/84/1059060184.db2.gz LYEWVJBPLBCQJP-SESVDKBCSA-N 1 3 314.517 4.208 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246775316 1059072167 /nfs/dbraw/zinc/07/21/67/1059072167.db2.gz JFPQMWGUUPWFFU-NJDAHSKKSA-N 1 3 314.517 4.252 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246775316 1059072189 /nfs/dbraw/zinc/07/21/89/1059072189.db2.gz JFPQMWGUUPWFFU-NJDAHSKKSA-N 1 3 314.517 4.252 20 0 DIADHO CN(CCCc1ccccc1)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246775717 1059078185 /nfs/dbraw/zinc/07/81/85/1059078185.db2.gz KTVCFXBYSNNWTH-LJQANCHMSA-N 1 3 300.490 4.006 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246776539 1059078577 /nfs/dbraw/zinc/07/85/77/1059078577.db2.gz OBQCPAYPOHZMAV-AABGKKOBSA-N 1 3 314.517 4.108 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246776539 1059078592 /nfs/dbraw/zinc/07/85/92/1059078592.db2.gz OBQCPAYPOHZMAV-AABGKKOBSA-N 1 3 314.517 4.108 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246782850 1059079838 /nfs/dbraw/zinc/07/98/38/1059079838.db2.gz LLOMSJNWMOLBAO-JHPBPYBXSA-N 1 3 304.522 4.198 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246782850 1059079859 /nfs/dbraw/zinc/07/98/59/1059079859.db2.gz LLOMSJNWMOLBAO-JHPBPYBXSA-N 1 3 304.522 4.198 20 0 DIADHO CC[C@@H]1C[C@@H](N2CCC[C@@H]2c2ccc(OC)cc2)C[C@H](CC)[NH2+]1 ZINC001246783152 1059081024 /nfs/dbraw/zinc/08/10/24/1059081024.db2.gz WSUSULINNXTGAM-AJYBTWMASA-N 1 3 316.489 4.141 20 0 DIADHO CC[C@@H]1CC(N2CCC(c3cccs3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246786841 1059088959 /nfs/dbraw/zinc/08/89/59/1059088959.db2.gz AIONEGXDKMNUBD-HZPDHXFCSA-N 1 3 306.519 4.237 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H](N2CCC(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246788933 1059090649 /nfs/dbraw/zinc/09/06/49/1059090649.db2.gz RYYHOWZVVAOUIZ-RBUKOAKNSA-N 1 3 318.480 4.172 20 0 DIADHO c1ccc2cc(C3CCN([C@@H]4C[C@H]5CC[C@@H](C4)[NH2+]5)CC3)ccc2c1 ZINC001246794474 1059099415 /nfs/dbraw/zinc/09/94/15/1059099415.db2.gz ZVPTVRVTNNOVAR-KOUNCHBCSA-N 1 3 320.480 4.302 20 0 DIADHO Fc1cccc([C@@H]2CCCN2[C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246801182 1059103264 /nfs/dbraw/zinc/10/32/64/1059103264.db2.gz RYWNWEGPHVZHCC-ACRUOGEOSA-N 1 3 324.443 4.456 20 0 DIADHO C[Si](C)(C)C[N@H+](Cc1ccccc1)[C@H]1CCNC2(CCC2)C1 ZINC001246814320 1059104918 /nfs/dbraw/zinc/10/49/18/1059104918.db2.gz PYFQLAPJFIAXKL-SFHVURJKSA-N 1 3 316.565 4.041 20 0 DIADHO C[Si](C)(C)C[N@@H+](Cc1ccccc1)[C@H]1CCNC2(CCC2)C1 ZINC001246814320 1059104932 /nfs/dbraw/zinc/10/49/32/1059104932.db2.gz PYFQLAPJFIAXKL-SFHVURJKSA-N 1 3 316.565 4.041 20 0 DIADHO CCN(Cc1ccc(F)cc1)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246838430 1059119667 /nfs/dbraw/zinc/11/96/67/1059119667.db2.gz BVVNIHKRNGXUQX-PMACEKPBSA-N 1 3 312.432 4.141 20 0 DIADHO CC[C@@H]1C[C@@H](N(CCc2ccccc2)Cc2ccccc2)CC[NH2+]1 ZINC001246838899 1059120377 /nfs/dbraw/zinc/12/03/77/1059120377.db2.gz KDIGYYMCLXMUHC-YADHBBJMSA-N 1 3 322.496 4.262 20 0 DIADHO CC[C@@H]1C[C@@H]([N@H+](CCc2ccccc2)Cc2ccccc2)CCN1 ZINC001246838899 1059120394 /nfs/dbraw/zinc/12/03/94/1059120394.db2.gz KDIGYYMCLXMUHC-YADHBBJMSA-N 1 3 322.496 4.262 20 0 DIADHO CC[C@@H]1C[C@@H]([N@@H+](CCc2ccccc2)Cc2ccccc2)CCN1 ZINC001246838899 1059120411 /nfs/dbraw/zinc/12/04/11/1059120411.db2.gz KDIGYYMCLXMUHC-YADHBBJMSA-N 1 3 322.496 4.262 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](c3ccccc3)CC2)CCN1 ZINC001246845070 1059122364 /nfs/dbraw/zinc/12/23/64/1059122364.db2.gz KCEDJMSHZRLEAR-UFYCRDLUSA-N 1 3 314.517 4.423 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)CC2)CCN1 ZINC001246845070 1059122377 /nfs/dbraw/zinc/12/23/77/1059122377.db2.gz KCEDJMSHZRLEAR-UFYCRDLUSA-N 1 3 314.517 4.423 20 0 DIADHO C[N@H+](C[C@@H]1CCCNC1)C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246843203 1059123088 /nfs/dbraw/zinc/12/30/88/1059123088.db2.gz UVBVOSCMERPVBW-LSJNQWAISA-N 1 3 320.908 4.298 20 0 DIADHO C[N@@H+](C[C@@H]1CCCNC1)C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246843203 1059123092 /nfs/dbraw/zinc/12/30/92/1059123092.db2.gz UVBVOSCMERPVBW-LSJNQWAISA-N 1 3 320.908 4.298 20 0 DIADHO CCc1ccc(C[N@H+](C)[C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246844493 1059123902 /nfs/dbraw/zinc/12/39/02/1059123902.db2.gz JHESIGMZLVPPNS-VXKWHMMOSA-N 1 3 322.496 4.044 20 0 DIADHO CCc1ccc(C[N@@H+](C)[C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246844493 1059123920 /nfs/dbraw/zinc/12/39/20/1059123920.db2.gz JHESIGMZLVPPNS-VXKWHMMOSA-N 1 3 322.496 4.044 20 0 DIADHO C[C@H]1CC([N@H+](CCc2ccccc2)Cc2ccccc2)C[C@H](C)N1 ZINC001246844445 1059124794 /nfs/dbraw/zinc/12/47/94/1059124794.db2.gz YWYGWPYLNBHKEQ-OALUTQOASA-N 1 3 322.496 4.260 20 0 DIADHO C[C@H]1CC([N@@H+](CCc2ccccc2)Cc2ccccc2)C[C@H](C)N1 ZINC001246844445 1059124808 /nfs/dbraw/zinc/12/48/08/1059124808.db2.gz YWYGWPYLNBHKEQ-OALUTQOASA-N 1 3 322.496 4.260 20 0 DIADHO C[C@@H](CC(C)(C)SCc1ccco1)[N@H+](C)C[C@H]1CCCNC1 ZINC001246843741 1059125046 /nfs/dbraw/zinc/12/50/46/1059125046.db2.gz WALIRTNYZXJHEG-HOTGVXAUSA-N 1 3 324.534 4.001 20 0 DIADHO C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+](C)C[C@H]1CCCNC1 ZINC001246843741 1059125054 /nfs/dbraw/zinc/12/50/54/1059125054.db2.gz WALIRTNYZXJHEG-HOTGVXAUSA-N 1 3 324.534 4.001 20 0 DIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H]1CCN ZINC001246846612 1059128204 /nfs/dbraw/zinc/12/82/04/1059128204.db2.gz PDWSWCNPWZJMFA-JSGCOSHPSA-N 1 3 315.288 4.128 20 0 DIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H]1CCN ZINC001246846612 1059128210 /nfs/dbraw/zinc/12/82/10/1059128210.db2.gz PDWSWCNPWZJMFA-JSGCOSHPSA-N 1 3 315.288 4.128 20 0 DIADHO CC[C@@H]1c2ccccc2CCN1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246863804 1059137515 /nfs/dbraw/zinc/13/75/15/1059137515.db2.gz GIUMMILGSHYJNG-UYAOXDASSA-N 1 3 312.501 4.451 20 0 DIADHO c1ccc(C[C@@H]2C[C@H]([N@H+](Cc3ccccc3)C3CC3)CCN2)cc1 ZINC001246861084 1059138753 /nfs/dbraw/zinc/13/87/53/1059138753.db2.gz QIDQLRQAIUJOLD-IFMALSPDSA-N 1 3 320.480 4.014 20 0 DIADHO c1ccc(C[C@@H]2C[C@H]([N@@H+](Cc3ccccc3)C3CC3)CCN2)cc1 ZINC001246861084 1059138756 /nfs/dbraw/zinc/13/87/56/1059138756.db2.gz QIDQLRQAIUJOLD-IFMALSPDSA-N 1 3 320.480 4.014 20 0 DIADHO CCCC[C@@H]1C[C@H](N2CCc3ccccc3[C@@H]2CC)CC[NH2+]1 ZINC001246867632 1059140602 /nfs/dbraw/zinc/14/06/02/1059140602.db2.gz PTRFSBNXZRUWSA-GGPKGHCWSA-N 1 3 300.490 4.307 20 0 DIADHO CCCC[C@@H]1C[C@@H](N2CCc3ccccc3[C@@H]2CC)CC[NH2+]1 ZINC001246867648 1059142903 /nfs/dbraw/zinc/14/29/03/1059142903.db2.gz PTRFSBNXZRUWSA-HBFSDRIKSA-N 1 3 300.490 4.307 20 0 DIADHO CC[C@@H]1CC(N2CCc3ccccc3[C@@H]2CC)C[C@@H](CC)[NH2+]1 ZINC001246868232 1059143781 /nfs/dbraw/zinc/14/37/81/1059143781.db2.gz RIEDDWLDQZMSCK-HLIPFELVSA-N 1 3 300.490 4.305 20 0 DIADHO C[C@@H]1C[C@@H]([N@H+](C)CCC(c2ccccc2)c2ccccc2)CCN1 ZINC001246884075 1059149944 /nfs/dbraw/zinc/14/99/44/1059149944.db2.gz SLJHJWPJQCGICY-NQIIRXRSSA-N 1 3 322.496 4.281 20 0 DIADHO C[C@@H]1C[C@@H]([N@@H+](C)CCC(c2ccccc2)c2ccccc2)CCN1 ZINC001246884075 1059149949 /nfs/dbraw/zinc/14/99/49/1059149949.db2.gz SLJHJWPJQCGICY-NQIIRXRSSA-N 1 3 322.496 4.281 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)N1CCC[C@@H]1C[NH3+] ZINC001246918864 1059175140 /nfs/dbraw/zinc/17/51/40/1059175140.db2.gz XXPSRFBMCHXQLC-FXAWDEMLSA-N 1 3 308.469 4.020 20 0 DIADHO C[C@@H]1CC[C@H]([N@H+](Cc2cccc(F)c2)C2CCNCC2)C[C@H]1C ZINC001246936338 1059184290 /nfs/dbraw/zinc/18/42/90/1059184290.db2.gz IZZQHCLQCDLVEG-QINHECLXSA-N 1 3 318.480 4.204 20 0 DIADHO C[C@@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)C2CCNCC2)C[C@H]1C ZINC001246936338 1059184297 /nfs/dbraw/zinc/18/42/97/1059184297.db2.gz IZZQHCLQCDLVEG-QINHECLXSA-N 1 3 318.480 4.204 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246937862 1059186469 /nfs/dbraw/zinc/18/64/69/1059186469.db2.gz NDZUPLFFUPKWLG-WMZOPIPTSA-N 1 3 318.480 4.001 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246937862 1059186474 /nfs/dbraw/zinc/18/64/74/1059186474.db2.gz NDZUPLFFUPKWLG-WMZOPIPTSA-N 1 3 318.480 4.001 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H](N)[C@H]1C ZINC001246937971 1059186638 /nfs/dbraw/zinc/18/66/38/1059186638.db2.gz KSCXNKAGXSDCGD-XHBSWPGZSA-N 1 3 315.288 4.126 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@H](N)[C@H]1C ZINC001246937971 1059186647 /nfs/dbraw/zinc/18/66/47/1059186647.db2.gz KSCXNKAGXSDCGD-XHBSWPGZSA-N 1 3 315.288 4.126 20 0 DIADHO C[C@H]1CC([N@H+](Cc2cccc(F)c2)C2CCNCC2)C[C@H](C)C1 ZINC001246944749 1059190025 /nfs/dbraw/zinc/19/00/25/1059190025.db2.gz VIJKYGCAJIGFID-HZPDHXFCSA-N 1 3 318.480 4.204 20 0 DIADHO C[C@H]1CC([N@@H+](Cc2cccc(F)c2)C2CCNCC2)C[C@H](C)C1 ZINC001246944749 1059190036 /nfs/dbraw/zinc/19/00/36/1059190036.db2.gz VIJKYGCAJIGFID-HZPDHXFCSA-N 1 3 318.480 4.204 20 0 DIADHO CC1(C)CC[C@H]([N@H+](Cc2ccc(Cl)cc2)C2CCNCC2)C1 ZINC001246948004 1059193835 /nfs/dbraw/zinc/19/38/35/1059193835.db2.gz ZIJVJLHDEZHUFR-SFHVURJKSA-N 1 3 320.908 4.473 20 0 DIADHO CC1(C)CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)C2CCNCC2)C1 ZINC001246948004 1059193848 /nfs/dbraw/zinc/19/38/48/1059193848.db2.gz ZIJVJLHDEZHUFR-SFHVURJKSA-N 1 3 320.908 4.473 20 0 DIADHO CCC[C@@H](CC)[N@H+](Cc1cc(C)cc(F)c1)C1CCNCC1 ZINC001246951597 1059195547 /nfs/dbraw/zinc/19/55/47/1059195547.db2.gz MPJQAFCMOZJXHR-GOSISDBHSA-N 1 3 306.469 4.267 20 0 DIADHO CCC[C@@H](CC)[N@@H+](Cc1cc(C)cc(F)c1)C1CCNCC1 ZINC001246951597 1059195555 /nfs/dbraw/zinc/19/55/55/1059195555.db2.gz MPJQAFCMOZJXHR-GOSISDBHSA-N 1 3 306.469 4.267 20 0 DIADHO C[C@H](CC1CC1)[N@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001246947326 1059195932 /nfs/dbraw/zinc/19/59/32/1059195932.db2.gz VBIBTOVWTBTGSB-CQSZACIVSA-N 1 3 306.881 4.083 20 0 DIADHO C[C@H](CC1CC1)[N@@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001246947326 1059195942 /nfs/dbraw/zinc/19/59/42/1059195942.db2.gz VBIBTOVWTBTGSB-CQSZACIVSA-N 1 3 306.881 4.083 20 0 DIADHO C[C@H]1CCC[C@@H]([N@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246956194 1059198580 /nfs/dbraw/zinc/19/85/80/1059198580.db2.gz QRIPJFXTTDHCJL-WMLDXEAASA-N 1 3 322.443 4.098 20 0 DIADHO C[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246956194 1059198587 /nfs/dbraw/zinc/19/85/87/1059198587.db2.gz QRIPJFXTTDHCJL-WMLDXEAASA-N 1 3 322.443 4.098 20 0 DIADHO C[C@H]1CCC[C@@H](N(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246956194 1059198590 /nfs/dbraw/zinc/19/85/90/1059198590.db2.gz QRIPJFXTTDHCJL-WMLDXEAASA-N 1 3 322.443 4.098 20 0 DIADHO CCCC[C@@H](CC(C)C)N(Cc1ccccn1)C1CC[NH2+]CC1 ZINC001246953174 1059198922 /nfs/dbraw/zinc/19/89/22/1059198922.db2.gz MDEKMRGJKTVYMB-FQEVSTJZSA-N 1 3 317.521 4.241 20 0 DIADHO CCCC[C@@H](CC(C)C)[N@H+](Cc1ccccn1)C1CCNCC1 ZINC001246953174 1059198934 /nfs/dbraw/zinc/19/89/34/1059198934.db2.gz MDEKMRGJKTVYMB-FQEVSTJZSA-N 1 3 317.521 4.241 20 0 DIADHO CCCC[C@@H](CC(C)C)[N@@H+](Cc1ccccn1)C1CCNCC1 ZINC001246953174 1059198942 /nfs/dbraw/zinc/19/89/42/1059198942.db2.gz MDEKMRGJKTVYMB-FQEVSTJZSA-N 1 3 317.521 4.241 20 0 DIADHO CC1CCC(N(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246954437 1059200223 /nfs/dbraw/zinc/20/02/23/1059200223.db2.gz HHIHSMKLDDVMIB-UHFFFAOYSA-N 1 3 322.443 4.098 20 0 DIADHO CC1CCC([N@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)CC1 ZINC001246954437 1059200240 /nfs/dbraw/zinc/20/02/40/1059200240.db2.gz HHIHSMKLDDVMIB-UHFFFAOYSA-N 1 3 322.443 4.098 20 0 DIADHO CC1CCC([N@@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)CC1 ZINC001246954437 1059200254 /nfs/dbraw/zinc/20/02/54/1059200254.db2.gz HHIHSMKLDDVMIB-UHFFFAOYSA-N 1 3 322.443 4.098 20 0 DIADHO C[C@@H]1CCC[C@@H]([N@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246956191 1059201328 /nfs/dbraw/zinc/20/13/28/1059201328.db2.gz QRIPJFXTTDHCJL-RHSMWYFYSA-N 1 3 322.443 4.098 20 0 DIADHO C[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246956191 1059201342 /nfs/dbraw/zinc/20/13/42/1059201342.db2.gz QRIPJFXTTDHCJL-RHSMWYFYSA-N 1 3 322.443 4.098 20 0 DIADHO C[C@@H]1CCC[C@@H](N(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246956191 1059201354 /nfs/dbraw/zinc/20/13/54/1059201354.db2.gz QRIPJFXTTDHCJL-RHSMWYFYSA-N 1 3 322.443 4.098 20 0 DIADHO Cc1cc(F)ccc1C[N@H+](C1CCNCC1)[C@@H]1CCC[C@H](C)C1 ZINC001246961255 1059204282 /nfs/dbraw/zinc/20/42/82/1059204282.db2.gz PLJQZTXICMDUFM-MGPUTAFESA-N 1 3 318.480 4.267 20 0 DIADHO Cc1cc(F)ccc1C[N@@H+](C1CCNCC1)[C@@H]1CCC[C@H](C)C1 ZINC001246961255 1059204300 /nfs/dbraw/zinc/20/43/00/1059204300.db2.gz PLJQZTXICMDUFM-MGPUTAFESA-N 1 3 318.480 4.267 20 0 DIADHO CCCCC[C@H](CCC)N(Cc1ccccn1)C1CC[NH2+]CC1 ZINC001246956614 1059204571 /nfs/dbraw/zinc/20/45/71/1059204571.db2.gz ZFKARLRNSPBZGS-IBGZPJMESA-N 1 3 317.521 4.385 20 0 DIADHO CCCCC[C@H](CCC)[N@H+](Cc1ccccn1)C1CCNCC1 ZINC001246956614 1059204580 /nfs/dbraw/zinc/20/45/80/1059204580.db2.gz ZFKARLRNSPBZGS-IBGZPJMESA-N 1 3 317.521 4.385 20 0 DIADHO CCCCC[C@H](CCC)[N@@H+](Cc1ccccn1)C1CCNCC1 ZINC001246956614 1059204609 /nfs/dbraw/zinc/20/46/09/1059204609.db2.gz ZFKARLRNSPBZGS-IBGZPJMESA-N 1 3 317.521 4.385 20 0 DIADHO CC[C@H]1CC[C@H](N(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246956832 1059204744 /nfs/dbraw/zinc/20/47/44/1059204744.db2.gz WAYMSGBJTBBSAX-YOEHRIQHSA-N 1 3 322.443 4.098 20 0 DIADHO CC[C@H]1CC[C@H]([N@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246956832 1059204769 /nfs/dbraw/zinc/20/47/69/1059204769.db2.gz WAYMSGBJTBBSAX-YOEHRIQHSA-N 1 3 322.443 4.098 20 0 DIADHO CC[C@H]1CC[C@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246956832 1059204790 /nfs/dbraw/zinc/20/47/90/1059204790.db2.gz WAYMSGBJTBBSAX-YOEHRIQHSA-N 1 3 322.443 4.098 20 0 DIADHO CC[C@H]1CC(N(Cc2ccccc2)C2CCC2)C[C@H](CC)[NH2+]1 ZINC001246959220 1059207665 /nfs/dbraw/zinc/20/76/65/1059207665.db2.gz FRROBWJPQQFZGJ-ROUUACIJSA-N 1 3 300.490 4.350 20 0 DIADHO CCCC[C@H]1C[C@H](N(Cc2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246956958 1059208989 /nfs/dbraw/zinc/20/89/89/1059208989.db2.gz BKVGGMHNTLGCDC-AZUAARDMSA-N 1 3 300.490 4.352 20 0 DIADHO Cc1ccc(F)cc1C[N@H+](C1CCNCC1)C1CCCCCC1 ZINC001246967015 1059209610 /nfs/dbraw/zinc/20/96/10/1059209610.db2.gz ZXBIVOHOHKWMTE-UHFFFAOYSA-N 1 3 318.480 4.411 20 0 DIADHO Cc1ccc(F)cc1C[N@@H+](C1CCNCC1)C1CCCCCC1 ZINC001246967015 1059209634 /nfs/dbraw/zinc/20/96/34/1059209634.db2.gz ZXBIVOHOHKWMTE-UHFFFAOYSA-N 1 3 318.480 4.411 20 0 DIADHO CC(C)C[C@@H](Cc1ccccc1)[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC001246976227 1059215954 /nfs/dbraw/zinc/21/59/54/1059215954.db2.gz VUIHINPCICEDHR-FPOVZHCZSA-N 1 3 314.517 4.108 20 0 DIADHO CC(C)C[C@@H](Cc1ccccc1)[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC001246976227 1059215972 /nfs/dbraw/zinc/21/59/72/1059215972.db2.gz VUIHINPCICEDHR-FPOVZHCZSA-N 1 3 314.517 4.108 20 0 DIADHO CCC[C@H](Cc1ccccc1)[N@H+](CCC)[C@@H]1CCN[C@H](C)C1 ZINC001246975273 1059217610 /nfs/dbraw/zinc/21/76/10/1059217610.db2.gz BNSDPRXJMGOJIA-MISYRCLQSA-N 1 3 302.506 4.250 20 0 DIADHO CCC[C@H](Cc1ccccc1)[N@@H+](CCC)[C@@H]1CCN[C@H](C)C1 ZINC001246975273 1059217625 /nfs/dbraw/zinc/21/76/25/1059217625.db2.gz BNSDPRXJMGOJIA-MISYRCLQSA-N 1 3 302.506 4.250 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC001246971303 1059220008 /nfs/dbraw/zinc/22/00/08/1059220008.db2.gz FMMZRSOTWSGMIV-PMACEKPBSA-N 1 3 314.517 4.252 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC001246971303 1059220023 /nfs/dbraw/zinc/22/00/23/1059220023.db2.gz FMMZRSOTWSGMIV-PMACEKPBSA-N 1 3 314.517 4.252 20 0 DIADHO C[C@H](Cc1c(F)cccc1Cl)[N@H+](C1CCC1)C1CCNCC1 ZINC001246977790 1059222696 /nfs/dbraw/zinc/22/26/96/1059222696.db2.gz RCRCTUCIDJTVRB-CYBMUJFWSA-N 1 3 324.871 4.017 20 0 DIADHO C[C@H](Cc1c(F)cccc1Cl)[N@@H+](C1CCC1)C1CCNCC1 ZINC001246977790 1059222710 /nfs/dbraw/zinc/22/27/10/1059222710.db2.gz RCRCTUCIDJTVRB-CYBMUJFWSA-N 1 3 324.871 4.017 20 0 DIADHO Cc1ccccc1[C@H]1CCC[N@@H+]1[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001247001759 1059234372 /nfs/dbraw/zinc/23/43/72/1059234372.db2.gz KZIDPIJCQCPCJL-BHIYHBOVSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccccc1[C@H]1CCC[N@H+]1[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001247001759 1059234395 /nfs/dbraw/zinc/23/43/95/1059234395.db2.gz KZIDPIJCQCPCJL-BHIYHBOVSA-N 1 3 300.490 4.299 20 0 DIADHO CC(C)CCC[C@@H](C)[N@@H+]1Cc2ccccc2C12CCNCC2 ZINC001247010315 1059237038 /nfs/dbraw/zinc/23/70/38/1059237038.db2.gz OEMPMWXBMZJMMB-QGZVFWFLSA-N 1 3 300.490 4.296 20 0 DIADHO CC(C)CCC[C@@H](C)[N@H+]1Cc2ccccc2C12CCNCC2 ZINC001247010315 1059237059 /nfs/dbraw/zinc/23/70/59/1059237059.db2.gz OEMPMWXBMZJMMB-QGZVFWFLSA-N 1 3 300.490 4.296 20 0 DIADHO C[C@@H](CCSc1ccccc1)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC001559568554 1059395406 /nfs/dbraw/zinc/39/54/06/1059395406.db2.gz ZQECWUJTIONOKJ-ROUUACIJSA-N 1 3 320.546 4.364 20 0 DIADHO C[C@@H](CCSc1ccccc1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC001559568554 1059395432 /nfs/dbraw/zinc/39/54/32/1059395432.db2.gz ZQECWUJTIONOKJ-ROUUACIJSA-N 1 3 320.546 4.364 20 0 DIADHO CN(C)[C@@H]1CCC[N@H+](CCCCc2cccc(Cl)c2)CC1 ZINC001559749064 1059583538 /nfs/dbraw/zinc/58/35/38/1059583538.db2.gz DWUOXBHBQLTWEV-GOSISDBHSA-N 1 3 308.897 4.079 20 0 DIADHO CN(C)[C@@H]1CCC[N@@H+](CCCCc2cccc(Cl)c2)CC1 ZINC001559749064 1059583560 /nfs/dbraw/zinc/58/35/60/1059583560.db2.gz DWUOXBHBQLTWEV-GOSISDBHSA-N 1 3 308.897 4.079 20 0 DIADHO CCN(CC)CCC[N@H+](C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001559911512 1059728039 /nfs/dbraw/zinc/72/80/39/1059728039.db2.gz LTZDQYMPGDUGKC-PMACEKPBSA-N 1 3 302.506 4.377 20 0 DIADHO CCN(CC)CCC[N@@H+](C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001559911512 1059728060 /nfs/dbraw/zinc/72/80/60/1059728060.db2.gz LTZDQYMPGDUGKC-PMACEKPBSA-N 1 3 302.506 4.377 20 0 DIADHO CC1(C)[C@@H](c2cccc(F)c2)CCN1CCC[NH+]1CCCCC1 ZINC001560057086 1059865927 /nfs/dbraw/zinc/86/59/27/1059865927.db2.gz FVXHWELEBNSDMR-LJQANCHMSA-N 1 3 318.480 4.270 20 0 DIADHO CCCCCCc1csc(CN2CC3(C2)CC[NH+](C)CC3)c1 ZINC001248687623 1059938998 /nfs/dbraw/zinc/93/89/98/1059938998.db2.gz WOIMYVFADNKKMF-UHFFFAOYSA-N 1 3 320.546 4.399 20 0 DIADHO Cc1cc(F)ccc1CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC001560252671 1060019067 /nfs/dbraw/zinc/01/90/67/1060019067.db2.gz HLEWVPWTQRAEPL-UHFFFAOYSA-N 1 3 312.432 4.020 20 0 DIADHO CCCN1CC[C@@H](C[NH2+]C2CCC(C3CCCCC3)CC2)C1 ZINC001560291109 1060071372 /nfs/dbraw/zinc/07/13/72/1060071372.db2.gz DCURXZXKHOPSKS-KKXNLOMOSA-N 1 3 306.538 4.447 20 0 DIADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(C3CCCC3)cc2)C1 ZINC001560297404 1060079887 /nfs/dbraw/zinc/07/98/87/1060079887.db2.gz CTVGZSABRBUQRI-GOSISDBHSA-N 1 3 300.490 4.166 20 0 DIADHO CCCOc1ccc(CN[C@H](CC[NH+](C)C)C(C)(C)C)c(C)c1 ZINC001560330087 1060115710 /nfs/dbraw/zinc/11/57/10/1060115710.db2.gz CJMNNTLDKFLFFL-LJQANCHMSA-N 1 3 320.521 4.240 20 0 DIADHO C[C@H](CC[NH2+]Cc1cc2ccccc2s1)N1CCCCC1 ZINC001560436879 1060226702 /nfs/dbraw/zinc/22/67/02/1060226702.db2.gz VMOMPKNQHGMXTN-OAHLLOKOSA-N 1 3 302.487 4.255 20 0 DIADHO CC(C)[NH+]1CCC(CCNCc2ccc(F)cc2Cl)CC1 ZINC001560548476 1060357177 /nfs/dbraw/zinc/35/71/77/1060357177.db2.gz PYKPJDSNFOCDFI-UHFFFAOYSA-N 1 3 312.860 4.079 20 0 DIADHO CC(C)C1CCC(CN[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC001560597075 1060409599 /nfs/dbraw/zinc/40/95/99/1060409599.db2.gz BBPFMPGQUCPCJC-QLOJAFMTSA-N 1 3 317.521 4.126 20 0 DIADHO Cc1coc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)c1 ZINC001560629113 1060441706 /nfs/dbraw/zinc/44/17/06/1060441706.db2.gz FRSFRIFEOGTJJV-NRFANRHFSA-N 1 3 324.468 4.076 20 0 DIADHO Cc1coc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)c1 ZINC001560629113 1060441709 /nfs/dbraw/zinc/44/17/09/1060441709.db2.gz FRSFRIFEOGTJJV-NRFANRHFSA-N 1 3 324.468 4.076 20 0 DIADHO CC(C)C[C@H](C)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001560703747 1060562234 /nfs/dbraw/zinc/56/22/34/1060562234.db2.gz LNRJGZODAFXROH-ZIBCJSCZSA-N 1 3 314.517 4.311 20 0 DIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CCCC4(CC4)C3)CC2)C1 ZINC001561024083 1060880941 /nfs/dbraw/zinc/88/09/41/1060880941.db2.gz IWPDWSDBMHBPEF-BHIYHBOVSA-N 1 3 304.522 4.342 20 0 DIADHO CN1CCCC[C@@H]1CC[N@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC001473191005 1060942729 /nfs/dbraw/zinc/94/27/29/1060942729.db2.gz CYWKTMRBVXNBPW-IEBWSBKVSA-N 1 3 304.453 4.009 20 0 DIADHO CN1CCCC[C@@H]1CC[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC001473191005 1060942736 /nfs/dbraw/zinc/94/27/36/1060942736.db2.gz CYWKTMRBVXNBPW-IEBWSBKVSA-N 1 3 304.453 4.009 20 0 DIADHO CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC[C@H](C)N(C)C ZINC001462466355 1061190820 /nfs/dbraw/zinc/19/08/20/1061190820.db2.gz JAVKOWCDSATXEB-YJBOKZPZSA-N 1 3 310.913 4.227 20 0 DIADHO CCN(CC)CC[C@H](C)[NH2+]Cc1ccc(F)c2ccccc12 ZINC001462672217 1061328198 /nfs/dbraw/zinc/32/81/98/1061328198.db2.gz JTVBUHALHQIPHE-HNNXBMFYSA-N 1 3 302.437 4.189 20 0 DIADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC001462673290 1061331517 /nfs/dbraw/zinc/33/15/17/1061331517.db2.gz LYRDLIRHWJACHA-HOTGVXAUSA-N 1 3 302.462 4.074 20 0 DIADHO CC1(C)[C@@H](c2ccccc2F)CCN1CCC[NH+]1CCCCC1 ZINC001473726953 1061374285 /nfs/dbraw/zinc/37/42/85/1061374285.db2.gz SSLUFXLHONONLP-GOSISDBHSA-N 1 3 318.480 4.270 20 0 DIADHO CC1(C)[C@H](c2ccccc2F)CCN1CCC[NH+]1CCCCC1 ZINC001473726954 1061375440 /nfs/dbraw/zinc/37/54/40/1061375440.db2.gz SSLUFXLHONONLP-SFHVURJKSA-N 1 3 318.480 4.270 20 0 DIADHO C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@@]23CN(C)C[C@]2(C1)CCCC3 ZINC001473900856 1061452540 /nfs/dbraw/zinc/45/25/40/1061452540.db2.gz HAOHKHHXCUPCDK-LZQZEXGQSA-N 1 3 318.892 4.209 20 0 DIADHO C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@]23CN(C)C[C@]2(C1)CCCC3 ZINC001473900856 1061452547 /nfs/dbraw/zinc/45/25/47/1061452547.db2.gz HAOHKHHXCUPCDK-LZQZEXGQSA-N 1 3 318.892 4.209 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CNCc1csc(C)c1C ZINC001473915511 1061463915 /nfs/dbraw/zinc/46/39/15/1061463915.db2.gz BTJPYAVWWXUYJE-UHFFFAOYSA-N 1 3 316.514 4.497 20 0 DIADHO c1ccc(CCCC[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC001473919675 1061468008 /nfs/dbraw/zinc/46/80/08/1061468008.db2.gz XJYQSPHUNGOVDH-UHFFFAOYSA-N 1 3 314.517 4.396 20 0 DIADHO Cc1ccc(CNCCCC[N@H+]2CCC[C@H](C)C2)c(Cl)c1 ZINC001473937116 1061483031 /nfs/dbraw/zinc/48/30/31/1061483031.db2.gz LVANMAROHGWAFT-INIZCTEOSA-N 1 3 308.897 4.250 20 0 DIADHO Cc1ccc(CNCCCC[N@@H+]2CCC[C@H](C)C2)c(Cl)c1 ZINC001473937116 1061483035 /nfs/dbraw/zinc/48/30/35/1061483035.db2.gz LVANMAROHGWAFT-INIZCTEOSA-N 1 3 308.897 4.250 20 0 DIADHO C[C@H]1CCC[N@H+](CCCCNCc2cc(Cl)ccc2F)C1 ZINC001473937090 1061483147 /nfs/dbraw/zinc/48/31/47/1061483147.db2.gz KVRUGJXYJGHJAY-AWEZNQCLSA-N 1 3 312.860 4.081 20 0 DIADHO C[C@H]1CCC[N@@H+](CCCCNCc2cc(Cl)ccc2F)C1 ZINC001473937090 1061483153 /nfs/dbraw/zinc/48/31/53/1061483153.db2.gz KVRUGJXYJGHJAY-AWEZNQCLSA-N 1 3 312.860 4.081 20 0 DIADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(C3CC3)c(C3CC3)c2)C1 ZINC001473964616 1061507227 /nfs/dbraw/zinc/50/72/27/1061507227.db2.gz GVZDCWWEJOPUKQ-KRWDZBQOSA-N 1 3 312.501 4.263 20 0 DIADHO CC[N@H+](C)Cc1cccc(CNCc2ccccc2C2CC2)c1 ZINC001473988208 1061531666 /nfs/dbraw/zinc/53/16/66/1061531666.db2.gz FYUYWDXEVBFWPK-UHFFFAOYSA-N 1 3 308.469 4.306 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CNCc2ccccc2C2CC2)c1 ZINC001473988208 1061531673 /nfs/dbraw/zinc/53/16/73/1061531673.db2.gz FYUYWDXEVBFWPK-UHFFFAOYSA-N 1 3 308.469 4.306 20 0 DIADHO CC[N@H+](C)Cc1cccc(CNCc2ccc3c(c2)CCCC3)c1 ZINC001473988870 1061532340 /nfs/dbraw/zinc/53/23/40/1061532340.db2.gz VNQLGZLWOZPEEM-UHFFFAOYSA-N 1 3 322.496 4.307 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc3c(c2)CCCC3)c1 ZINC001473988870 1061532362 /nfs/dbraw/zinc/53/23/62/1061532362.db2.gz VNQLGZLWOZPEEM-UHFFFAOYSA-N 1 3 322.496 4.307 20 0 DIADHO C[C@H](CC[NH2+]C[C@@H](C)CCc1ccccc1)N1CCCCC1 ZINC001474108746 1061658725 /nfs/dbraw/zinc/65/87/25/1061658725.db2.gz FQPBXCCECPJXEU-RBUKOAKNSA-N 1 3 302.506 4.109 20 0 DIADHO CC(C)c1ccc(O[C@H](C)CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001474142889 1061687459 /nfs/dbraw/zinc/68/74/59/1061687459.db2.gz IDMATZAUDGHYQW-AEFFLSMTSA-N 1 3 318.505 4.040 20 0 DIADHO CC(C)c1ccc(O[C@H](C)CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001474142889 1061687467 /nfs/dbraw/zinc/68/74/67/1061687467.db2.gz IDMATZAUDGHYQW-AEFFLSMTSA-N 1 3 318.505 4.040 20 0 DIADHO CN1CCCC[C@@H](C[NH2+]Cc2cc(-c3ccccc3)cs2)C1 ZINC001474210286 1061766443 /nfs/dbraw/zinc/76/64/43/1061766443.db2.gz OYDKSJMRHLPTGH-INIZCTEOSA-N 1 3 314.498 4.237 20 0 DIADHO CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC001474223099 1061783168 /nfs/dbraw/zinc/78/31/68/1061783168.db2.gz BTYJEGDMYNUHGS-XUVXKRRUSA-N 1 3 306.538 4.303 20 0 DIADHO CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC001474223097 1061784222 /nfs/dbraw/zinc/78/42/22/1061784222.db2.gz BTYJEGDMYNUHGS-SLFFLAALSA-N 1 3 306.538 4.303 20 0 DIADHO Cc1cc(C)cc(-c2ccc(C[NH2+]CC[C@@H](C)N(C)C)cc2)c1 ZINC001474223465 1061784616 /nfs/dbraw/zinc/78/46/16/1061784616.db2.gz JKKSOPPHFWBWBQ-GOSISDBHSA-N 1 3 310.485 4.400 20 0 DIADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC001253094563 1061797570 /nfs/dbraw/zinc/79/75/70/1061797570.db2.gz FFYSAOGFGTVYCW-ROUUACIJSA-N 1 3 323.484 4.131 20 0 DIADHO CC[N@@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC001253094563 1061797591 /nfs/dbraw/zinc/79/75/91/1061797591.db2.gz FFYSAOGFGTVYCW-ROUUACIJSA-N 1 3 323.484 4.131 20 0 DIADHO CC[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC001253094563 1061797614 /nfs/dbraw/zinc/79/76/14/1061797614.db2.gz FFYSAOGFGTVYCW-ROUUACIJSA-N 1 3 323.484 4.131 20 0 DIADHO CC(C)CCN1CCC([NH2+][C@H]2c3ccccc3CC[C@H]2C)CC1 ZINC001474393297 1062047476 /nfs/dbraw/zinc/04/74/76/1062047476.db2.gz NHJSFWFJXWXDCB-DYESRHJHSA-N 1 3 314.517 4.410 20 0 DIADHO CC(C)CC[NH+]1CCC(N[C@H]2c3ccccc3CC[C@H]2C)CC1 ZINC001474393297 1062047494 /nfs/dbraw/zinc/04/74/94/1062047494.db2.gz NHJSFWFJXWXDCB-DYESRHJHSA-N 1 3 314.517 4.410 20 0 DIADHO CC[C@H](C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccccc1 ZINC001474436105 1062112281 /nfs/dbraw/zinc/11/22/81/1062112281.db2.gz WCCKPJKMGVDPNZ-QWFCFKBJSA-N 1 3 314.517 4.423 20 0 DIADHO CC[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccccc1 ZINC001474436103 1062112416 /nfs/dbraw/zinc/11/24/16/1062112416.db2.gz WCCKPJKMGVDPNZ-NLWGTHIKSA-N 1 3 314.517 4.423 20 0 DIADHO CN1CCC2(CCC[N@@H+]2Cc2ccc(C3CCCC3)cc2)CC1 ZINC001474443883 1062121464 /nfs/dbraw/zinc/12/14/64/1062121464.db2.gz AFIIYGLZLKEWMG-UHFFFAOYSA-N 1 3 312.501 4.404 20 0 DIADHO CN1CCC2(CCC[N@H+]2Cc2ccc(C3CCCC3)cc2)CC1 ZINC001474443883 1062121470 /nfs/dbraw/zinc/12/14/70/1062121470.db2.gz AFIIYGLZLKEWMG-UHFFFAOYSA-N 1 3 312.501 4.404 20 0 DIADHO CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC001254488469 1062132291 /nfs/dbraw/zinc/13/22/91/1062132291.db2.gz WIQSXRYDJSTWIR-AQNXPRMDSA-N 1 3 302.506 4.250 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[NH+]1CCC(N(C)C2CC2)CC1 ZINC001254497520 1062137877 /nfs/dbraw/zinc/13/78/77/1062137877.db2.gz DBKICWBMHBWBON-NRFANRHFSA-N 1 3 314.517 4.347 20 0 DIADHO CCC[C@H](CCc1ccccc1)[NH+]1C[C@H]2CN(CCC)C[C@@H]2C1 ZINC001254497422 1062138705 /nfs/dbraw/zinc/13/87/05/1062138705.db2.gz CGOBCRBXSAZEAC-NJDAHSKKSA-N 1 3 314.517 4.062 20 0 DIADHO CCC[C@H](CCc1ccccc1)[NH+]1CCC(N(C)CC)CC1 ZINC001254497975 1062143091 /nfs/dbraw/zinc/14/30/91/1062143091.db2.gz GHEWLJSSZSZWHK-HXUWFJFHSA-N 1 3 302.506 4.204 20 0 DIADHO CCC[C@H](CCc1ccccc1)N1CCC([N@H+](C)CC)CC1 ZINC001254497975 1062143105 /nfs/dbraw/zinc/14/31/05/1062143105.db2.gz GHEWLJSSZSZWHK-HXUWFJFHSA-N 1 3 302.506 4.204 20 0 DIADHO CCC[C@H](CCc1ccccc1)N1CCC([N@@H+](C)CC)CC1 ZINC001254497975 1062143122 /nfs/dbraw/zinc/14/31/22/1062143122.db2.gz GHEWLJSSZSZWHK-HXUWFJFHSA-N 1 3 302.506 4.204 20 0 DIADHO CN1CCC[C@@H]([NH2+][C@H](CC2CCC2)c2ccccc2F)CC1 ZINC001254507454 1062150199 /nfs/dbraw/zinc/15/01/99/1062150199.db2.gz CELUBNWCUGPNEY-VQIMIIECSA-N 1 3 304.453 4.131 20 0 DIADHO CN(C(c1ccccc1)c1ccccc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254515863 1062157194 /nfs/dbraw/zinc/15/71/94/1062157194.db2.gz FLTKPQJHVLDKMN-HXUWFJFHSA-N 1 3 308.469 4.192 20 0 DIADHO CN(C(c1ccccc1)c1ccccc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254515863 1062157203 /nfs/dbraw/zinc/15/72/03/1062157203.db2.gz FLTKPQJHVLDKMN-HXUWFJFHSA-N 1 3 308.469 4.192 20 0 DIADHO CC[N@H+](CCCN1CCCC1)Cc1cccc(CC2CCC2)c1 ZINC001474501319 1062180531 /nfs/dbraw/zinc/18/05/31/1062180531.db2.gz VUSCZYMOZVIQPC-UHFFFAOYSA-N 1 3 314.517 4.337 20 0 DIADHO CC[N@@H+](CCCN1CCCC1)Cc1cccc(CC2CCC2)c1 ZINC001474501319 1062180538 /nfs/dbraw/zinc/18/05/38/1062180538.db2.gz VUSCZYMOZVIQPC-UHFFFAOYSA-N 1 3 314.517 4.337 20 0 DIADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(C3CCCC3)cc2)C1 ZINC001474506046 1062187926 /nfs/dbraw/zinc/18/79/26/1062187926.db2.gz ZPBRPNKUARFRNG-SFTDATJTSA-N 1 3 312.501 4.260 20 0 DIADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(C3CCCC3)cc2)C1 ZINC001474506046 1062187935 /nfs/dbraw/zinc/18/79/35/1062187935.db2.gz ZPBRPNKUARFRNG-SFTDATJTSA-N 1 3 312.501 4.260 20 0 DIADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(C3CCCC3)cc2)C1 ZINC001474506046 1062187940 /nfs/dbraw/zinc/18/79/40/1062187940.db2.gz ZPBRPNKUARFRNG-SFTDATJTSA-N 1 3 312.501 4.260 20 0 DIADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(C3CCCC3)cc2)C1 ZINC001474506046 1062187946 /nfs/dbraw/zinc/18/79/46/1062187946.db2.gz ZPBRPNKUARFRNG-SFTDATJTSA-N 1 3 312.501 4.260 20 0 DIADHO CC(C)CCN1CCC([NH2+]CC[C@H]2CCc3ccccc32)CC1 ZINC001474553341 1062249321 /nfs/dbraw/zinc/24/93/21/1062249321.db2.gz ZVBYAEXUDXSUMT-LJQANCHMSA-N 1 3 314.517 4.207 20 0 DIADHO C[C@H]1CC(CCN2CC[C@@H](C[N@H+](C)CC3CC3)C2)C[C@H](C)C1 ZINC001459625540 1062260915 /nfs/dbraw/zinc/26/09/15/1062260915.db2.gz TVWVEUZDBHMPHB-HLIPFELVSA-N 1 3 306.538 4.113 20 0 DIADHO C[C@H]1CC(CCN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C[C@H](C)C1 ZINC001459625540 1062260936 /nfs/dbraw/zinc/26/09/36/1062260936.db2.gz TVWVEUZDBHMPHB-HLIPFELVSA-N 1 3 306.538 4.113 20 0 DIADHO C[C@H]1CC(CCN2CC[C@H](C[N@H+](C)CC3CC3)C2)C[C@H](C)C1 ZINC001459625549 1062261573 /nfs/dbraw/zinc/26/15/73/1062261573.db2.gz TVWVEUZDBHMPHB-MBOZVWFJSA-N 1 3 306.538 4.113 20 0 DIADHO C[C@H]1CC(CCN2CC[C@H](C[N@@H+](C)CC3CC3)C2)C[C@H](C)C1 ZINC001459625549 1062261595 /nfs/dbraw/zinc/26/15/95/1062261595.db2.gz TVWVEUZDBHMPHB-MBOZVWFJSA-N 1 3 306.538 4.113 20 0 DIADHO c1ccc(CN2CCCC[C@H](C[NH2+][C@@H]3C[C@@H]4CCC[C@H]34)C2)cc1 ZINC001474565021 1062268184 /nfs/dbraw/zinc/26/81/84/1062268184.db2.gz PHTJEFQBNCLJPU-IVAOSVALSA-N 1 3 312.501 4.067 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C[C@@]2(c3ccccc3)CC2(C)C)CC1 ZINC001474639646 1062362960 /nfs/dbraw/zinc/36/29/60/1062362960.db2.gz LBICHPXHHUAFFF-OAQYLSRUSA-N 1 3 314.517 4.207 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC001474644814 1062372082 /nfs/dbraw/zinc/37/20/82/1062372082.db2.gz CAHVDHJYFCKHGK-SFTDATJTSA-N 1 3 314.517 4.109 20 0 DIADHO Cc1ccsc1CN[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255382189 1062425299 /nfs/dbraw/zinc/42/52/99/1062425299.db2.gz SSKDJEJITGXNEO-SFHVURJKSA-N 1 3 314.498 4.201 20 0 DIADHO Cc1ccsc1CN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255382189 1062425316 /nfs/dbraw/zinc/42/53/16/1062425316.db2.gz SSKDJEJITGXNEO-SFHVURJKSA-N 1 3 314.498 4.201 20 0 DIADHO Cc1cccc(CN(C)[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC001255397819 1062432778 /nfs/dbraw/zinc/43/27/78/1062432778.db2.gz HMRVSQCWIQYNCJ-JOCHJYFZSA-N 1 3 322.496 4.482 20 0 DIADHO Cc1cccc(CN(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255397819 1062432792 /nfs/dbraw/zinc/43/27/92/1062432792.db2.gz HMRVSQCWIQYNCJ-JOCHJYFZSA-N 1 3 322.496 4.482 20 0 DIADHO c1ccc(C[N@H+]2CCC[C@H](N3CC4(C3)CCCCC4)CC2)cc1 ZINC001255408308 1062438819 /nfs/dbraw/zinc/43/88/19/1062438819.db2.gz KCWPJRVCOYZBLV-FQEVSTJZSA-N 1 3 312.501 4.307 20 0 DIADHO c1ccc(C[N@@H+]2CCC[C@H](N3CC4(C3)CCCCC4)CC2)cc1 ZINC001255408308 1062438804 /nfs/dbraw/zinc/43/88/04/1062438804.db2.gz KCWPJRVCOYZBLV-FQEVSTJZSA-N 1 3 312.501 4.307 20 0 DIADHO NCCC[N@H+](C1CCCCC1)C1CCC(C(F)(F)F)CC1 ZINC001255506878 1062465094 /nfs/dbraw/zinc/46/50/94/1062465094.db2.gz INGNOBOFEYGCFW-UHFFFAOYSA-N 1 3 306.416 4.091 20 0 DIADHO NCCC[N@@H+](C1CCCCC1)C1CCC(C(F)(F)F)CC1 ZINC001255506878 1062465102 /nfs/dbraw/zinc/46/51/02/1062465102.db2.gz INGNOBOFEYGCFW-UHFFFAOYSA-N 1 3 306.416 4.091 20 0 DIADHO Cc1cc([C@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1Cl ZINC001255670131 1062509944 /nfs/dbraw/zinc/50/99/44/1062509944.db2.gz PHVUBAFBWNQMJY-LNRIEFBSSA-N 1 3 306.881 4.314 20 0 DIADHO Cc1cc([C@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1Cl ZINC001255670131 1062509966 /nfs/dbraw/zinc/50/99/66/1062509966.db2.gz PHVUBAFBWNQMJY-LNRIEFBSSA-N 1 3 306.881 4.314 20 0 DIADHO Cc1cc(Cl)ccc1[C@@H](C)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255671359 1062512615 /nfs/dbraw/zinc/51/26/15/1062512615.db2.gz KTIYZENOISBWBO-HZTRTUMWSA-N 1 3 306.881 4.314 20 0 DIADHO Cc1cc(Cl)ccc1[C@@H](C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255671359 1062512637 /nfs/dbraw/zinc/51/26/37/1062512637.db2.gz KTIYZENOISBWBO-HZTRTUMWSA-N 1 3 306.881 4.314 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC001255694398 1062520524 /nfs/dbraw/zinc/52/05/24/1062520524.db2.gz OHNXJUYCOYYXSL-OLZOCXBDSA-N 1 3 320.443 4.349 20 0 DIADHO CCCCN(C)CCC[NH2+][C@H](C)CSc1ccc(F)cc1 ZINC001255731374 1062554138 /nfs/dbraw/zinc/55/41/38/1062554138.db2.gz KSOMMZVLDKUBAE-OAHLLOKOSA-N 1 3 312.498 4.018 20 0 DIADHO Cc1ccc(SC[C@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC001255756251 1062578602 /nfs/dbraw/zinc/57/86/02/1062578602.db2.gz PTOYWDAWKKACFL-KRWDZBQOSA-N 1 3 320.546 4.186 20 0 DIADHO Cc1ccc(SC[C@H](C)NC2CC[NH+](CC(C)C)CC2)cc1 ZINC001255756251 1062578623 /nfs/dbraw/zinc/57/86/23/1062578623.db2.gz PTOYWDAWKKACFL-KRWDZBQOSA-N 1 3 320.546 4.186 20 0 DIADHO Cc1ccc(C[C@H](C)N[C@H](CC[NH+](C)C)c2ccccc2)cc1 ZINC001255772156 1062597458 /nfs/dbraw/zinc/59/74/58/1062597458.db2.gz GALVXBDPMBRAGH-GHTZIAJQSA-N 1 3 310.485 4.209 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001255872368 1062647459 /nfs/dbraw/zinc/64/74/59/1062647459.db2.gz IIQJPGWVBFTBGY-PXNSSMCTSA-N 1 3 318.480 4.097 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001255872368 1062647466 /nfs/dbraw/zinc/64/74/66/1062647466.db2.gz IIQJPGWVBFTBGY-PXNSSMCTSA-N 1 3 318.480 4.097 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001255872368 1062647474 /nfs/dbraw/zinc/64/74/74/1062647474.db2.gz IIQJPGWVBFTBGY-PXNSSMCTSA-N 1 3 318.480 4.097 20 0 DIADHO Fc1ccccc1CN1CCC(C[NH2+]C2CCCCCC2)CC1 ZINC001255882778 1062655002 /nfs/dbraw/zinc/65/50/02/1062655002.db2.gz IVHWWITYWKIVCD-UHFFFAOYSA-N 1 3 318.480 4.350 20 0 DIADHO c1ccc(CN2CC3(C2)CC[NH+](C2CCCCCC2)CC3)cc1 ZINC001255892066 1062658412 /nfs/dbraw/zinc/65/84/12/1062658412.db2.gz BMYYFHDFISMFAE-UHFFFAOYSA-N 1 3 312.501 4.307 20 0 DIADHO CC[NH+](CC)CC[C@@H](C)NC1(Cc2ccccc2F)CCC1 ZINC001255953378 1062669078 /nfs/dbraw/zinc/66/90/78/1062669078.db2.gz QMOHVPCGFBBUIB-MRXNPFEDSA-N 1 3 306.469 4.001 20 0 DIADHO CCN(CC)CC[C@@H](C)[NH2+]C1(Cc2ccccc2F)CCC1 ZINC001255953378 1062669089 /nfs/dbraw/zinc/66/90/89/1062669089.db2.gz QMOHVPCGFBBUIB-MRXNPFEDSA-N 1 3 306.469 4.001 20 0 DIADHO CC(C)CC[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001256358683 1062786220 /nfs/dbraw/zinc/78/62/20/1062786220.db2.gz IHTJZDAVEZJJQX-QGZVFWFLSA-N 1 3 320.496 4.452 20 0 DIADHO C[C@H]1C[C@@H](N2CC3(C2)CCCCC3)CC[N@@H+]1Cc1ccccc1 ZINC001256553994 1062878151 /nfs/dbraw/zinc/87/81/51/1062878151.db2.gz MYZHTRJUKJNYGK-ICSRJNTNSA-N 1 3 312.501 4.306 20 0 DIADHO C[C@H]1C[C@@H](N2CC3(C2)CCCCC3)CC[N@H+]1Cc1ccccc1 ZINC001256553994 1062878172 /nfs/dbraw/zinc/87/81/72/1062878172.db2.gz MYZHTRJUKJNYGK-ICSRJNTNSA-N 1 3 312.501 4.306 20 0 DIADHO CC(C)(C)[NH+]1CCC(NC2(c3ccccc3)CCCC2)CC1 ZINC001256558089 1062884780 /nfs/dbraw/zinc/88/47/80/1062884780.db2.gz IEFXDFGGLAWWLH-UHFFFAOYSA-N 1 3 300.490 4.308 20 0 DIADHO CC(C)(C)[NH+]1CCC(N[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC001256561859 1062885273 /nfs/dbraw/zinc/88/52/73/1062885273.db2.gz IDBJUCDKPFQTAV-IRXDYDNUSA-N 1 3 306.881 4.048 20 0 DIADHO CC(C)c1ccc(CC[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC001256565301 1062887827 /nfs/dbraw/zinc/88/78/27/1062887827.db2.gz CVQYQKXVYOPCSO-UHFFFAOYSA-N 1 3 302.506 4.205 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC001256567563 1062891337 /nfs/dbraw/zinc/89/13/37/1062891337.db2.gz WEDDNMPHMAJGBA-SFHVURJKSA-N 1 3 322.443 4.195 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@@H](c2cccc(F)c2)C2CC2)CC1 ZINC001256565907 1062891816 /nfs/dbraw/zinc/89/18/16/1062891816.db2.gz BXKURJSSNQHMHS-GOSISDBHSA-N 1 3 304.453 4.129 20 0 DIADHO Cc1cccc([C@@H]2CCCN2C2CC[NH+](C(C)(C)C)CC2)c1 ZINC001256568913 1062893737 /nfs/dbraw/zinc/89/37/37/1062893737.db2.gz KPXWHYYOXDZLJG-IBGZPJMESA-N 1 3 300.490 4.395 20 0 DIADHO CC1CCN(CC[C@H]2CCC[N@@H+]2C[C@H]2CCC(F)(F)C2)CC1 ZINC001460624330 1062941831 /nfs/dbraw/zinc/94/18/31/1062941831.db2.gz BLFDFFUWYQMJDA-DLBZAZTESA-N 1 3 314.464 4.008 20 0 DIADHO CC1CCN(CC[C@H]2CCC[N@H+]2C[C@H]2CCC(F)(F)C2)CC1 ZINC001460624330 1062941847 /nfs/dbraw/zinc/94/18/47/1062941847.db2.gz BLFDFFUWYQMJDA-DLBZAZTESA-N 1 3 314.464 4.008 20 0 DIADHO CCC1CCC(N2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001256869455 1063023923 /nfs/dbraw/zinc/02/39/23/1063023923.db2.gz JLZQTEZWARAFAG-UHFFFAOYSA-N 1 3 304.453 4.044 20 0 DIADHO CCC[C@@H](CC)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001257265438 1063170545 /nfs/dbraw/zinc/17/05/45/1063170545.db2.gz DREBPNQYLWFGHX-LJQANCHMSA-N 1 3 300.490 4.163 20 0 DIADHO CCC[C@H](C)[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001257310249 1063197241 /nfs/dbraw/zinc/19/72/41/1063197241.db2.gz AIBXXQAPDJVNMU-HNNXBMFYSA-N 1 3 308.897 4.330 20 0 DIADHO Cc1cc(C)c(/C=C\C[NH2+]C2CCN(CC(C)C)CC2)c(C)c1 ZINC001461033481 1063202719 /nfs/dbraw/zinc/20/27/19/1063202719.db2.gz XZVUPHJEALRMRE-SREVYHEPSA-N 1 3 314.517 4.335 20 0 DIADHO CCC[C@H](C)CC[C@@H](C)[NH+]1CCC(N(CC)[C@@H]2CCOC2)CC1 ZINC001257480294 1063300212 /nfs/dbraw/zinc/30/02/12/1063300212.db2.gz CZGZCGKCVCQPAV-NLWGTHIKSA-N 1 3 324.553 4.167 20 0 DIADHO CCC[C@H](C)CC[C@@H](C)N1CCC([NH+]2CCC(F)CC2)CC1 ZINC001257482826 1063305851 /nfs/dbraw/zinc/30/58/51/1063305851.db2.gz TUTDIAHSWDSQME-DLBZAZTESA-N 1 3 312.517 4.490 20 0 DIADHO CCSc1cccc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC001461188726 1063319520 /nfs/dbraw/zinc/31/95/20/1063319520.db2.gz CBCOCKYHOFOAPU-KRWDZBQOSA-N 1 3 308.535 4.255 20 0 DIADHO CC(C)C[C@@H]1CCC[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001461234703 1063354534 /nfs/dbraw/zinc/35/45/34/1063354534.db2.gz UFBAQFZIXJFKGK-YRPNKDGESA-N 1 3 324.553 4.070 20 0 DIADHO C/C(=C\c1ccc(Cl)cc1)CN[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001461257808 1063368535 /nfs/dbraw/zinc/36/85/35/1063368535.db2.gz RKCJBFRJWFLSCJ-DESUXHOBSA-N 1 3 306.881 4.206 20 0 DIADHO CCC[N@H+](CCCN1CCCCC1)[C@H](C)c1ccccc1OC ZINC001473126017 1063430885 /nfs/dbraw/zinc/43/08/85/1063430885.db2.gz AMEYCBUGXBWMQR-GOSISDBHSA-N 1 3 318.505 4.344 20 0 DIADHO CCC[N@@H+](CCCN1CCCCC1)[C@H](C)c1ccccc1OC ZINC001473126017 1063430891 /nfs/dbraw/zinc/43/08/91/1063430891.db2.gz AMEYCBUGXBWMQR-GOSISDBHSA-N 1 3 318.505 4.344 20 0 DIADHO CCN(Cc1ccc(C)c(C)c1)C1CC[NH+](CC(C)C)CC1 ZINC001258017932 1063466818 /nfs/dbraw/zinc/46/68/18/1063466818.db2.gz IAIUXDWZGFMYCU-UHFFFAOYSA-N 1 3 302.506 4.246 20 0 DIADHO CC(C)C[C@@H](C)C[C@@H](C)N1CCC([NH3+])(c2ccccc2)CC1 ZINC001258062476 1063490473 /nfs/dbraw/zinc/49/04/73/1063490473.db2.gz QARAUKZBWXUAJW-QZTJIDSGSA-N 1 3 302.506 4.397 20 0 DIADHO COC1CC[NH+](C2CCN([C@@H](C)C[C@H](C)CC(C)C)CC2)CC1 ZINC001258073351 1063500661 /nfs/dbraw/zinc/50/06/61/1063500661.db2.gz CEIMFBBEQJJOIO-MSOLQXFVSA-N 1 3 324.553 4.022 20 0 DIADHO CC(C)=CCC[C@H](C)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001258086711 1063511207 /nfs/dbraw/zinc/51/12/07/1063511207.db2.gz YDBLAZUSEKAPMC-SFHVURJKSA-N 1 3 315.505 4.018 20 0 DIADHO COc1cccc(C2([NH3+])CCN([C@@H](C)CCC=C(C)C)CC2)c1 ZINC001258088857 1063514053 /nfs/dbraw/zinc/51/40/53/1063514053.db2.gz WUWGDEGVMNJNOR-KRWDZBQOSA-N 1 3 316.489 4.080 20 0 DIADHO Cc1cc(C)cc(CNC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001258131454 1063528751 /nfs/dbraw/zinc/52/87/51/1063528751.db2.gz KBFLPICGBMXQHD-UHFFFAOYSA-N 1 3 322.496 4.100 20 0 DIADHO C[C@H]1C[C@H]([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)C[C@@H](C)C1 ZINC001258162681 1063539640 /nfs/dbraw/zinc/53/96/40/1063539640.db2.gz KLGGPXFRELXCEX-HLNWXESRSA-N 1 3 304.522 4.221 20 0 DIADHO C[C@@H](C[NH2+]Cc1ccc(Sc2ccccc2)cc1)CN(C)C ZINC001461540120 1063569214 /nfs/dbraw/zinc/56/92/14/1063569214.db2.gz NDOCICWKIAFKSP-INIZCTEOSA-N 1 3 314.498 4.125 20 0 DIADHO CC(C)(C)C1CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC001461666454 1063646765 /nfs/dbraw/zinc/64/67/65/1063646765.db2.gz XOBREFQDAZVKES-VIQWUECVSA-N 1 3 306.538 4.303 20 0 DIADHO CCCC1CCC(N2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001258529945 1063684722 /nfs/dbraw/zinc/68/47/22/1063684722.db2.gz GGEDTKOAXZGUFU-UHFFFAOYSA-N 1 3 318.480 4.434 20 0 DIADHO CCCC1CCC(N2CCC([NH3+])(c3ccc(F)cc3)CC2)CC1 ZINC001258530068 1063685398 /nfs/dbraw/zinc/68/53/98/1063685398.db2.gz HSQQDVQSKKARSQ-UHFFFAOYSA-N 1 3 318.480 4.434 20 0 DIADHO C[C@@H](Cc1cccc(Cl)c1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001258741052 1063790540 /nfs/dbraw/zinc/79/05/40/1063790540.db2.gz FWXOTCDSWLSNIB-HNNXBMFYSA-N 1 3 320.908 4.268 20 0 DIADHO CCC(CC)[N@@H+]1CC[C@H](N[C@@H](C)Cc2cccc(Cl)c2)C1 ZINC001258741189 1063790879 /nfs/dbraw/zinc/79/08/79/1063790879.db2.gz GULPHXUCDTYAGH-YOEHRIQHSA-N 1 3 308.897 4.124 20 0 DIADHO CCC(CC)[N@H+]1CC[C@H](N[C@@H](C)Cc2cccc(Cl)c2)C1 ZINC001258741189 1063790886 /nfs/dbraw/zinc/79/08/86/1063790886.db2.gz GULPHXUCDTYAGH-YOEHRIQHSA-N 1 3 308.897 4.124 20 0 DIADHO C[C@@H](c1nccc2ccccc21)[N@H+](C)CC[C@@H]1CCCCN1C ZINC001461921456 1063806134 /nfs/dbraw/zinc/80/61/34/1063806134.db2.gz OTHUZALDSIHHEE-WMZOPIPTSA-N 1 3 311.473 4.102 20 0 DIADHO C[C@@H](c1nccc2ccccc21)[N@@H+](C)CC[C@@H]1CCCCN1C ZINC001461921456 1063806158 /nfs/dbraw/zinc/80/61/58/1063806158.db2.gz OTHUZALDSIHHEE-WMZOPIPTSA-N 1 3 311.473 4.102 20 0 DIADHO CCC[NH+]1CCC(NC2(c3cccc(F)c3)CCCCC2)CC1 ZINC001258769200 1063813309 /nfs/dbraw/zinc/81/33/09/1063813309.db2.gz GUZXPEMQMZRQCH-UHFFFAOYSA-N 1 3 318.480 4.449 20 0 DIADHO C[C@@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001258815396 1063845526 /nfs/dbraw/zinc/84/55/26/1063845526.db2.gz WCBRUOIASLWDPD-VQIMIIECSA-N 1 3 318.480 4.206 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)NCc1c(F)ccc(F)c1Cl ZINC001258898971 1063874844 /nfs/dbraw/zinc/87/48/44/1063874844.db2.gz ZTKLITVYIHGRKF-LBPRGKRZSA-N 1 3 318.839 4.218 20 0 DIADHO Cc1ccc(CC[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1C ZINC001462079491 1063919378 /nfs/dbraw/zinc/91/93/78/1063919378.db2.gz JKCFAMXTCNIPBM-UYAOXDASSA-N 1 3 314.517 4.089 20 0 DIADHO C[C@@H](CC[NH2+][C@@H]1CCc2cccc(Cl)c2C1)N1CCCCC1 ZINC001462081780 1063919964 /nfs/dbraw/zinc/91/99/64/1063919964.db2.gz GZXRVRXRFUXYTR-DOTOQJQBSA-N 1 3 320.908 4.051 20 0 DIADHO Cc1cccc(C)c1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379628058 1063985212 /nfs/dbraw/zinc/98/52/12/1063985212.db2.gz IOFGYHZQIVKXKW-FPOVZHCZSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1cccc(C)c1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379628058 1063985219 /nfs/dbraw/zinc/98/52/19/1063985219.db2.gz IOFGYHZQIVKXKW-FPOVZHCZSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1 ZINC000379637580 1063985648 /nfs/dbraw/zinc/98/56/48/1063985648.db2.gz SMXOWCWZQJJGMJ-KNQAVFIVSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1 ZINC000379637580 1063985655 /nfs/dbraw/zinc/98/56/55/1063985655.db2.gz SMXOWCWZQJJGMJ-KNQAVFIVSA-N 1 3 322.496 4.446 20 0 DIADHO CCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379638979 1063985820 /nfs/dbraw/zinc/98/58/20/1063985820.db2.gz VFCXYQNJNHMBOK-AVRDEDQJSA-N 1 3 322.496 4.392 20 0 DIADHO CCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379638979 1063985826 /nfs/dbraw/zinc/98/58/26/1063985826.db2.gz VFCXYQNJNHMBOK-AVRDEDQJSA-N 1 3 322.496 4.392 20 0 DIADHO C[NH2+][C@@]12CC[C@@](NCc3ccc(CC(C)C)cc3)(C1)CCC2 ZINC001279417724 1064348268 /nfs/dbraw/zinc/34/82/68/1064348268.db2.gz MROMCNRLMOFQNF-VQTJNVASSA-N 1 3 300.490 4.040 20 0 DIADHO CC/C=C\CC[NH+]1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001279520320 1064353471 /nfs/dbraw/zinc/35/34/71/1064353471.db2.gz FVGBNXPWIHFJQB-ARJAWSKDSA-N 1 3 318.427 4.083 20 0 DIADHO C[N@@H+]1CCC[C@@]2(CCCN(Cc3ccc4cccccc3-4)C2)C1 ZINC001279694411 1064363681 /nfs/dbraw/zinc/36/36/81/1064363681.db2.gz YEDJNYMMBSIAHJ-OAQYLSRUSA-N 1 3 308.469 4.099 20 0 DIADHO C[N@H+]1CCC[C@@]2(CCCN(Cc3ccc4cccccc3-4)C2)C1 ZINC001279694411 1064363692 /nfs/dbraw/zinc/36/36/92/1064363692.db2.gz YEDJNYMMBSIAHJ-OAQYLSRUSA-N 1 3 308.469 4.099 20 0 DIADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC001307477725 1065422800 /nfs/dbraw/zinc/42/28/00/1065422800.db2.gz NJFAUHLMXASUTG-CUDHKJQZSA-N 1 3 304.522 4.009 20 0 DIADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC001307477725 1065422806 /nfs/dbraw/zinc/42/28/06/1065422806.db2.gz NJFAUHLMXASUTG-CUDHKJQZSA-N 1 3 304.522 4.009 20 0 DIADHO CCc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC001307680619 1065558036 /nfs/dbraw/zinc/55/80/36/1065558036.db2.gz JCVNPUNUPMDYJZ-IBGZPJMESA-N 1 3 310.485 4.318 20 0 DIADHO CCc1ccc2ccccc2c1C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC001307680619 1065558047 /nfs/dbraw/zinc/55/80/47/1065558047.db2.gz JCVNPUNUPMDYJZ-IBGZPJMESA-N 1 3 310.485 4.318 20 0 DIADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2C[C@H]2CCCC[C@@H]2C)CC1 ZINC001308001742 1065719634 /nfs/dbraw/zinc/71/96/34/1065719634.db2.gz HCWHZUOJADDBPY-ZCNNSNEGSA-N 1 3 306.538 4.399 20 0 DIADHO CC1CCN(CC[C@@H]2CCC[N@H+]2C[C@H]2CCCC[C@@H]2C)CC1 ZINC001308001742 1065719646 /nfs/dbraw/zinc/71/96/46/1065719646.db2.gz HCWHZUOJADDBPY-ZCNNSNEGSA-N 1 3 306.538 4.399 20 0 DIADHO Cc1cc(C)c(/C=C/C[NH2+]C2CCN(CC3CC3)CC2)cc1C ZINC001308208231 1065816768 /nfs/dbraw/zinc/81/67/68/1065816768.db2.gz NCULFPZTLAVUCA-SNAWJCMRSA-N 1 3 312.501 4.089 20 0 DIADHO C[C@H]1C[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C[C@@H](C)C1 ZINC001308238198 1065845018 /nfs/dbraw/zinc/84/50/18/1065845018.db2.gz UHSPFIMWUYRBGK-YRWFTTLQSA-N 1 3 306.538 4.445 20 0 DIADHO C[C@H]1CCC[C@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001308250585 1065853520 /nfs/dbraw/zinc/85/35/20/1065853520.db2.gz GAMGYMCIKFRLQP-HNAYVOBHSA-N 1 3 320.908 4.330 20 0 DIADHO C[C@@H](CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1)N(C)C ZINC001308479082 1066019031 /nfs/dbraw/zinc/01/90/31/1066019031.db2.gz MLZLJIBUZVMWNN-ZDUSSCGKSA-N 1 3 322.905 4.498 20 0 DIADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc(CC3CCC3)c2)[C@H](C)C1 ZINC001308567731 1066079530 /nfs/dbraw/zinc/07/95/30/1066079530.db2.gz KLEJUFXXJDBNER-UTKZUKDTSA-N 1 3 314.517 4.191 20 0 DIADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc(CC3CCC3)c2)[C@H](C)C1 ZINC001308567731 1066079541 /nfs/dbraw/zinc/07/95/41/1066079541.db2.gz KLEJUFXXJDBNER-UTKZUKDTSA-N 1 3 314.517 4.191 20 0 DIADHO CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC001308589571 1066103243 /nfs/dbraw/zinc/10/32/43/1066103243.db2.gz HBCCEMCRJPGIPU-HBMCJLEFSA-N 1 3 318.549 4.423 20 0 DIADHO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC001308589571 1066103245 /nfs/dbraw/zinc/10/32/45/1066103245.db2.gz HBCCEMCRJPGIPU-HBMCJLEFSA-N 1 3 318.549 4.423 20 0 DIADHO CCCC[N@H+](C)CC1CCN(Cc2c(F)cccc2CC)CC1 ZINC001308604921 1066113476 /nfs/dbraw/zinc/11/34/76/1066113476.db2.gz BXDZQDLXZCZXSH-UHFFFAOYSA-N 1 3 320.496 4.332 20 0 DIADHO CCCC[N@@H+](C)CC1CCN(Cc2c(F)cccc2CC)CC1 ZINC001308604921 1066113479 /nfs/dbraw/zinc/11/34/79/1066113479.db2.gz BXDZQDLXZCZXSH-UHFFFAOYSA-N 1 3 320.496 4.332 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)C1CCC1 ZINC001308634047 1066129060 /nfs/dbraw/zinc/12/90/60/1066129060.db2.gz DGOASYGZTKDGFJ-LLUDDFSJSA-N 1 3 312.501 4.065 20 0 DIADHO CCCN(CCC[NH+](C)C)CCc1cc(Cl)cc(Cl)c1 ZINC001308745513 1066219226 /nfs/dbraw/zinc/21/92/26/1066219226.db2.gz YYDGYKHVGKCZOM-UHFFFAOYSA-N 1 3 317.304 4.200 20 0 DIADHO CC[N@H+](CCCNCCc1ccc(C)c(C)c1)C1CCCCC1 ZINC001308851002 1066329185 /nfs/dbraw/zinc/32/91/85/1066329185.db2.gz LUWJMSKWDYAFPV-UHFFFAOYSA-N 1 3 316.533 4.480 20 0 DIADHO CC[N@@H+](CCCNCCc1ccc(C)c(C)c1)C1CCCCC1 ZINC001308851002 1066329201 /nfs/dbraw/zinc/32/92/01/1066329201.db2.gz LUWJMSKWDYAFPV-UHFFFAOYSA-N 1 3 316.533 4.480 20 0 DIADHO C[C@H]1CCC[C@H](N2CCC([NH2+][C@@H]3C[C@H]3CC(C)(C)C)CC2)C1 ZINC001308853186 1066332561 /nfs/dbraw/zinc/33/25/61/1066332561.db2.gz YTNAVOLSJUUZHJ-PBWTXFEYSA-N 1 3 306.538 4.444 20 0 DIADHO C[C@H](C[N@H+]1CCCC[C@@H]1[C@@H](C)CN(C)C)c1cc(F)cc(F)c1 ZINC001308882875 1066364333 /nfs/dbraw/zinc/36/43/33/1066364333.db2.gz SGRJSRMUBUEBSD-ZRGWGRIASA-N 1 3 324.459 4.121 20 0 DIADHO C[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H](C)CN(C)C)c1cc(F)cc(F)c1 ZINC001308882875 1066364345 /nfs/dbraw/zinc/36/43/45/1066364345.db2.gz SGRJSRMUBUEBSD-ZRGWGRIASA-N 1 3 324.459 4.121 20 0 DIADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCC[C@H]3C3CCCCC3)[C@H]2C1 ZINC001308985100 1066432821 /nfs/dbraw/zinc/43/28/21/1066432821.db2.gz SDBJXUGGPFZARB-FSGKZVOOSA-N 1 3 304.522 4.055 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CNCc1cccc2cc[nH]c21 ZINC000236913880 202069049 /nfs/dbraw/zinc/06/90/49/202069049.db2.gz AOMJFSGBDBPCBA-UHFFFAOYSA-N 1 3 321.468 4.300 20 0 DIADHO CC[NH+](CC)Cc1cccc(CNCc2cccc3[nH]ccc32)c1 ZINC000236937456 202080653 /nfs/dbraw/zinc/08/06/53/202080653.db2.gz ADSGDAIZYVDEFU-UHFFFAOYSA-N 1 3 321.468 4.300 20 0 DIADHO CC(C)Oc1ccc([C@@H](C)NCC2=CC[N@H+](C)CC2)cc1Cl ZINC000284550911 131091565 /nfs/dbraw/zinc/09/15/65/131091565.db2.gz XXLYVTVNOQATRH-CQSZACIVSA-N 1 3 322.880 4.040 20 0 DIADHO CC(C)Oc1ccc([C@@H](C)NCC2=CC[N@@H+](C)CC2)cc1Cl ZINC000284550911 131091568 /nfs/dbraw/zinc/09/15/68/131091568.db2.gz XXLYVTVNOQATRH-CQSZACIVSA-N 1 3 322.880 4.040 20 0 DIADHO CC[NH+](CC)Cc1ccc(CNCc2ccc(F)c(C)c2)cc1 ZINC000064845550 331519615 /nfs/dbraw/zinc/51/96/15/331519615.db2.gz PCHNFXMFISXXEO-UHFFFAOYSA-N 1 3 314.448 4.266 20 0 DIADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000566076063 331953761 /nfs/dbraw/zinc/95/37/61/331953761.db2.gz YFUOTPPNIULUMO-QFBILLFUSA-N 1 3 304.522 4.342 20 0 DIADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNCc3ccccc3)cc2)C1 ZINC000518266902 332003234 /nfs/dbraw/zinc/00/32/34/332003234.db2.gz LSAPPAJGVJVOIQ-KDURUIRLSA-N 1 3 322.496 4.454 20 0 DIADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNCc3ccccc3)cc2)C1 ZINC000518266902 332003235 /nfs/dbraw/zinc/00/32/35/332003235.db2.gz LSAPPAJGVJVOIQ-KDURUIRLSA-N 1 3 322.496 4.454 20 0 DIADHO Cc1sccc1CNC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000559273243 332012046 /nfs/dbraw/zinc/01/20/46/332012046.db2.gz KVTLCIRRUPWJOF-NVXWUHKLSA-N 1 3 320.527 4.291 20 0 DIADHO Cc1sccc1CNC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000559273243 332012048 /nfs/dbraw/zinc/01/20/48/332012048.db2.gz KVTLCIRRUPWJOF-NVXWUHKLSA-N 1 3 320.527 4.291 20 0 DIADHO CO[C@](C)(CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000449333283 332045118 /nfs/dbraw/zinc/04/51/18/332045118.db2.gz GIADSAWHXHWBJV-HXUWFJFHSA-N 1 3 324.553 4.070 20 0 DIADHO C[C@H](NCCC[NH+]1CCCC1)c1ccc(F)c2ccccc21 ZINC000559732284 332278061 /nfs/dbraw/zinc/27/80/61/332278061.db2.gz LUKSBFDQRRPBIA-HNNXBMFYSA-N 1 3 300.421 4.115 20 0 DIADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(F)c2ccccc21 ZINC000559732284 332278063 /nfs/dbraw/zinc/27/80/63/332278063.db2.gz LUKSBFDQRRPBIA-HNNXBMFYSA-N 1 3 300.421 4.115 20 0 DIADHO CCCCOc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000560251967 332323677 /nfs/dbraw/zinc/32/36/77/332323677.db2.gz NELGXSKCYRNDED-DLBZAZTESA-N 1 3 316.489 4.000 20 0 DIADHO CCCCOc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000560251967 332323678 /nfs/dbraw/zinc/32/36/78/332323678.db2.gz NELGXSKCYRNDED-DLBZAZTESA-N 1 3 316.489 4.000 20 0 DIADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2ccccc2)cc1 ZINC000580245606 333040295 /nfs/dbraw/zinc/04/02/95/333040295.db2.gz WKTMGCYSUDKIMQ-UTKZUKDTSA-N 1 3 308.469 4.126 20 0 DIADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2ccccc2)cc1 ZINC000580245606 333040296 /nfs/dbraw/zinc/04/02/96/333040296.db2.gz WKTMGCYSUDKIMQ-UTKZUKDTSA-N 1 3 308.469 4.126 20 0 DIADHO CCC(CC)[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000378902530 333061822 /nfs/dbraw/zinc/06/18/22/333061822.db2.gz XPWMONWWBJSRPU-AQNXPRMDSA-N 1 3 300.490 4.380 20 0 DIADHO CCC(CC)[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000378902530 333061823 /nfs/dbraw/zinc/06/18/23/333061823.db2.gz XPWMONWWBJSRPU-AQNXPRMDSA-N 1 3 300.490 4.380 20 0 DIADHO Cc1cccc([C@H](C)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000378933445 333066028 /nfs/dbraw/zinc/06/60/28/333066028.db2.gz ZWQWLPPKXIAQDQ-IBGZPJMESA-N 1 3 322.496 4.353 20 0 DIADHO c1ccc(C[N@H+]2CC[C@@H](CN[C@@H](c3ccccc3)C3CC3)C2)cc1 ZINC000310101977 333219256 /nfs/dbraw/zinc/21/92/56/333219256.db2.gz YDNOYVGEEWFNBN-UGKGYDQZSA-N 1 3 320.480 4.249 20 0 DIADHO c1ccc(C[N@@H+]2CC[C@@H](CN[C@@H](c3ccccc3)C3CC3)C2)cc1 ZINC000310101977 333219258 /nfs/dbraw/zinc/21/92/58/333219258.db2.gz YDNOYVGEEWFNBN-UGKGYDQZSA-N 1 3 320.480 4.249 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCCc2occc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310166067 333221462 /nfs/dbraw/zinc/22/14/62/333221462.db2.gz SFHCPDBUJUPSHQ-ILZDJORESA-N 1 3 324.468 4.157 20 0 DIADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000497518136 333258826 /nfs/dbraw/zinc/25/88/26/333258826.db2.gz KTIHRCOYVSPXGD-OXJNMPFZSA-N 1 3 316.464 4.083 20 0 DIADHO C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000525787122 333313467 /nfs/dbraw/zinc/31/34/67/333313467.db2.gz OJVACZQPIQVZBV-QZTJIDSGSA-N 1 3 308.469 4.319 20 0 DIADHO C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000525787122 333313468 /nfs/dbraw/zinc/31/34/68/333313468.db2.gz OJVACZQPIQVZBV-QZTJIDSGSA-N 1 3 308.469 4.319 20 0 DIADHO C[C@H](c1cccc2ccccc21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000525787122 333313469 /nfs/dbraw/zinc/31/34/69/333313469.db2.gz OJVACZQPIQVZBV-QZTJIDSGSA-N 1 3 308.469 4.319 20 0 DIADHO C[C@@H](c1cccc2ccccc21)[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000525787123 333313499 /nfs/dbraw/zinc/31/34/99/333313499.db2.gz OJVACZQPIQVZBV-ROUUACIJSA-N 1 3 308.469 4.319 20 0 DIADHO C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000525787123 333313500 /nfs/dbraw/zinc/31/35/00/333313500.db2.gz OJVACZQPIQVZBV-ROUUACIJSA-N 1 3 308.469 4.319 20 0 DIADHO C[C@@H](c1cccc2ccccc21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000525787123 333313501 /nfs/dbraw/zinc/31/35/01/333313501.db2.gz OJVACZQPIQVZBV-ROUUACIJSA-N 1 3 308.469 4.319 20 0 DIADHO Cc1ccccc1[C@H](C)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390744237 333322851 /nfs/dbraw/zinc/32/28/51/333322851.db2.gz OPZOMDAFODOUSB-ICSRJNTNSA-N 1 3 308.469 4.168 20 0 DIADHO Cc1ccccc1[C@H](C)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390744237 333322852 /nfs/dbraw/zinc/32/28/52/333322852.db2.gz OPZOMDAFODOUSB-ICSRJNTNSA-N 1 3 308.469 4.168 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(C(F)(F)F)s2)cc1 ZINC000414808217 334104645 /nfs/dbraw/zinc/10/46/45/334104645.db2.gz DUATXHPGTGEKFO-SNVBAGLBSA-N 1 3 314.376 4.076 20 0 DIADHO CC(C)C[C@@H](Cc1cccc(Cl)c1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414833292 334110839 /nfs/dbraw/zinc/11/08/39/334110839.db2.gz RQNUBQPLTFQSPD-TUVJXNFZSA-N 1 3 320.908 4.170 20 0 DIADHO CC1([NH2+]Cc2ccc(-c3ccccc3Cl)s2)CCNCC1 ZINC000414946614 334206224 /nfs/dbraw/zinc/20/62/24/334206224.db2.gz UGRJHFVWIUQQFO-UHFFFAOYSA-N 1 3 320.889 4.300 20 0 DIADHO C[C@@H]1C[C@H]([NH2+]CCCCc2ccc(Cl)c(Cl)c2)CCN1 ZINC000414948852 334206853 /nfs/dbraw/zinc/20/68/53/334206853.db2.gz MQBJNJRCEQIBHA-TZMCWYRMSA-N 1 3 315.288 4.046 20 0 DIADHO [NH3+]CCC[C@@H](NCc1ccc(OCC2CC2)cc1)c1ccccc1 ZINC000415052819 334263863 /nfs/dbraw/zinc/26/38/63/334263863.db2.gz LNPXJDFJKRFYOK-OAQYLSRUSA-N 1 3 324.468 4.045 20 0 DIADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000531961977 334312506 /nfs/dbraw/zinc/31/25/06/334312506.db2.gz DTBZLADZROWMKR-CQSZACIVSA-N 1 3 324.896 4.264 20 0 DIADHO C[C@H](c1ccccc1)[NH+]1CCC(N[C@H]2CCc3ccccc32)CC1 ZINC000531967590 334326399 /nfs/dbraw/zinc/32/63/99/334326399.db2.gz GTLUSFQTDBFSRC-VGSWGCGISA-N 1 3 320.480 4.489 20 0 DIADHO CN1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000534757358 334336907 /nfs/dbraw/zinc/33/69/07/334336907.db2.gz XWQLSJYKFZPFMY-YLJYHZDGSA-N 1 3 311.473 4.179 20 0 DIADHO CN1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000534757358 334336908 /nfs/dbraw/zinc/33/69/08/334336908.db2.gz XWQLSJYKFZPFMY-YLJYHZDGSA-N 1 3 311.473 4.179 20 0 DIADHO COc1ccc([C@@H](CCC(C)C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000531972457 334336917 /nfs/dbraw/zinc/33/69/17/334336917.db2.gz YYSCOLBQWBYDOV-YLJYHZDGSA-N 1 3 318.505 4.104 20 0 DIADHO COc1ccc([C@@H](CCC(C)C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000531972457 334336918 /nfs/dbraw/zinc/33/69/18/334336918.db2.gz YYSCOLBQWBYDOV-YLJYHZDGSA-N 1 3 318.505 4.104 20 0 DIADHO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H](C)CN(C)C ZINC000425955464 334820707 /nfs/dbraw/zinc/82/07/07/334820707.db2.gz ZSLQKUBKDYFKRP-JKSUJKDBSA-N 1 3 315.505 4.011 20 0 DIADHO Fc1ccc2c(c1)CC[C@@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162898330 338470044 /nfs/dbraw/zinc/47/00/44/338470044.db2.gz KTASERBSFOPTLK-NRFANRHFSA-N 1 3 324.443 4.199 20 0 DIADHO C[C@H]1C[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)c2ccccc21 ZINC000343658949 335185840 /nfs/dbraw/zinc/18/58/40/335185840.db2.gz RVLSMOURQRZKGP-KKSFZXQISA-N 1 3 321.468 4.136 20 0 DIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2cncc(C)c2)cc1 ZINC000343827268 335195935 /nfs/dbraw/zinc/19/59/35/335195935.db2.gz AKDRMSOAVUIREX-KRWDZBQOSA-N 1 3 311.473 4.083 20 0 DIADHO CCCC[C@@H](NC1CC[NH+](CCCOC)CC1)c1ccccc1 ZINC000343995108 335206367 /nfs/dbraw/zinc/20/63/67/335206367.db2.gz BGMCOYBCYKXBGB-HXUWFJFHSA-N 1 3 318.505 4.008 20 0 DIADHO CC[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc2cc(OC)ccc2c1 ZINC000344302012 335238419 /nfs/dbraw/zinc/23/84/19/335238419.db2.gz SFHZNWYAXGJGIW-OAQYLSRUSA-N 1 3 324.468 4.151 20 0 DIADHO c1ccc2c(c1)CC[C@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162908923 338492109 /nfs/dbraw/zinc/49/21/09/338492109.db2.gz FSDVVQRIUIXTIW-OAQYLSRUSA-N 1 3 306.453 4.060 20 0 DIADHO Cc1sccc1C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000351568543 336045293 /nfs/dbraw/zinc/04/52/93/336045293.db2.gz ODUFLHFVTMFHMJ-GOSISDBHSA-N 1 3 314.498 4.010 20 0 DIADHO Cc1sccc1C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000351568543 336045294 /nfs/dbraw/zinc/04/52/94/336045294.db2.gz ODUFLHFVTMFHMJ-GOSISDBHSA-N 1 3 314.498 4.010 20 0 DIADHO c1ccc2c(c1)CCC[C@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000352781781 336236326 /nfs/dbraw/zinc/23/63/26/336236326.db2.gz ZOKUUDDPVCVOSW-JOCHJYFZSA-N 1 3 320.480 4.450 20 0 DIADHO C[NH+](C)Cc1ccc(CN[C@H](CC2CC2)c2ccccc2)cc1 ZINC000532454609 336248274 /nfs/dbraw/zinc/24/82/74/336248274.db2.gz DGNXUUMKAMLFAE-OAQYLSRUSA-N 1 3 308.469 4.379 20 0 DIADHO CN(C)Cc1ccc(C[NH2+][C@H](CC2CC2)c2ccccc2)cc1 ZINC000532454609 336248275 /nfs/dbraw/zinc/24/82/75/336248275.db2.gz DGNXUUMKAMLFAE-OAQYLSRUSA-N 1 3 308.469 4.379 20 0 DIADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2cccs2)cc1 ZINC000532507084 336252681 /nfs/dbraw/zinc/25/26/81/336252681.db2.gz VOCFLXXDELDTBX-HOTGVXAUSA-N 1 3 314.498 4.408 20 0 DIADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2cccs2)cc1 ZINC000532507084 336252682 /nfs/dbraw/zinc/25/26/82/336252682.db2.gz VOCFLXXDELDTBX-HOTGVXAUSA-N 1 3 314.498 4.408 20 0 DIADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000532505379 336252709 /nfs/dbraw/zinc/25/27/09/336252709.db2.gz IDQXNACWUYELNY-QZTJIDSGSA-N 1 3 324.468 4.471 20 0 DIADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000532505379 336252710 /nfs/dbraw/zinc/25/27/10/336252710.db2.gz IDQXNACWUYELNY-QZTJIDSGSA-N 1 3 324.468 4.471 20 0 DIADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000532505380 336252722 /nfs/dbraw/zinc/25/27/22/336252722.db2.gz IDQXNACWUYELNY-ROUUACIJSA-N 1 3 324.468 4.471 20 0 DIADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000532505380 336252723 /nfs/dbraw/zinc/25/27/23/336252723.db2.gz IDQXNACWUYELNY-ROUUACIJSA-N 1 3 324.468 4.471 20 0 DIADHO Cc1cccc([C@@H](C)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000325313895 336283431 /nfs/dbraw/zinc/28/34/31/336283431.db2.gz ZWQWLPPKXIAQDQ-LJQANCHMSA-N 1 3 322.496 4.353 20 0 DIADHO Clc1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000192917855 336284408 /nfs/dbraw/zinc/28/44/08/336284408.db2.gz PGRAGIKLYSKGTL-HNNXBMFYSA-N 1 3 320.889 4.013 20 0 DIADHO Cc1cc(NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc[nH+]1 ZINC000302393610 336358070 /nfs/dbraw/zinc/35/80/70/336358070.db2.gz FYZHBMJIBMSDBS-MRXNPFEDSA-N 1 3 323.362 4.124 20 0 DIADHO CC(C)Sc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152443422 336384511 /nfs/dbraw/zinc/38/45/11/336384511.db2.gz JMGQLVPDFBGHPR-HZPDHXFCSA-N 1 3 318.530 4.322 20 0 DIADHO CC(C)Sc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152443422 336384512 /nfs/dbraw/zinc/38/45/12/336384512.db2.gz JMGQLVPDFBGHPR-HZPDHXFCSA-N 1 3 318.530 4.322 20 0 DIADHO C[NH+](C)Cc1ccc(CN[C@@H]2CCCc3cc(F)ccc32)cc1 ZINC000122323073 337004343 /nfs/dbraw/zinc/00/43/43/337004343.db2.gz YPFLWTDBIDSOEL-HXUWFJFHSA-N 1 3 312.432 4.055 20 0 DIADHO CC[C@H](N[C@@H](C)c1ccc(C[NH3+])nc1C)c1ccc(Cl)s1 ZINC000422724973 337684132 /nfs/dbraw/zinc/68/41/32/337684132.db2.gz AAILEHRAIDKIMH-FZMZJTMJSA-N 1 3 323.893 4.366 20 0 DIADHO C[C@@H](N[C@@H](C)CCCC[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000422726566 337684359 /nfs/dbraw/zinc/68/43/59/337684359.db2.gz FIMULDSHAWGMPN-VHSXEESVSA-N 1 3 307.240 4.301 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000422778379 337686114 /nfs/dbraw/zinc/68/61/14/337686114.db2.gz HIKZLWBGMGQFDE-IIBYNOLFSA-N 1 3 323.484 4.431 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000422814692 337687928 /nfs/dbraw/zinc/68/79/28/337687928.db2.gz VYDQGNQBFFPQCS-JCGIZDLHSA-N 1 3 303.494 4.104 20 0 DIADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422891955 337690356 /nfs/dbraw/zinc/69/03/56/337690356.db2.gz WZNYIPNXDBFNQT-IHRRRGAJSA-N 1 3 317.502 4.203 20 0 DIADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N[C@H](C)C[C@@H](C)[NH3+] ZINC000422891956 337690413 /nfs/dbraw/zinc/69/04/13/337690413.db2.gz WZNYIPNXDBFNQT-MCIONIFRSA-N 1 3 317.502 4.203 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)C1CCCCC1 ZINC000423032310 337696423 /nfs/dbraw/zinc/69/64/23/337696423.db2.gz YFLJTSMUPJUYJT-CQSZACIVSA-N 1 3 303.494 4.106 20 0 DIADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000423046243 337696996 /nfs/dbraw/zinc/69/69/96/337696996.db2.gz SXUUXENBILFSNS-YXAMBPQSSA-N 1 3 314.395 4.057 20 0 DIADHO C[C@@H](CCC[NH3+])NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000423069564 337698310 /nfs/dbraw/zinc/69/83/10/337698310.db2.gz DVNGYKCOZWNXOY-JTQLQIEISA-N 1 3 320.786 4.065 20 0 DIADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423109415 337699951 /nfs/dbraw/zinc/69/99/51/337699951.db2.gz SLBMKBZUVUELIJ-YXAMBPQSSA-N 1 3 314.395 4.057 20 0 DIADHO CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423140451 337701332 /nfs/dbraw/zinc/70/13/32/337701332.db2.gz YJSMLUPFPXMMNH-SWDXFRIISA-N 1 3 320.908 4.170 20 0 DIADHO Clc1cccc([C@@H]2CCC[C@H]([NH2+][C@H]3CCCNCC3)C2)c1 ZINC000423162650 337702166 /nfs/dbraw/zinc/70/21/66/337702166.db2.gz LKBVSMGPHWCIFD-NJAFHUGGSA-N 1 3 306.881 4.098 20 0 DIADHO Cc1ccc(C)c2c1CCC[C@H]2NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423292219 337710249 /nfs/dbraw/zinc/71/02/49/337710249.db2.gz LZMHRHYOPDPEMT-OXQOHEQNSA-N 1 3 308.469 4.490 20 0 DIADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000423296380 337710845 /nfs/dbraw/zinc/71/08/45/337710845.db2.gz YZYJSJSLSXAEGC-STQMWFEESA-N 1 3 320.383 4.159 20 0 DIADHO c1ccc([C@H]2CCCC[C@H]2[NH2+]Cc2ccc3c(c2)CNC3)cc1 ZINC000423367541 337714768 /nfs/dbraw/zinc/71/47/68/337714768.db2.gz CQSNABNFOWNDTD-NHCUHLMSSA-N 1 3 306.453 4.106 20 0 DIADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cc(Cl)cc(Cl)c1 ZINC000423370952 337714964 /nfs/dbraw/zinc/71/49/64/337714964.db2.gz GDABUHXXVMUDCS-NSHDSACASA-N 1 3 321.251 4.447 20 0 DIADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1cc2c(s1)CCCC2 ZINC000423399870 337715545 /nfs/dbraw/zinc/71/55/45/337715545.db2.gz VFSVTULXKPDUTN-CYBMUJFWSA-N 1 3 312.482 4.081 20 0 DIADHO Cc1cc2c(cc1C)[C@H](NCc1ccc3c(c1)C[NH2+]C3)CCS2 ZINC000423402203 337715735 /nfs/dbraw/zinc/71/57/35/337715735.db2.gz WOQNOVYOVMHTDL-LJQANCHMSA-N 1 3 324.493 4.233 20 0 DIADHO Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423402096 337715753 /nfs/dbraw/zinc/71/57/53/337715753.db2.gz WFFSKCUQCPYQHR-APHBMKBZSA-N 1 3 315.486 4.039 20 0 DIADHO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000423377625 337717433 /nfs/dbraw/zinc/71/74/33/337717433.db2.gz VUARJUBOLGNCNB-OWCLPIDISA-N 1 3 313.489 4.084 20 0 DIADHO COc1ccccc1-c1ccc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423385031 337717905 /nfs/dbraw/zinc/71/79/05/337717905.db2.gz LJVXNDYLARUOPL-SNRMKQJTSA-N 1 3 324.468 4.283 20 0 DIADHO Cc1nc(-c2cc([C@H](C)N[C@@H]3CCC[C@H]([NH3+])C3)cs2)cs1 ZINC000423394328 337718616 /nfs/dbraw/zinc/71/86/16/337718616.db2.gz RFNVBAJJGITBQS-LEWSCRJBSA-N 1 3 321.515 4.101 20 0 DIADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1C(C)(C)C ZINC000423393705 337718620 /nfs/dbraw/zinc/71/86/20/337718620.db2.gz QVXPAZBEMXYZAE-OAHLLOKOSA-N 1 3 308.469 4.438 20 0 DIADHO C[C@H](NCCC[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1Cl ZINC000423483918 337721992 /nfs/dbraw/zinc/72/19/92/337721992.db2.gz QIQFNNJUPRNIHZ-AAEUAGOBSA-N 1 3 301.261 4.176 20 0 DIADHO CCOc1ccccc1[C@H](C)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423497248 337723053 /nfs/dbraw/zinc/72/30/53/337723053.db2.gz GHAKXULTJFTWHK-QFBILLFUSA-N 1 3 312.457 4.216 20 0 DIADHO CC[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1cccc(OC)c1 ZINC000423498180 337723103 /nfs/dbraw/zinc/72/31/03/337723103.db2.gz HRQLAJUTNITOLC-WOJBJXKFSA-N 1 3 312.457 4.216 20 0 DIADHO CC[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cccc(OC)c1 ZINC000423498176 337723211 /nfs/dbraw/zinc/72/32/11/337723211.db2.gz HRQLAJUTNITOLC-PMACEKPBSA-N 1 3 312.457 4.216 20 0 DIADHO COc1ccc([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)c(C)c1 ZINC000423508542 337723797 /nfs/dbraw/zinc/72/37/97/337723797.db2.gz KRFKNLIVQLPWDY-JXFKEZNVSA-N 1 3 312.457 4.134 20 0 DIADHO CC[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1cc(F)ccc1F ZINC000423511456 337724023 /nfs/dbraw/zinc/72/40/23/337724023.db2.gz SYQRKWWLPPOUDR-RBUKOAKNSA-N 1 3 318.411 4.486 20 0 DIADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000423542300 337725220 /nfs/dbraw/zinc/72/52/20/337725220.db2.gz ARUWPVGJSBQXPY-SNVBAGLBSA-N 1 3 317.235 4.093 20 0 DIADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429539685 338083395 /nfs/dbraw/zinc/08/33/95/338083395.db2.gz RNZNNKPAHUNRFW-XJKSGUPXSA-N 1 3 314.395 4.183 20 0 DIADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429539685 338083396 /nfs/dbraw/zinc/08/33/96/338083396.db2.gz RNZNNKPAHUNRFW-XJKSGUPXSA-N 1 3 314.395 4.183 20 0 DIADHO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000430714767 338112172 /nfs/dbraw/zinc/11/21/72/338112172.db2.gz PMGJROYGWGFXNT-YVWKXTFCSA-N 1 3 315.505 4.102 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000436228251 338262586 /nfs/dbraw/zinc/26/25/86/338262586.db2.gz AYKZXFWQKZUQCE-PWRODBHTSA-N 1 3 314.517 4.108 20 0 DIADHO C[C@@]1(c2ccccc2)CC[C@H](N2CCC([NH+]3CCCC3)CC2)C1 ZINC000437585335 338314830 /nfs/dbraw/zinc/31/48/30/338314830.db2.gz VSTFJKMHXSVYEV-LEWJYISDSA-N 1 3 312.501 4.057 20 0 DIADHO C[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCC(N3CCCC3)CC2)C1 ZINC000437585335 338314831 /nfs/dbraw/zinc/31/48/31/338314831.db2.gz VSTFJKMHXSVYEV-LEWJYISDSA-N 1 3 312.501 4.057 20 0 DIADHO C[C@@]1(c2ccccc2)CC[C@@H](N2CCC([NH+]3CCCC3)CC2)C1 ZINC000437585336 338314887 /nfs/dbraw/zinc/31/48/87/338314887.db2.gz VSTFJKMHXSVYEV-NHCUHLMSSA-N 1 3 312.501 4.057 20 0 DIADHO C[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCC(N3CCCC3)CC2)C1 ZINC000437585336 338314888 /nfs/dbraw/zinc/31/48/88/338314888.db2.gz VSTFJKMHXSVYEV-NHCUHLMSSA-N 1 3 312.501 4.057 20 0 DIADHO CCCN(CCC)CCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000438075467 338329490 /nfs/dbraw/zinc/32/94/90/338329490.db2.gz RABFMJNFNGRKNP-CABCVRRESA-N 1 3 308.432 4.209 20 0 DIADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000438079955 338330208 /nfs/dbraw/zinc/33/02/08/338330208.db2.gz ZXIBYVAAIRVZRM-QKPAOTATSA-N 1 3 320.443 4.065 20 0 DIADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000438079960 338330330 /nfs/dbraw/zinc/33/03/30/338330330.db2.gz ZXIBYVAAIRVZRM-XUWVNRHRSA-N 1 3 320.443 4.065 20 0 DIADHO CSCC1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000449176859 338599526 /nfs/dbraw/zinc/59/95/26/338599526.db2.gz NWVVEYZRKUJYKY-UHFFFAOYSA-N 1 3 324.578 4.295 20 0 DIADHO CC1(C)CC([NH2+]C2CCC(OC3CCCC3)CC2)CC(C)(C)N1 ZINC000449219784 338603433 /nfs/dbraw/zinc/60/34/33/338603433.db2.gz OAMWDVMZDUYQDM-UHFFFAOYSA-N 1 3 322.537 4.156 20 0 DIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC[C@H]2CCCCO2)CC1 ZINC000449233153 338604959 /nfs/dbraw/zinc/60/49/59/338604959.db2.gz XMEMHHHPTZAMFU-GOSISDBHSA-N 1 3 324.553 4.214 20 0 DIADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CCCC(C)(F)F)CC2)C1 ZINC000449349823 338616253 /nfs/dbraw/zinc/61/62/53/338616253.db2.gz IGTBICLDVIURMS-HOCLYGCPSA-N 1 3 302.453 4.055 20 0 DIADHO CC[C@](C)(CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)OC ZINC000449477829 338628795 /nfs/dbraw/zinc/62/87/95/338628795.db2.gz PZODSXUOLZIODD-LJQANCHMSA-N 1 3 312.542 4.070 20 0 DIADHO c1ccc([C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C2CCC2)cc1 ZINC000459395933 339026838 /nfs/dbraw/zinc/02/68/38/339026838.db2.gz DGNXRKMBERFTNS-OAQYLSRUSA-N 1 3 321.468 4.181 20 0 DIADHO CC(C)[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000459399290 339027098 /nfs/dbraw/zinc/02/70/98/339027098.db2.gz ZPTLKECZMJXUCS-OAQYLSRUSA-N 1 3 323.484 4.080 20 0 DIADHO CC1(C)C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)c2ccccc21 ZINC000459433216 339028890 /nfs/dbraw/zinc/02/88/90/339028890.db2.gz LJFWNLKHXWLYTB-FQEVSTJZSA-N 1 3 321.468 4.063 20 0 DIADHO CC1(C[NH2+]C2CCN(c3ccncc3)CC2)CCCCCC1 ZINC000459475951 339031556 /nfs/dbraw/zinc/03/15/56/339031556.db2.gz ZNTLMAAERDAZDQ-UHFFFAOYSA-N 1 3 301.478 4.001 20 0 DIADHO CC(C)[NH+]1CCC(N[C@H]2c3ccccc3CCC[C@@H]2C)CC1 ZINC000462840211 339093758 /nfs/dbraw/zinc/09/37/58/339093758.db2.gz PZSSQMGAQFVSTN-OXJNMPFZSA-N 1 3 300.490 4.163 20 0 DIADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000463023176 339100940 /nfs/dbraw/zinc/10/09/40/339100940.db2.gz GYPZXIVDTQGACQ-SJORKVTESA-N 1 3 318.505 4.246 20 0 DIADHO CC[NH+](CC)C[C@@H]1CCN(CCCc2cccc3ccccc32)C1 ZINC000464771287 339152218 /nfs/dbraw/zinc/15/22/18/339152218.db2.gz CTTJQIKFMHIRSN-IBGZPJMESA-N 1 3 324.512 4.436 20 0 DIADHO CCN(CC)C[C@@H]1CC[N@H+](CCCc2cccc3ccccc32)C1 ZINC000464771287 339152219 /nfs/dbraw/zinc/15/22/19/339152219.db2.gz CTTJQIKFMHIRSN-IBGZPJMESA-N 1 3 324.512 4.436 20 0 DIADHO CCN(CC)C[C@@H]1CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000464771287 339152220 /nfs/dbraw/zinc/15/22/20/339152220.db2.gz CTTJQIKFMHIRSN-IBGZPJMESA-N 1 3 324.512 4.436 20 0 DIADHO CCCC[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000467845030 339247476 /nfs/dbraw/zinc/24/74/76/339247476.db2.gz XULKJZGVGNRRHR-FQEVSTJZSA-N 1 3 300.490 4.382 20 0 DIADHO CCCC[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000467845031 339247590 /nfs/dbraw/zinc/24/75/90/339247590.db2.gz XULKJZGVGNRRHR-HXUWFJFHSA-N 1 3 300.490 4.382 20 0 DIADHO Cc1oc2ccccc2c1CC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000468045467 339252585 /nfs/dbraw/zinc/25/25/85/339252585.db2.gz URPISCSPJNNQRV-UHFFFAOYSA-N 1 3 314.473 4.136 20 0 DIADHO Cc1oc2ccccc2c1CCNC1CC[NH+](C(C)(C)C)CC1 ZINC000468045467 339252586 /nfs/dbraw/zinc/25/25/86/339252586.db2.gz URPISCSPJNNQRV-UHFFFAOYSA-N 1 3 314.473 4.136 20 0 DIADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC000469847654 339302439 /nfs/dbraw/zinc/30/24/39/339302439.db2.gz ZKQDMQOCISUIDP-OLZOCXBDSA-N 1 3 320.889 4.238 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000470354692 339317953 /nfs/dbraw/zinc/31/79/53/339317953.db2.gz RPJQRCXVTQGIHS-CVEARBPZSA-N 1 3 308.897 4.154 20 0 DIADHO COc1ccsc1[C@H](C)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000472160330 339364821 /nfs/dbraw/zinc/36/48/21/339364821.db2.gz QQXDWQPRLOARCH-OAGGEKHMSA-N 1 3 324.534 4.165 20 0 DIADHO CC(C)[C@H]1CCC[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000474877879 339429506 /nfs/dbraw/zinc/42/95/06/339429506.db2.gz IPPGSHKEBUVIJL-RBUKOAKNSA-N 1 3 315.505 4.102 20 0 DIADHO CC(C)CC[NH+]1CCC(CN[C@H](C)c2ccc(Cl)cn2)CC1 ZINC000480151073 339560812 /nfs/dbraw/zinc/56/08/12/339560812.db2.gz TYTBOCNEUHSLCR-OAHLLOKOSA-N 1 3 323.912 4.144 20 0 DIADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCCN1CCCC1 ZINC000499951731 340047600 /nfs/dbraw/zinc/04/76/00/340047600.db2.gz HKYULHXNHBILOA-AWEZNQCLSA-N 1 3 314.395 4.184 20 0 DIADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCCN1CCCC1 ZINC000499951731 340047601 /nfs/dbraw/zinc/04/76/01/340047601.db2.gz HKYULHXNHBILOA-AWEZNQCLSA-N 1 3 314.395 4.184 20 0 DIADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccc(Cl)s2)C1 ZINC000500563607 340062411 /nfs/dbraw/zinc/06/24/11/340062411.db2.gz YGEIMJJATZMZGS-KBPBESRZSA-N 1 3 314.926 4.249 20 0 DIADHO C/C(=C/c1ccccc1C(F)(F)F)CN[C@@H](C)CC[NH+](C)C ZINC000501425197 340080614 /nfs/dbraw/zinc/08/06/14/340080614.db2.gz PADWKRJWPUFMPI-FZDNWWAKSA-N 1 3 314.395 4.039 20 0 DIADHO C/C(=C\c1ccccc1C(F)(F)F)CN[C@@H](C)CC[NH+](C)C ZINC000501425196 340080705 /nfs/dbraw/zinc/08/07/05/340080705.db2.gz PADWKRJWPUFMPI-CMPYXILNSA-N 1 3 314.395 4.039 20 0 DIADHO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CC[C@@H]1CCCN1C ZINC000502691099 340110703 /nfs/dbraw/zinc/11/07/03/340110703.db2.gz GHJLAHBZFWINEM-BBRMVZONSA-N 1 3 314.395 4.183 20 0 DIADHO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CC[C@@H]1CCCN1C ZINC000502691099 340110704 /nfs/dbraw/zinc/11/07/04/340110704.db2.gz GHJLAHBZFWINEM-BBRMVZONSA-N 1 3 314.395 4.183 20 0 DIADHO CCCCOc1ccc(C[N@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000506358089 340193227 /nfs/dbraw/zinc/19/32/27/340193227.db2.gz UATVPOKFKCCRJR-UHFFFAOYSA-N 1 3 318.505 4.170 20 0 DIADHO CCCCOc1ccc(C[N@@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000506358089 340193228 /nfs/dbraw/zinc/19/32/28/340193228.db2.gz UATVPOKFKCCRJR-UHFFFAOYSA-N 1 3 318.505 4.170 20 0 DIADHO Cc1cc2cc([C@@H](C)NCC3(C)CC[NH+](C)CC3)oc2cc1C ZINC000507480644 340221917 /nfs/dbraw/zinc/22/19/17/340221917.db2.gz PKGXLIBNKIGQGU-MRXNPFEDSA-N 1 3 314.473 4.432 20 0 DIADHO Fc1ccc2c(c1)[C@H](N1CCC(C[NH+]3CCCC3)CC1)CCC2 ZINC000510495912 340301057 /nfs/dbraw/zinc/30/10/57/340301057.db2.gz KZMUBHOCVRIHIJ-HXUWFJFHSA-N 1 3 316.464 4.011 20 0 DIADHO Cc1ccsc1[C@H](C)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512313501 340356533 /nfs/dbraw/zinc/35/65/33/340356533.db2.gz JSLBNMJFEKYFDP-HRCADAONSA-N 1 3 306.519 4.360 20 0 DIADHO Cc1ccsc1[C@H](C)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512313501 340356534 /nfs/dbraw/zinc/35/65/34/340356534.db2.gz JSLBNMJFEKYFDP-HRCADAONSA-N 1 3 306.519 4.360 20 0 DIADHO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000512313501 340356535 /nfs/dbraw/zinc/35/65/35/340356535.db2.gz JSLBNMJFEKYFDP-HRCADAONSA-N 1 3 306.519 4.360 20 0 DIADHO CN1CCC2(CCC[N@@H+]2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000512415103 340360993 /nfs/dbraw/zinc/36/09/93/340360993.db2.gz JKMTYWKAOMMEGQ-UHFFFAOYSA-N 1 3 300.490 4.044 20 0 DIADHO CN1CCC2(CCC[N@H+]2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000512415103 340360994 /nfs/dbraw/zinc/36/09/94/340360994.db2.gz JKMTYWKAOMMEGQ-UHFFFAOYSA-N 1 3 300.490 4.044 20 0 DIADHO Cc1cccc([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000173838388 340375382 /nfs/dbraw/zinc/37/53/82/340375382.db2.gz QEBNFRFJIQFKRB-SFHVURJKSA-N 1 3 308.469 4.442 20 0 DIADHO CCc1ccc(CNC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000512810262 340378666 /nfs/dbraw/zinc/37/86/66/340378666.db2.gz QQSHPCVREWUWMW-UHFFFAOYSA-N 1 3 322.496 4.312 20 0 DIADHO CCC[N@@H+]1CC[C@@H](CNC/C(C)=C\c2ccc(Cl)cc2)C1 ZINC000513003894 340387775 /nfs/dbraw/zinc/38/77/75/340387775.db2.gz LLVOUCVJOJJARX-HKBKRHGFSA-N 1 3 306.881 4.065 20 0 DIADHO CCC[N@H+]1CC[C@@H](CNC/C(C)=C\c2ccc(Cl)cc2)C1 ZINC000513003894 340387776 /nfs/dbraw/zinc/38/77/76/340387776.db2.gz LLVOUCVJOJJARX-HKBKRHGFSA-N 1 3 306.881 4.065 20 0 DIADHO C[NH+](C)C1CCC(NCc2cc(Cl)sc2Cl)CC1 ZINC000513689878 340419625 /nfs/dbraw/zinc/41/96/25/340419625.db2.gz GDDOQEFDPSTSGT-UHFFFAOYSA-N 1 3 307.290 4.017 20 0 DIADHO CC1(C)CC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC(C)(C)N1 ZINC000069377537 340956926 /nfs/dbraw/zinc/95/69/26/340956926.db2.gz AJNJHPYRKGWHLF-NEPJUHHUSA-N 1 3 306.416 4.006 20 0 DIADHO C[C@@H]([NH2+]CC1CCN(Cc2cccs2)CC1)c1ccccc1 ZINC000129455291 340962043 /nfs/dbraw/zinc/96/20/43/340962043.db2.gz IQCTVWZEMAEDRV-MRXNPFEDSA-N 1 3 314.498 4.311 20 0 DIADHO CC[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(Cl)s1 ZINC000542557137 341013341 /nfs/dbraw/zinc/01/33/41/341013341.db2.gz ZZUBMQVRCUKTES-OLZOCXBDSA-N 1 3 300.899 4.317 20 0 DIADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CCCCCC1 ZINC000542470933 341008861 /nfs/dbraw/zinc/00/88/61/341008861.db2.gz MWWLTOYXUDFZPQ-KRWDZBQOSA-N 1 3 315.505 4.247 20 0 DIADHO Cc1cccc(C)c1C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000542534192 341012561 /nfs/dbraw/zinc/01/25/61/341012561.db2.gz YOMUSFQZDJDBTA-MSOLQXFVSA-N 1 3 300.490 4.046 20 0 DIADHO C[C@H](NCCC1CC[NH+](C)CC1)c1cc(Cl)ccc1Cl ZINC000130629315 341034695 /nfs/dbraw/zinc/03/46/95/341034695.db2.gz MDMJKINARDTGRW-LBPRGKRZSA-N 1 3 315.288 4.376 20 0 DIADHO CSc1ccc([C@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)cc1 ZINC000543417947 341043525 /nfs/dbraw/zinc/04/35/25/341043525.db2.gz JHSBAINAOIREGL-CVEARBPZSA-N 1 3 306.519 4.324 20 0 DIADHO C[C@@H](C[NH2+]C1CCN(CC2CCCC2)CC1)Cc1ccccc1 ZINC000543446380 341045095 /nfs/dbraw/zinc/04/50/95/341045095.db2.gz DVMSIQHBISBHKL-GOSISDBHSA-N 1 3 314.517 4.109 20 0 DIADHO CC[NH+](CC)CCCC1CCN(C[C@@H](C)C(F)(F)F)CC1 ZINC000543873114 341062144 /nfs/dbraw/zinc/06/21/44/341062144.db2.gz PNWZYXOEZKHEFF-CQSZACIVSA-N 1 3 308.432 4.019 20 0 DIADHO C[C@H](CCc1cccc(F)c1)[NH+]1CCC(N2CCCCC2)CC1 ZINC000543986310 341065184 /nfs/dbraw/zinc/06/51/84/341065184.db2.gz QBHNIOYQFGLTNC-QGZVFWFLSA-N 1 3 318.480 4.097 20 0 DIADHO C[C@@H]1C[C@H]1c1ccc(CNCCCC[NH+]2CCC(C)CC2)o1 ZINC000236843000 341203007 /nfs/dbraw/zinc/20/30/07/341203007.db2.gz FKXLQWPJNWSUFR-SJLPKXTDSA-N 1 3 304.478 4.005 20 0 DIADHO C[C@H]1C[C@@H]1c1ccc(CNCCCC[NH+]2CCC(C)CC2)o1 ZINC000236843031 341203070 /nfs/dbraw/zinc/20/30/70/341203070.db2.gz FKXLQWPJNWSUFR-WMZOPIPTSA-N 1 3 304.478 4.005 20 0 DIADHO CCSc1cccc(CN2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000547448900 341214440 /nfs/dbraw/zinc/21/44/40/341214440.db2.gz PCXYOSKHAQAQEP-UHFFFAOYSA-N 1 3 320.546 4.351 20 0 DIADHO CCSc1cccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000547448900 341214441 /nfs/dbraw/zinc/21/44/41/341214441.db2.gz PCXYOSKHAQAQEP-UHFFFAOYSA-N 1 3 320.546 4.351 20 0 DIADHO CC(C)CC[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CC1 ZINC000549237697 341289482 /nfs/dbraw/zinc/28/94/82/341289482.db2.gz XLFMUPFKRTZAGV-HXUWFJFHSA-N 1 3 315.505 4.102 20 0 DIADHO CC(C)CC[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CC1 ZINC000549237696 341289496 /nfs/dbraw/zinc/28/94/96/341289496.db2.gz XLFMUPFKRTZAGV-FQEVSTJZSA-N 1 3 315.505 4.102 20 0 DIADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000549613283 341299063 /nfs/dbraw/zinc/29/90/63/341299063.db2.gz CXINAQDYMHWCOL-QIJZPMMNSA-N 1 3 314.517 4.136 20 0 DIADHO Cc1c2cccc(Cl)c2sc1C[NH2+]CC1=CCN(C)CC1 ZINC000549804000 341303413 /nfs/dbraw/zinc/30/34/13/341303413.db2.gz RMZFYMDMAHHRIB-UHFFFAOYSA-N 1 3 320.889 4.215 20 0 DIADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000246906621 341358613 /nfs/dbraw/zinc/35/86/13/341358613.db2.gz GCEOAVXMKOPBOR-MSOLQXFVSA-N 1 3 323.484 4.131 20 0 DIADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000246906621 341358614 /nfs/dbraw/zinc/35/86/14/341358614.db2.gz GCEOAVXMKOPBOR-MSOLQXFVSA-N 1 3 323.484 4.131 20 0 DIADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000246906621 341358615 /nfs/dbraw/zinc/35/86/15/341358615.db2.gz GCEOAVXMKOPBOR-MSOLQXFVSA-N 1 3 323.484 4.131 20 0 DIADHO Cc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248407242 341376742 /nfs/dbraw/zinc/37/67/42/341376742.db2.gz UDQGIPUKWJDVFG-SCTDSRPQSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248407242 341376743 /nfs/dbraw/zinc/37/67/43/341376743.db2.gz UDQGIPUKWJDVFG-SCTDSRPQSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)cc1 ZINC000248407242 341376744 /nfs/dbraw/zinc/37/67/44/341376744.db2.gz UDQGIPUKWJDVFG-SCTDSRPQSA-N 1 3 300.490 4.299 20 0 DIADHO C[C@H](CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)N1CCCCC1 ZINC000555224956 341477599 /nfs/dbraw/zinc/47/75/99/341477599.db2.gz FJJWNPOLXWZYAE-UMGGQSCQSA-N 1 3 300.490 4.033 20 0 DIADHO [NH3+]CCC[C@@H](N[C@@H]1CCc2c1cccc2Cl)c1ccccc1 ZINC000565945522 341543290 /nfs/dbraw/zinc/54/32/90/341543290.db2.gz NROJEUXSNVXXGK-RTBURBONSA-N 1 3 314.860 4.397 20 0 DIADHO [NH3+]CCC[C@@H](N[C@H]1CCc2c1cccc2Cl)c1ccccc1 ZINC000565945508 341543335 /nfs/dbraw/zinc/54/33/35/341543335.db2.gz NROJEUXSNVXXGK-MOPGFXCFSA-N 1 3 314.860 4.397 20 0 DIADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2cccs2)c1 ZINC000163550745 341699599 /nfs/dbraw/zinc/69/95/99/341699599.db2.gz WVTVYBGABBEJDK-HNNXBMFYSA-N 1 3 302.487 4.441 20 0 DIADHO FC(F)(F)c1ccc(CNCCCCC[NH+]2CCCC2)s1 ZINC000576414997 341845305 /nfs/dbraw/zinc/84/53/05/341845305.db2.gz XMHBMEOCAKDIHW-UHFFFAOYSA-N 1 3 320.424 4.123 20 0 DIADHO CC(C)CN1CCC([NH2+][C@@H](C)c2cnc3ccsc3c2)CC1 ZINC000131217546 519720809 /nfs/dbraw/zinc/72/08/09/519720809.db2.gz HOGSNPRJJSEFCC-AWEZNQCLSA-N 1 3 317.502 4.067 20 0 DIADHO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000156740096 525401791 /nfs/dbraw/zinc/40/17/91/525401791.db2.gz BTJKGWWKEIVBEN-OAHLLOKOSA-N 1 3 316.489 4.141 20 0 DIADHO C[C@H](NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ccncc1 ZINC000266504626 525440987 /nfs/dbraw/zinc/44/09/87/525440987.db2.gz WEMAQDZPQQAYEF-ROUUACIJSA-N 1 3 323.484 4.307 20 0 DIADHO C[C@H](NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ccncc1 ZINC000266504626 525440997 /nfs/dbraw/zinc/44/09/97/525440997.db2.gz WEMAQDZPQQAYEF-ROUUACIJSA-N 1 3 323.484 4.307 20 0 DIADHO Cc1sccc1CNC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000339212893 526915402 /nfs/dbraw/zinc/91/54/02/526915402.db2.gz FYGOPNXELGBIMF-OAHLLOKOSA-N 1 3 320.527 4.120 20 0 DIADHO Cc1sccc1CNC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000339212893 526915404 /nfs/dbraw/zinc/91/54/04/526915404.db2.gz FYGOPNXELGBIMF-OAHLLOKOSA-N 1 3 320.527 4.120 20 0 DIADHO Clc1cccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CCNC4(CCC4)C3)C2)c1 ZINC000643548351 1035604640 /nfs/dbraw/zinc/60/46/40/1035604640.db2.gz ODUCMDUNWAMSLZ-KBAYOESNSA-N 1 3 318.892 4.240 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)N[C@H](C)c1csc(C(C)C)n1 ZINC000186193413 1035850616 /nfs/dbraw/zinc/85/06/16/1035850616.db2.gz JZKVCLANCHDXOR-LSDHHAIUSA-N 1 3 311.539 4.428 20 0 DIADHO CCCCN1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000037150134 1035954173 /nfs/dbraw/zinc/95/41/73/1035954173.db2.gz VVVGZPAQGOYLQM-KRWDZBQOSA-N 1 3 304.503 4.078 20 0 DIADHO CSc1ccc([C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000037786233 1036134953 /nfs/dbraw/zinc/13/49/53/1036134953.db2.gz HWHDALKHIBEVMN-CQSZACIVSA-N 1 3 306.519 4.322 20 0 DIADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccc2c(c1)CCC2 ZINC001648802625 1036373940 /nfs/dbraw/zinc/37/39/40/1036373940.db2.gz NNAZTMGCEKRHLD-UHFFFAOYSA-N 1 3 322.496 4.305 20 0 DIADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccc2c(c1)CCC2 ZINC001648802625 1036373955 /nfs/dbraw/zinc/37/39/55/1036373955.db2.gz NNAZTMGCEKRHLD-UHFFFAOYSA-N 1 3 322.496 4.305 20 0 DIADHO c1cc2cc(CNCc3ccc(C[NH+]4CCCC4)cc3)ccc2[nH]1 ZINC000655705156 1036490730 /nfs/dbraw/zinc/49/07/30/1036490730.db2.gz XWKZIHPHKQPDNR-UHFFFAOYSA-N 1 3 319.452 4.054 20 0 DIADHO Cc1ccc(CNCCCC[N@H+]2CCCC[C@@H]2C)c(Cl)c1 ZINC001648817194 1036578361 /nfs/dbraw/zinc/57/83/61/1036578361.db2.gz YIQMPLWRMQDEDL-INIZCTEOSA-N 1 3 308.897 4.393 20 0 DIADHO Cc1ccc(CNCCCC[N@@H+]2CCCC[C@@H]2C)c(Cl)c1 ZINC001648817194 1036578378 /nfs/dbraw/zinc/57/83/78/1036578378.db2.gz YIQMPLWRMQDEDL-INIZCTEOSA-N 1 3 308.897 4.393 20 0 DIADHO c1ccc([C@H]2C[C@H]2C[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000121223406 1036579662 /nfs/dbraw/zinc/57/96/62/1036579662.db2.gz WKWPSGBKBIPNIE-GHTZIAJQSA-N 1 3 312.501 4.177 20 0 DIADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1cc2ccccc2[nH]1 ZINC000683926986 1037112927 /nfs/dbraw/zinc/11/29/27/1037112927.db2.gz FGQBXAHQQNTMIQ-UHFFFAOYSA-N 1 3 321.468 4.298 20 0 DIADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1cc2ccccc2[nH]1 ZINC000683926986 1037112936 /nfs/dbraw/zinc/11/29/36/1037112936.db2.gz FGQBXAHQQNTMIQ-UHFFFAOYSA-N 1 3 321.468 4.298 20 0 DIADHO C/C(=C/c1cccc(C(F)(F)F)c1)CN[C@@H](C)CC[NH+](C)C ZINC000565679047 1037156707 /nfs/dbraw/zinc/15/67/07/1037156707.db2.gz RSUQZMCITKNSLK-ZVHGMHCTSA-N 1 3 314.395 4.039 20 0 DIADHO Cc1cc([C@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc(C)c1F ZINC000126787784 1037319619 /nfs/dbraw/zinc/31/96/19/1037319619.db2.gz IOORQLDXOMHVCW-MIGBEJBISA-N 1 3 304.453 4.108 20 0 DIADHO Cc1cc([C@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(C)c1F ZINC000126787784 1037319641 /nfs/dbraw/zinc/31/96/41/1037319641.db2.gz IOORQLDXOMHVCW-MIGBEJBISA-N 1 3 304.453 4.108 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(Cl)c(F)c2)cc1 ZINC000581005770 1037403344 /nfs/dbraw/zinc/40/33/44/1037403344.db2.gz JANKXNXIGHYVCU-NEPJUHHUSA-N 1 3 306.812 4.350 20 0 DIADHO Cc1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)s1 ZINC000065976587 1037471202 /nfs/dbraw/zinc/47/12/02/1037471202.db2.gz DQVOXCNVTKILBW-UHFFFAOYSA-N 1 3 302.487 4.187 20 0 DIADHO Cc1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)s1 ZINC000065976587 1037471212 /nfs/dbraw/zinc/47/12/12/1037471212.db2.gz DQVOXCNVTKILBW-UHFFFAOYSA-N 1 3 302.487 4.187 20 0 DIADHO CC[N@H+](CCC1CCN(Cc2ccccc2F)CC1)CC(C)C ZINC001168412616 1038011772 /nfs/dbraw/zinc/01/17/72/1038011772.db2.gz ACOUGUJGYOMLLD-UHFFFAOYSA-N 1 3 320.496 4.406 20 0 DIADHO CC[N@@H+](CCC1CCN(Cc2ccccc2F)CC1)CC(C)C ZINC001168412616 1038011795 /nfs/dbraw/zinc/01/17/95/1038011795.db2.gz ACOUGUJGYOMLLD-UHFFFAOYSA-N 1 3 320.496 4.406 20 0 DIADHO c1ccc(-c2ccc(CCN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000090468702 1038447450 /nfs/dbraw/zinc/44/74/50/1038447450.db2.gz IWVHGRQXVFPMES-FCHUYYIVSA-N 1 3 320.480 4.113 20 0 DIADHO c1ccc(-c2ccc(CCN[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000090468702 1038447459 /nfs/dbraw/zinc/44/74/59/1038447459.db2.gz IWVHGRQXVFPMES-FCHUYYIVSA-N 1 3 320.480 4.113 20 0 DIADHO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCCN2CCCCC2)C1 ZINC001167504778 1038485374 /nfs/dbraw/zinc/48/53/74/1038485374.db2.gz OOYKVNDFDRFJEJ-APWZRJJASA-N 1 3 304.453 4.085 20 0 DIADHO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCCN2CCCCC2)C1 ZINC001167504778 1038485376 /nfs/dbraw/zinc/48/53/76/1038485376.db2.gz OOYKVNDFDRFJEJ-APWZRJJASA-N 1 3 304.453 4.085 20 0 DIADHO Cc1ccccc1-c1cccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000608061141 1038761397 /nfs/dbraw/zinc/76/13/97/1038761397.db2.gz ABCQFCGHOYBLCI-PXNSSMCTSA-N 1 3 308.469 4.234 20 0 DIADHO Cc1ccccc1-c1cccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000608061141 1038761404 /nfs/dbraw/zinc/76/14/04/1038761404.db2.gz ABCQFCGHOYBLCI-PXNSSMCTSA-N 1 3 308.469 4.234 20 0 DIADHO CC(C)[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cc2ccccc2o1 ZINC000539547082 1039286057 /nfs/dbraw/zinc/28/60/57/1039286057.db2.gz NTHFUBGDHFFWMU-BEFAXECRSA-N 1 3 300.446 4.061 20 0 DIADHO CC(C)[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cc2ccccc2o1 ZINC000539547082 1039286072 /nfs/dbraw/zinc/28/60/72/1039286072.db2.gz NTHFUBGDHFFWMU-BEFAXECRSA-N 1 3 300.446 4.061 20 0 DIADHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1cccc(F)c1F ZINC000539547930 1039287328 /nfs/dbraw/zinc/28/73/28/1039287328.db2.gz VPYHKOSYEOIJRK-OAHLLOKOSA-N 1 3 310.432 4.272 20 0 DIADHO CCc1oc2ccccc2c1CNCc1ccccc1C[NH2+]C ZINC000650718365 1039377888 /nfs/dbraw/zinc/37/78/88/1039377888.db2.gz IOMXJERILWLMDR-UHFFFAOYSA-N 1 3 308.425 4.004 20 0 DIADHO Cc1ccc([C@@H](NCc2ccc(C[NH3+])cc2F)C2CCC2)cc1 ZINC000650755121 1039460568 /nfs/dbraw/zinc/46/05/68/1039460568.db2.gz ZPEDOGRLVPIQIE-FQEVSTJZSA-N 1 3 312.432 4.224 20 0 DIADHO Cc1cc([C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)C2CC2)ccc1F ZINC000540321864 1039476742 /nfs/dbraw/zinc/47/67/42/1039476742.db2.gz ZRVSITNOSIDLOJ-ZIFCJYIRSA-N 1 3 304.453 4.048 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@@H](c2cc3ccccc3o2)C(C)C)C1 ZINC000540653104 1039535960 /nfs/dbraw/zinc/53/59/60/1039535960.db2.gz QWGOEGDTNKNSCC-OXQOHEQNSA-N 1 3 314.473 4.451 20 0 DIADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)C1 ZINC000464061977 1039634706 /nfs/dbraw/zinc/63/47/06/1039634706.db2.gz LZODKSAYZGTGJT-WJFTUGDTSA-N 1 3 300.490 4.031 20 0 DIADHO COc1ccc([C@@H]([NH2+]CC[C@H](C)N2CCCCC2)C2CC2)cc1 ZINC000541559178 1039707069 /nfs/dbraw/zinc/70/70/69/1039707069.db2.gz XJJKNFVCGMVNHI-JXFKEZNVSA-N 1 3 316.489 4.000 20 0 DIADHO CCC[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3c(Cl)cccc32)C1 ZINC000541736433 1039733524 /nfs/dbraw/zinc/73/35/24/1039733524.db2.gz JLQDPDHQLKTWBV-KBXCAEBGSA-N 1 3 306.881 4.039 20 0 DIADHO CCC[N@H+]1CC[C@@H](CN[C@@H]2CCCc3c(Cl)cccc32)C1 ZINC000541736433 1039733538 /nfs/dbraw/zinc/73/35/38/1039733538.db2.gz JLQDPDHQLKTWBV-KBXCAEBGSA-N 1 3 306.881 4.039 20 0 DIADHO CCCC[NH+]1CCC(N[C@H](C)c2cc3ccncc3s2)CC1 ZINC000657857947 1039761501 /nfs/dbraw/zinc/76/15/01/1039761501.db2.gz GUWPJAZKKCJAIC-CQSZACIVSA-N 1 3 317.502 4.211 20 0 DIADHO Cc1cccc(C)c1CNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708563599 1040084011 /nfs/dbraw/zinc/08/40/11/1040084011.db2.gz ZSUWPEYTRVKGFK-FPOVZHCZSA-N 1 3 322.496 4.161 20 0 DIADHO Cc1cccc(C)c1CNC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000708563599 1040084028 /nfs/dbraw/zinc/08/40/28/1040084028.db2.gz ZSUWPEYTRVKGFK-FPOVZHCZSA-N 1 3 322.496 4.161 20 0 DIADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000708563599 1040084045 /nfs/dbraw/zinc/08/40/45/1040084045.db2.gz ZSUWPEYTRVKGFK-FPOVZHCZSA-N 1 3 322.496 4.161 20 0 DIADHO Cc1ccsc1C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309763116 1040092988 /nfs/dbraw/zinc/09/29/88/1040092988.db2.gz FHVIPDVUWZCXHC-AEFFLSMTSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000310069753 1040105462 /nfs/dbraw/zinc/10/54/62/1040105462.db2.gz CVVJJWZINBUHLO-KNQAVFIVSA-N 1 3 320.480 4.094 20 0 DIADHO Cc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000310069753 1040105471 /nfs/dbraw/zinc/10/54/71/1040105471.db2.gz CVVJJWZINBUHLO-KNQAVFIVSA-N 1 3 320.480 4.094 20 0 DIADHO C[C@@H]1C[C@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000310380610 1040118912 /nfs/dbraw/zinc/11/89/12/1040118912.db2.gz BIQDBZNNMXOERK-LZNRXBQRSA-N 1 3 320.480 4.347 20 0 DIADHO C[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000310380610 1040118924 /nfs/dbraw/zinc/11/89/24/1040118924.db2.gz BIQDBZNNMXOERK-LZNRXBQRSA-N 1 3 320.480 4.347 20 0 DIADHO CCCC[C@@H](C)[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658163172 1040335951 /nfs/dbraw/zinc/33/59/51/1040335951.db2.gz HXOPJYQNGGJJNS-QZTJIDSGSA-N 1 3 317.521 4.098 20 0 DIADHO CC[C@@H](C)C[C@H](CC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167915 1040339426 /nfs/dbraw/zinc/33/94/26/1040339426.db2.gz USFWIHPPGLRLPQ-XLIONFOSSA-N 1 3 317.521 4.098 20 0 DIADHO CC[C@H](C[C@@H](C)CC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167909 1040339641 /nfs/dbraw/zinc/33/96/41/1040339641.db2.gz USFWIHPPGLRLPQ-FXAWDEMLSA-N 1 3 317.521 4.098 20 0 DIADHO COc1ccc([C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)c(C)c1 ZINC000414116241 1040884794 /nfs/dbraw/zinc/88/47/94/1040884794.db2.gz QMYWVFYXEZQFCO-INIZCTEOSA-N 1 3 316.489 4.061 20 0 DIADHO CCCC[N@H+](C)CC1CCN(Cc2cccc(Cl)c2)CC1 ZINC000613491850 1041003766 /nfs/dbraw/zinc/00/37/66/1041003766.db2.gz AZWSOXRBPYYFLK-UHFFFAOYSA-N 1 3 308.897 4.284 20 0 DIADHO CCCC[N@@H+](C)CC1CCN(Cc2cccc(Cl)c2)CC1 ZINC000613491850 1041003783 /nfs/dbraw/zinc/00/37/83/1041003783.db2.gz AZWSOXRBPYYFLK-UHFFFAOYSA-N 1 3 308.897 4.284 20 0 DIADHO COC1([C@@H](C)NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCC1 ZINC000414306579 1041102617 /nfs/dbraw/zinc/10/26/17/1041102617.db2.gz OKHROWVGVMKIKU-MRXNPFEDSA-N 1 3 324.553 4.213 20 0 DIADHO CN(Cc1ccccc1-c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000809705664 1041227846 /nfs/dbraw/zinc/22/78/46/1041227846.db2.gz ZETKFJXCLUSULN-WCRBZPEASA-N 1 3 320.480 4.411 20 0 DIADHO CN(Cc1ccccc1-c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000809705664 1041227859 /nfs/dbraw/zinc/22/78/59/1041227859.db2.gz ZETKFJXCLUSULN-WCRBZPEASA-N 1 3 320.480 4.411 20 0 DIADHO CN(Cc1coc2ccccc12)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738110 1041239978 /nfs/dbraw/zinc/23/99/78/1041239978.db2.gz PCPAJYUZZPXYTE-UHFFFAOYSA-N 1 3 308.425 4.126 20 0 DIADHO CC(C)[NH2+]C1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000660065464 1041597536 /nfs/dbraw/zinc/59/75/36/1041597536.db2.gz WSVUBMFWKJZCQR-IEBWSBKVSA-N 1 3 300.490 4.033 20 0 DIADHO COc1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc12 ZINC000364439478 1041790640 /nfs/dbraw/zinc/79/06/40/1041790640.db2.gz DZXFPKHNBNFTPQ-ULQDDVLXSA-N 1 3 324.468 4.126 20 0 DIADHO COc1ccc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc12 ZINC000364439478 1041790646 /nfs/dbraw/zinc/79/06/46/1041790646.db2.gz DZXFPKHNBNFTPQ-ULQDDVLXSA-N 1 3 324.468 4.126 20 0 DIADHO CC[C@H](OCC[NH2+]C1CCN(C(C)(C)C)CC1)c1ccccc1 ZINC000651908754 1041949466 /nfs/dbraw/zinc/94/94/66/1041949466.db2.gz MPLGGQVJPFIBIX-IBGZPJMESA-N 1 3 318.505 4.007 20 0 DIADHO Cc1cc(F)ccc1[C@H](C)NCc1cccc(C[NH+](C)C)c1 ZINC000815556495 1041962506 /nfs/dbraw/zinc/96/25/06/1041962506.db2.gz WODJXQSQNFJOQQ-HNNXBMFYSA-N 1 3 300.421 4.047 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C(C1CCCC1)C1CCCC1 ZINC000817895677 1042128091 /nfs/dbraw/zinc/12/80/91/1042128091.db2.gz WSCZLQUEVLHUMJ-OAHLLOKOSA-N 1 3 315.505 4.248 20 0 DIADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(OCCC)cc2)CC1 ZINC000319725071 1042226967 /nfs/dbraw/zinc/22/69/67/1042226967.db2.gz BKYRTZKBVJXRIF-KRWDZBQOSA-N 1 3 318.505 4.391 20 0 DIADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171018638 1042328377 /nfs/dbraw/zinc/32/83/77/1042328377.db2.gz UYVIPQYYCGZMEV-WBVHZDCISA-N 1 3 320.908 4.051 20 0 DIADHO Cc1cccc2c1OCC[C@@H]2N[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924885634 1042472000 /nfs/dbraw/zinc/47/20/00/1042472000.db2.gz IKQCVKVHDOKADH-UZLBHIALSA-N 1 3 324.468 4.231 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000513340047 1042533841 /nfs/dbraw/zinc/53/38/41/1042533841.db2.gz GNRXGZDGQJVQMB-KBPBESRZSA-N 1 3 320.443 4.208 20 0 DIADHO Clc1ccccc1C1CC(NC2CC([NH+]3CCCCC3)C2)C1 ZINC000513381002 1042536275 /nfs/dbraw/zinc/53/62/75/1042536275.db2.gz OAPFNRYTZZTXSQ-UHFFFAOYSA-N 1 3 318.892 4.193 20 0 DIADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccncc1Cl ZINC000421819845 1042653524 /nfs/dbraw/zinc/65/35/24/1042653524.db2.gz JHQDORFJDLKERZ-LSDHHAIUSA-N 1 3 309.885 4.040 20 0 DIADHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccncc1Cl ZINC000421819845 1042653528 /nfs/dbraw/zinc/65/35/28/1042653528.db2.gz JHQDORFJDLKERZ-LSDHHAIUSA-N 1 3 309.885 4.040 20 0 DIADHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccncc1Cl ZINC000421819843 1042653542 /nfs/dbraw/zinc/65/35/42/1042653542.db2.gz JHQDORFJDLKERZ-GJZGRUSLSA-N 1 3 309.885 4.040 20 0 DIADHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccncc1Cl ZINC000421819843 1042653546 /nfs/dbraw/zinc/65/35/46/1042653546.db2.gz JHQDORFJDLKERZ-GJZGRUSLSA-N 1 3 309.885 4.040 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000422716978 1042688856 /nfs/dbraw/zinc/68/88/56/1042688856.db2.gz VBFYAAPKQDZXOK-TXPKVOOTSA-N 1 3 303.494 4.104 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000422785225 1042689954 /nfs/dbraw/zinc/68/99/54/1042689954.db2.gz MZQOPQZBKPJVKU-AUUYWEPGSA-N 1 3 315.436 4.036 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000422778378 1042690054 /nfs/dbraw/zinc/69/00/54/1042690054.db2.gz HIKZLWBGMGQFDE-IERDGZPVSA-N 1 3 323.484 4.431 20 0 DIADHO N[C@H]1C[C@H]([NH2+]CC2(Sc3ccccc3)CC2)c2ccccc21 ZINC000422904009 1042692233 /nfs/dbraw/zinc/69/22/33/1042692233.db2.gz GINDPTKFFPUDFD-ROUUACIJSA-N 1 3 310.466 4.046 20 0 DIADHO CC(C)[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000422996226 1042695409 /nfs/dbraw/zinc/69/54/09/1042695409.db2.gz LKIYPYHKKKTQTG-HZPDHXFCSA-N 1 3 314.395 4.134 20 0 DIADHO C[C@H](CCC[NH3+])NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000423069565 1042696409 /nfs/dbraw/zinc/69/64/09/1042696409.db2.gz DVNGYKCOZWNXOY-SNVBAGLBSA-N 1 3 320.786 4.065 20 0 DIADHO [NH3+][C@@H]1C[C@H](N[C@H]2CC[C@H](c3ccc(F)cc3)C2)c2ccccc21 ZINC000423084925 1042696987 /nfs/dbraw/zinc/69/69/87/1042696987.db2.gz JBQGAVLQCBHWFW-UQOODKLHSA-N 1 3 310.416 4.196 20 0 DIADHO C[C@@H]([NH3+])C[C@@H](C)N[C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423077782 1042697187 /nfs/dbraw/zinc/69/71/87/1042697187.db2.gz UNMGYLMQIYDWLK-BRWVUGGUSA-N 1 3 312.457 4.042 20 0 DIADHO [NH3+][C@H]1C[C@@H](NC[C@H]2CCCC[C@H]2C(F)(F)F)c2ccccc21 ZINC000423126730 1042697733 /nfs/dbraw/zinc/69/77/33/1042697733.db2.gz OQJHQFXRAXGMIY-BQDHKBFISA-N 1 3 312.379 4.090 20 0 DIADHO CC(C)[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(F)c(F)c1 ZINC000423290062 1042704050 /nfs/dbraw/zinc/70/40/50/1042704050.db2.gz CFWRVKAARCUFRF-ORAYPTAESA-N 1 3 318.411 4.471 20 0 DIADHO CCCOc1ccc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423291080 1042704236 /nfs/dbraw/zinc/70/42/36/1042704236.db2.gz GPPOOJBMXRWQDP-HOTGVXAUSA-N 1 3 312.457 4.346 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000423292093 1042705068 /nfs/dbraw/zinc/70/50/68/1042705068.db2.gz LICYDOJLZMVUKA-KZULUSFZSA-N 1 3 300.833 4.137 20 0 DIADHO COc1cccc2cc([C@H](C)NCc3ccc([C@@H](C)[NH3+])cc3)oc21 ZINC000423292124 1042705222 /nfs/dbraw/zinc/70/52/22/1042705222.db2.gz LMMGURPUAQCYIH-KGLIPLIRSA-N 1 3 324.424 4.312 20 0 DIADHO Cc1cc2c(cc1C)[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)CCCO2 ZINC000423291918 1042705293 /nfs/dbraw/zinc/70/52/93/1042705293.db2.gz KNOPVAKDRXRJST-UZLBHIALSA-N 1 3 324.468 4.327 20 0 DIADHO CC[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1cc(C)ccc1OC ZINC000423293970 1042706284 /nfs/dbraw/zinc/70/62/84/1042706284.db2.gz SRZIXMZKMBBJKO-BEFAXECRSA-N 1 3 312.457 4.264 20 0 DIADHO C[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccc(F)c2ccccc21 ZINC000423332297 1042706779 /nfs/dbraw/zinc/70/67/79/1042706779.db2.gz HFOYARVWRBENLJ-KUHUBIRLSA-N 1 3 300.421 4.019 20 0 DIADHO CCSc1ccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423374188 1042707327 /nfs/dbraw/zinc/70/73/27/1042707327.db2.gz HZEJNPMJQPDKNT-CQSZACIVSA-N 1 3 312.482 4.253 20 0 DIADHO CCSc1ccccc1[C@@H](C)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423370759 1042708183 /nfs/dbraw/zinc/70/81/83/1042708183.db2.gz FVSXYIRSSGXFMJ-CQSZACIVSA-N 1 3 312.482 4.253 20 0 DIADHO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+][C@H](C)[C@@H](C)N ZINC000423451015 1042712735 /nfs/dbraw/zinc/71/27/35/1042712735.db2.gz UIGLCWZQNYGACI-MXWKQRLJSA-N 1 3 323.893 4.158 20 0 DIADHO CC[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1F ZINC000423497409 1042716600 /nfs/dbraw/zinc/71/66/00/1042716600.db2.gz GWEUQFZGGYJMPP-RBUKOAKNSA-N 1 3 318.411 4.486 20 0 DIADHO CN1CCC[C@H]2C[N@@H+](C(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000514083311 1042770182 /nfs/dbraw/zinc/77/01/82/1042770182.db2.gz MJPPXWVSVSCFMG-LEWJYISDSA-N 1 3 320.480 4.192 20 0 DIADHO CN1CCC[C@H]2C[N@H+](C(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000514083311 1042770186 /nfs/dbraw/zinc/77/01/86/1042770186.db2.gz MJPPXWVSVSCFMG-LEWJYISDSA-N 1 3 320.480 4.192 20 0 DIADHO c1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C2CC2)cc1 ZINC001167958521 1042790406 /nfs/dbraw/zinc/79/04/06/1042790406.db2.gz GQLCLYVHWWGOHR-VTHDOGFWSA-N 1 3 310.485 4.133 20 0 DIADHO c1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CC2)cc1 ZINC001167958521 1042790410 /nfs/dbraw/zinc/79/04/10/1042790410.db2.gz GQLCLYVHWWGOHR-VTHDOGFWSA-N 1 3 310.485 4.133 20 0 DIADHO c1ccc(C2(NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CCCC2)cc1 ZINC001167963779 1042914823 /nfs/dbraw/zinc/91/48/23/1042914823.db2.gz DGZNOOBBHYVXMV-SEJPIABJSA-N 1 3 324.512 4.451 20 0 DIADHO c1ccc(C2(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCCC2)cc1 ZINC001167963779 1042914826 /nfs/dbraw/zinc/91/48/26/1042914826.db2.gz DGZNOOBBHYVXMV-SEJPIABJSA-N 1 3 324.512 4.451 20 0 DIADHO C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC(C)(C)C1 ZINC001167967600 1042954285 /nfs/dbraw/zinc/95/42/85/1042954285.db2.gz IKLVASCBNYFUAU-OWZPZPLSSA-N 1 3 304.522 4.196 20 0 DIADHO CN(CCCc1ccc(Cl)cc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000441359284 1043038200 /nfs/dbraw/zinc/03/82/00/1043038200.db2.gz QWZWZAUCRSJJKY-SFHVURJKSA-N 1 3 308.897 4.079 20 0 DIADHO CN(CCCc1ccc(Cl)cc1)CC[C@@H]1CCCC[N@H+]1C ZINC000441359284 1043038203 /nfs/dbraw/zinc/03/82/03/1043038203.db2.gz QWZWZAUCRSJJKY-SFHVURJKSA-N 1 3 308.897 4.079 20 0 DIADHO c1ccc([C@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001167991986 1043055341 /nfs/dbraw/zinc/05/53/41/1043055341.db2.gz GDCSHMLHMVXWST-CCDCCJRHSA-N 1 3 324.512 4.271 20 0 DIADHO c1ccc([C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001167991986 1043055352 /nfs/dbraw/zinc/05/53/52/1043055352.db2.gz GDCSHMLHMVXWST-CCDCCJRHSA-N 1 3 324.512 4.271 20 0 DIADHO Cc1ccc2c(c1)CC[C@H]2NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000794827911 1043068339 /nfs/dbraw/zinc/06/83/39/1043068339.db2.gz MBGRMVYOVVQCOX-DENIHFKCSA-N 1 3 320.480 4.094 20 0 DIADHO Cc1ccc2c(c1)CC[C@H]2NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794827911 1043068350 /nfs/dbraw/zinc/06/83/50/1043068350.db2.gz MBGRMVYOVVQCOX-DENIHFKCSA-N 1 3 320.480 4.094 20 0 DIADHO c1csc([C@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167995869 1043079920 /nfs/dbraw/zinc/07/99/20/1043079920.db2.gz TYTQURQIOMYPGU-UJJTZGENSA-N 1 3 316.514 4.290 20 0 DIADHO c1csc([C@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167995869 1043079934 /nfs/dbraw/zinc/07/99/34/1043079934.db2.gz TYTQURQIOMYPGU-UJJTZGENSA-N 1 3 316.514 4.290 20 0 DIADHO c1csc([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)N3CC2CC2)c1 ZINC001167995869 1043079945 /nfs/dbraw/zinc/07/99/45/1043079945.db2.gz TYTQURQIOMYPGU-UJJTZGENSA-N 1 3 316.514 4.290 20 0 DIADHO c1csc([C@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)N3CC2CC2)c1 ZINC001167995869 1043079958 /nfs/dbraw/zinc/07/99/58/1043079958.db2.gz TYTQURQIOMYPGU-UJJTZGENSA-N 1 3 316.514 4.290 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2sc(C)nc2C)c1 ZINC000178737150 1043137442 /nfs/dbraw/zinc/13/74/42/1043137442.db2.gz JZQNNRLZASWWHZ-ZDUSSCGKSA-N 1 3 317.502 4.062 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2sc(C)nc2C)c1 ZINC000178737150 1043137447 /nfs/dbraw/zinc/13/74/47/1043137447.db2.gz JZQNNRLZASWWHZ-ZDUSSCGKSA-N 1 3 317.502 4.062 20 0 DIADHO Clc1ccc(CCCN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441463915 1043143605 /nfs/dbraw/zinc/14/36/05/1043143605.db2.gz MAGKZSWDIFDJAQ-SFHVURJKSA-N 1 3 320.908 4.080 20 0 DIADHO Cc1cncc([C@@H](C)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000184277862 1043180422 /nfs/dbraw/zinc/18/04/22/1043180422.db2.gz VQBCCEIYSFSWIC-QGZVFWFLSA-N 1 3 311.473 4.081 20 0 DIADHO Cc1cncc([C@@H](C)NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000184277862 1043180428 /nfs/dbraw/zinc/18/04/28/1043180428.db2.gz VQBCCEIYSFSWIC-QGZVFWFLSA-N 1 3 311.473 4.081 20 0 DIADHO c1ccc(C[N@H+](C2CCC2)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)cc1 ZINC001168002398 1043209763 /nfs/dbraw/zinc/20/97/63/1043209763.db2.gz QXHNAECZUWUOTQ-CBQGHPETSA-N 1 3 324.512 4.447 20 0 DIADHO c1ccc(C[N@@H+](C2CCC2)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)cc1 ZINC001168002398 1043209773 /nfs/dbraw/zinc/20/97/73/1043209773.db2.gz QXHNAECZUWUOTQ-CBQGHPETSA-N 1 3 324.512 4.447 20 0 DIADHO c1ccc(CN(C2CCC2)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001168002398 1043209779 /nfs/dbraw/zinc/20/97/79/1043209779.db2.gz QXHNAECZUWUOTQ-CBQGHPETSA-N 1 3 324.512 4.447 20 0 DIADHO c1ccc(CN(C2CCC2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001168002398 1043209788 /nfs/dbraw/zinc/20/97/88/1043209788.db2.gz QXHNAECZUWUOTQ-CBQGHPETSA-N 1 3 324.512 4.447 20 0 DIADHO Cc1cc2c(cc1C)[C@H]([NH2+]CC(C)(C)CN(C)C)CCS2 ZINC000427593882 1043212649 /nfs/dbraw/zinc/21/26/49/1043212649.db2.gz WAGFBLIJGURUNY-MRXNPFEDSA-N 1 3 306.519 4.018 20 0 DIADHO Cc1ccncc1[C@H](C)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000427854971 1043310323 /nfs/dbraw/zinc/31/03/23/1043310323.db2.gz ROSMPNWDLLDPFH-GHTZIAJQSA-N 1 3 323.484 4.095 20 0 DIADHO Cc1ccncc1[C@H](C)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000427854971 1043310330 /nfs/dbraw/zinc/31/03/30/1043310330.db2.gz ROSMPNWDLLDPFH-GHTZIAJQSA-N 1 3 323.484 4.095 20 0 DIADHO Cc1ccncc1[C@@H](C)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000427854972 1043310427 /nfs/dbraw/zinc/31/04/27/1043310427.db2.gz ROSMPNWDLLDPFH-NQIIRXRSSA-N 1 3 323.484 4.095 20 0 DIADHO Cc1ccncc1[C@@H](C)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000427854972 1043310432 /nfs/dbraw/zinc/31/04/32/1043310432.db2.gz ROSMPNWDLLDPFH-NQIIRXRSSA-N 1 3 323.484 4.095 20 0 DIADHO Cc1ccncc1[C@H](C)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000271343442 1043411498 /nfs/dbraw/zinc/41/14/98/1043411498.db2.gz CKEUJVADAGTNKG-KRWDZBQOSA-N 1 3 311.473 4.081 20 0 DIADHO Cc1ccncc1[C@H](C)NCc1ccccc1C[N@H+](C)C(C)C ZINC000271343442 1043411506 /nfs/dbraw/zinc/41/15/06/1043411506.db2.gz CKEUJVADAGTNKG-KRWDZBQOSA-N 1 3 311.473 4.081 20 0 DIADHO Cc1ccncc1[C@@H](C)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000271343446 1043413055 /nfs/dbraw/zinc/41/30/55/1043413055.db2.gz CKEUJVADAGTNKG-QGZVFWFLSA-N 1 3 311.473 4.081 20 0 DIADHO Cc1ccncc1[C@@H](C)NCc1ccccc1C[N@H+](C)C(C)C ZINC000271343446 1043413061 /nfs/dbraw/zinc/41/30/61/1043413061.db2.gz CKEUJVADAGTNKG-QGZVFWFLSA-N 1 3 311.473 4.081 20 0 DIADHO [NH3+]CCC[C@@H](NCc1ccccc1OCC1CC1)c1ccccc1 ZINC000925514704 1043424625 /nfs/dbraw/zinc/42/46/25/1043424625.db2.gz ONBYWTORRLCQRQ-HXUWFJFHSA-N 1 3 324.468 4.045 20 0 DIADHO Cc1ccncc1[C@@H](C)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000271523901 1043428318 /nfs/dbraw/zinc/42/83/18/1043428318.db2.gz WFXLQXJRPSEVQR-GOSISDBHSA-N 1 3 323.484 4.227 20 0 DIADHO [NH3+]CCC[C@H](NCc1ccc(C2CC2)cc1F)c1ccccc1 ZINC000925671187 1043449497 /nfs/dbraw/zinc/44/94/97/1043449497.db2.gz BUMAJEGPVVNMTL-FQEVSTJZSA-N 1 3 312.432 4.273 20 0 DIADHO CCc1cnccc1[C@H](C)N[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925685598 1043454659 /nfs/dbraw/zinc/45/46/59/1043454659.db2.gz NSWCGAVJYAXLTJ-CVEARBPZSA-N 1 3 311.473 4.117 20 0 DIADHO COc1ccc(C2CC2)cc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000925734648 1043459335 /nfs/dbraw/zinc/45/93/35/1043459335.db2.gz BTJNNHMUCSVXMK-HXUWFJFHSA-N 1 3 324.468 4.142 20 0 DIADHO CCC[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(Cl)cc1 ZINC000925780554 1043472146 /nfs/dbraw/zinc/47/21/46/1043472146.db2.gz SYLMNBIMUVTMCR-DZGCQCFKSA-N 1 3 316.823 4.016 20 0 DIADHO C/C(=C\c1ccccc1)CNCCC[N@@H+](C)Cc1ccccc1 ZINC000521821485 1043486799 /nfs/dbraw/zinc/48/67/99/1043486799.db2.gz YNLJWCSYKLTCMC-KNTRCKAVSA-N 1 3 308.469 4.202 20 0 DIADHO C/C(=C\c1ccccc1)CNCCC[N@H+](C)Cc1ccccc1 ZINC000521821485 1043486801 /nfs/dbraw/zinc/48/68/01/1043486801.db2.gz YNLJWCSYKLTCMC-KNTRCKAVSA-N 1 3 308.469 4.202 20 0 DIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(C(C)(C)C)s1 ZINC000873282909 1043531349 /nfs/dbraw/zinc/53/13/49/1043531349.db2.gz WZUJICSJFAIYOG-GFCCVEGCSA-N 1 3 317.502 4.059 20 0 DIADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(C(C)(C)C)s1 ZINC000873282914 1043532356 /nfs/dbraw/zinc/53/23/56/1043532356.db2.gz WZUJICSJFAIYOG-LBPRGKRZSA-N 1 3 317.502 4.059 20 0 DIADHO CCC(F)(F)C(C)(C)C[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926756722 1043627186 /nfs/dbraw/zinc/62/71/86/1043627186.db2.gz KOCQQGDOOPNMKY-UHFFFAOYSA-N 1 3 304.469 4.158 20 0 DIADHO C[C@@H](N[C@@H](C)c1cccc(C[NH+](C)C)c1)c1cc2cnccc2o1 ZINC000926813136 1043637778 /nfs/dbraw/zinc/63/77/78/1043637778.db2.gz RGQSFCQRSBXIFB-LSDHHAIUSA-N 1 3 323.440 4.301 20 0 DIADHO CC(C)O[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccccc1 ZINC000876949460 1043725416 /nfs/dbraw/zinc/72/54/16/1043725416.db2.gz WTVFLMBIYOYBQU-IBGZPJMESA-N 1 3 318.505 4.005 20 0 DIADHO CCC[NH+]1CCC(N[C@@H](CCCCOC)c2ccccc2)CC1 ZINC000355298761 1043758823 /nfs/dbraw/zinc/75/88/23/1043758823.db2.gz XMIQHUPXGJYWOM-FQEVSTJZSA-N 1 3 318.505 4.008 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000355531867 1043775220 /nfs/dbraw/zinc/77/52/20/1043775220.db2.gz LEMHABZMPHUISL-GOSISDBHSA-N 1 3 304.453 4.056 20 0 DIADHO CC[C@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccc(OC)cc1 ZINC000346864331 1044162563 /nfs/dbraw/zinc/16/25/63/1044162563.db2.gz GEBNPHJAHOCDSH-LPHOPBHVSA-N 1 3 304.478 4.000 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc2cccnc21 ZINC001137177937 1044166270 /nfs/dbraw/zinc/16/62/70/1044166270.db2.gz HWQMPMYQOMWGER-VQTJNVASSA-N 1 3 323.484 4.074 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc2cccnc21 ZINC001137177937 1044166273 /nfs/dbraw/zinc/16/62/73/1044166273.db2.gz HWQMPMYQOMWGER-VQTJNVASSA-N 1 3 323.484 4.074 20 0 DIADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cccc2cccnc21 ZINC001137177937 1044166277 /nfs/dbraw/zinc/16/62/77/1044166277.db2.gz HWQMPMYQOMWGER-VQTJNVASSA-N 1 3 323.484 4.074 20 0 DIADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cccc2cccnc21 ZINC001137177937 1044166282 /nfs/dbraw/zinc/16/62/82/1044166282.db2.gz HWQMPMYQOMWGER-VQTJNVASSA-N 1 3 323.484 4.074 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](c2cccnc2)C2CCC2)c1 ZINC000360840031 1044318185 /nfs/dbraw/zinc/31/81/85/1044318185.db2.gz KOINENWYWAJVQA-OAQYLSRUSA-N 1 3 323.484 4.164 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](c2cccnc2)C2CCC2)c1 ZINC000360840031 1044318197 /nfs/dbraw/zinc/31/81/97/1044318197.db2.gz KOINENWYWAJVQA-OAQYLSRUSA-N 1 3 323.484 4.164 20 0 DIADHO Clc1ccc(CC2(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000293780238 1044326432 /nfs/dbraw/zinc/32/64/32/1044326432.db2.gz TVTXDUSABDEVPV-MSOLQXFVSA-N 1 3 318.892 4.022 20 0 DIADHO Clc1ccc(CC2(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000293780238 1044326445 /nfs/dbraw/zinc/32/64/45/1044326445.db2.gz TVTXDUSABDEVPV-MSOLQXFVSA-N 1 3 318.892 4.022 20 0 DIADHO C[C@H]1CCCCN1CCC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000565269221 1044423751 /nfs/dbraw/zinc/42/37/51/1044423751.db2.gz AFGBFEPFORVYOP-ASFAAARLSA-N 1 3 322.443 4.065 20 0 DIADHO C[C@H]1CCCC[N@@H+]1CCCNC1CC(c2cc(F)cc(F)c2)C1 ZINC000565269221 1044423757 /nfs/dbraw/zinc/42/37/57/1044423757.db2.gz AFGBFEPFORVYOP-ASFAAARLSA-N 1 3 322.443 4.065 20 0 DIADHO C[C@H]1CCCC[N@H+]1CCCNC1CC(c2cc(F)cc(F)c2)C1 ZINC000565269221 1044423763 /nfs/dbraw/zinc/42/37/63/1044423763.db2.gz AFGBFEPFORVYOP-ASFAAARLSA-N 1 3 322.443 4.065 20 0 DIADHO C[C@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cccnc1 ZINC000112523670 1044440575 /nfs/dbraw/zinc/44/05/75/1044440575.db2.gz XHNWTTDBMRTYIN-SFHVURJKSA-N 1 3 323.484 4.164 20 0 DIADHO CC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000361765843 1044441994 /nfs/dbraw/zinc/44/19/94/1044441994.db2.gz LMRAYKHUBZSJGM-YYWHXJBOSA-N 1 3 323.484 4.033 20 0 DIADHO CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000361765843 1044441998 /nfs/dbraw/zinc/44/19/98/1044441998.db2.gz LMRAYKHUBZSJGM-YYWHXJBOSA-N 1 3 323.484 4.033 20 0 DIADHO C[C@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cccnc1 ZINC000112527752 1044443611 /nfs/dbraw/zinc/44/36/11/1044443611.db2.gz KLDMJIPIOAMFSH-ROUUACIJSA-N 1 3 323.484 4.164 20 0 DIADHO C[C@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cccnc1 ZINC000112527752 1044443615 /nfs/dbraw/zinc/44/36/15/1044443615.db2.gz KLDMJIPIOAMFSH-ROUUACIJSA-N 1 3 323.484 4.164 20 0 DIADHO Fc1cccc(Cl)c1CCCNC1CC([NH+]2CCCCC2)C1 ZINC000475544752 1044494838 /nfs/dbraw/zinc/49/48/38/1044494838.db2.gz BQPDAEPTISIARL-UHFFFAOYSA-N 1 3 324.871 4.018 20 0 DIADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cc(Cl)cc(Cl)c1 ZINC000296029603 1044585433 /nfs/dbraw/zinc/58/54/33/1044585433.db2.gz SQAPFDRKIXSPSS-BSMOJHTGSA-N 1 3 313.272 4.269 20 0 DIADHO Cc1cc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cs1 ZINC000296586198 1044632126 /nfs/dbraw/zinc/63/21/26/1044632126.db2.gz XFCHWIHKGCMHNC-UHFFFAOYSA-N 1 3 302.487 4.187 20 0 DIADHO Cc1cc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cs1 ZINC000296586198 1044632135 /nfs/dbraw/zinc/63/21/35/1044632135.db2.gz XFCHWIHKGCMHNC-UHFFFAOYSA-N 1 3 302.487 4.187 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000573950982 1044933448 /nfs/dbraw/zinc/93/34/48/1044933448.db2.gz HHONJGNHPHJLFD-KFKAGJAMSA-N 1 3 323.484 4.226 20 0 DIADHO Clc1ccc(CCCN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000524893262 1044943421 /nfs/dbraw/zinc/94/34/21/1044943421.db2.gz JEKUEHFWYLILLX-IBGZPJMESA-N 1 3 320.908 4.223 20 0 DIADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000151143026 1045017233 /nfs/dbraw/zinc/01/72/33/1045017233.db2.gz GCEOAVXMKOPBOR-ZWKOTPCHSA-N 1 3 323.484 4.131 20 0 DIADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000151143026 1045017247 /nfs/dbraw/zinc/01/72/47/1045017247.db2.gz GCEOAVXMKOPBOR-ZWKOTPCHSA-N 1 3 323.484 4.131 20 0 DIADHO Cc1ccc([C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C2CCCC2)cc1 ZINC000446748889 1045028960 /nfs/dbraw/zinc/02/89/60/1045028960.db2.gz VBEXYJOQTGGNMO-PCCBWWKXSA-N 1 3 312.501 4.443 20 0 DIADHO Cc1ccc([C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C2CCCC2)cc1 ZINC000446748889 1045028972 /nfs/dbraw/zinc/02/89/72/1045028972.db2.gz VBEXYJOQTGGNMO-PCCBWWKXSA-N 1 3 312.501 4.443 20 0 DIADHO C[C@@H](CC[NH2+]C1CCN(CC2CCCC2)CC1)c1ccccc1 ZINC000446816481 1045042524 /nfs/dbraw/zinc/04/25/24/1045042524.db2.gz FSFUYTOZDQKMRT-SFHVURJKSA-N 1 3 314.517 4.424 20 0 DIADHO CC(C)c1ccc2c(c1)[C@H](NCc1ccc(C[NH3+])cc1)CCCO2 ZINC000577221522 1045108412 /nfs/dbraw/zinc/10/84/12/1045108412.db2.gz RJDVHCMVPOYLSV-HXUWFJFHSA-N 1 3 324.468 4.272 20 0 DIADHO C[C@@H](CCN1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000447726446 1045167700 /nfs/dbraw/zinc/16/77/00/1045167700.db2.gz FUXOEBRQHQBPMG-ICSRJNTNSA-N 1 3 300.490 4.131 20 0 DIADHO C[C@H](N[C@@H]1CCCOc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000924884154 1045208488 /nfs/dbraw/zinc/20/84/88/1045208488.db2.gz WPGIHVQKRBXMCC-OXJNMPFZSA-N 1 3 324.468 4.313 20 0 DIADHO c1cc2ccc(CNCc3cccc(C[NH+]4CCCC4)c3)cc2[nH]1 ZINC000527634020 1045242660 /nfs/dbraw/zinc/24/26/60/1045242660.db2.gz IONFGQJQPCTLJP-UHFFFAOYSA-N 1 3 319.452 4.054 20 0 DIADHO [NH3+]Cc1ccc(CN[C@@H]2CCSc3c(Cl)cccc32)cc1 ZINC000579593302 1045324003 /nfs/dbraw/zinc/32/40/03/1045324003.db2.gz ATVMWKRLJPHUTA-MRXNPFEDSA-N 1 3 318.873 4.125 20 0 DIADHO CC[NH+](CC)CC1CCN(C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000579646569 1045328198 /nfs/dbraw/zinc/32/81/98/1045328198.db2.gz YHPGYWVIHHCIBO-WAYWQWQTSA-N 1 3 322.443 4.032 20 0 DIADHO CC[NH+](CC)Cc1cccc(CNCc2csc(C)c2)c1 ZINC000449086785 1045342712 /nfs/dbraw/zinc/34/27/12/1045342712.db2.gz CJRRAAOTAJYNBO-UHFFFAOYSA-N 1 3 302.487 4.188 20 0 DIADHO C[NH+](C)CCCC(C)(C)NCc1csc(Cl)c1Cl ZINC000449527357 1045407390 /nfs/dbraw/zinc/40/73/90/1045407390.db2.gz HUMMEKNEZCEIKQ-UHFFFAOYSA-N 1 3 309.306 4.265 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)Cc2coc3ccccc23)C1 ZINC000449129632 1045350325 /nfs/dbraw/zinc/35/03/25/1045350325.db2.gz DABVCRFRUPCUBS-IRXDYDNUSA-N 1 3 314.473 4.074 20 0 DIADHO CS[C@H](C)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449197020 1045362393 /nfs/dbraw/zinc/36/23/93/1045362393.db2.gz YDPHEGDSDIQOSM-CQSZACIVSA-N 1 3 300.556 4.007 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCCc3c(F)cccc32)CC1 ZINC000449350812 1045379878 /nfs/dbraw/zinc/37/98/78/1045379878.db2.gz NMXINHSZMUPOKW-GOSISDBHSA-N 1 3 304.453 4.056 20 0 DIADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3CCCC3(F)F)CC2)C1 ZINC000449500513 1045403248 /nfs/dbraw/zinc/40/32/48/1045403248.db2.gz UZGNEVCCXJVQPS-BFYDXBDKSA-N 1 3 314.464 4.055 20 0 DIADHO CO[C@@H]([C@H](C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000449631195 1045422289 /nfs/dbraw/zinc/42/22/89/1045422289.db2.gz OKCUFRVIMHNVTC-YJBOKZPZSA-N 1 3 324.553 4.069 20 0 DIADHO C[C@]12C[C@H]1CCC[C@H]2[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000800474383 1045623325 /nfs/dbraw/zinc/62/33/25/1045623325.db2.gz KAULHLHQBQOZDM-RLLQIKCJSA-N 1 3 304.522 4.199 20 0 DIADHO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000800474381 1045623368 /nfs/dbraw/zinc/62/33/68/1045623368.db2.gz KAULHLHQBQOZDM-HOJAQTOUSA-N 1 3 304.522 4.199 20 0 DIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCCc3ncccc32)c1 ZINC000631577721 1045876396 /nfs/dbraw/zinc/87/63/96/1045876396.db2.gz VGFWQFZDPRYQFB-OAQYLSRUSA-N 1 3 323.484 4.089 20 0 DIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCCc3ncccc32)c1 ZINC000631577721 1045876415 /nfs/dbraw/zinc/87/64/15/1045876415.db2.gz VGFWQFZDPRYQFB-OAQYLSRUSA-N 1 3 323.484 4.089 20 0 DIADHO C[C@H]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)c2sccc21 ZINC000453067478 1045914977 /nfs/dbraw/zinc/91/49/77/1045914977.db2.gz WOOATRLUTHRNMG-GUYCJALGSA-N 1 3 304.503 4.151 20 0 DIADHO C[C@@H]1CC[C@@H](NC2CC[NH+](C3CCC3)CC2)c2sccc21 ZINC000453082661 1045929903 /nfs/dbraw/zinc/92/99/03/1045929903.db2.gz MEGMNDCLBTZYOE-CXAGYDPISA-N 1 3 304.503 4.293 20 0 DIADHO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-c2cccnc2)cc1 ZINC000902333184 1045978784 /nfs/dbraw/zinc/97/87/84/1045978784.db2.gz HUNUBESLEKHTJU-OXJNMPFZSA-N 1 3 323.484 4.177 20 0 DIADHO COc1ccc([C@@H](C)N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1C ZINC000902406870 1045992888 /nfs/dbraw/zinc/99/28/88/1045992888.db2.gz VTPLYGSFDMEIKO-AHRSYUTCSA-N 1 3 324.468 4.148 20 0 DIADHO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cc(Cl)ccc1OC ZINC000453335749 1046042757 /nfs/dbraw/zinc/04/27/57/1046042757.db2.gz DRELOQAUQDAVCY-BTFYYFJDSA-N 1 3 322.880 4.015 20 0 DIADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1ccc2ncccc2c1 ZINC001138111901 1046098440 /nfs/dbraw/zinc/09/84/40/1046098440.db2.gz WDRURBGFIDDQCG-VQTJNVASSA-N 1 3 323.484 4.074 20 0 DIADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1ccc2ncccc2c1 ZINC001138111901 1046098453 /nfs/dbraw/zinc/09/84/53/1046098453.db2.gz WDRURBGFIDDQCG-VQTJNVASSA-N 1 3 323.484 4.074 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC001138111901 1046098466 /nfs/dbraw/zinc/09/84/66/1046098466.db2.gz WDRURBGFIDDQCG-VQTJNVASSA-N 1 3 323.484 4.074 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc2ncccc2c1 ZINC001138111901 1046098474 /nfs/dbraw/zinc/09/84/74/1046098474.db2.gz WDRURBGFIDDQCG-VQTJNVASSA-N 1 3 323.484 4.074 20 0 DIADHO C[C@H](Cc1ccccc1Cl)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903083024 1046158518 /nfs/dbraw/zinc/15/85/18/1046158518.db2.gz YYSNIZBTMXEWEL-PNFOFYCQSA-N 1 3 318.892 4.018 20 0 DIADHO C[C@H](Cc1ccccc1Cl)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903083024 1046158525 /nfs/dbraw/zinc/15/85/25/1046158525.db2.gz YYSNIZBTMXEWEL-PNFOFYCQSA-N 1 3 318.892 4.018 20 0 DIADHO Cc1nc([C@@H](C)NC2CCC(C)([NH+]3CCCC3)CC2)c(C)s1 ZINC000903252758 1046209513 /nfs/dbraw/zinc/20/95/13/1046209513.db2.gz FUDBRYKFYVBTHY-IMUUDWKMSA-N 1 3 321.534 4.208 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2ccc(CCC)s2)CC1 ZINC001138528852 1046215082 /nfs/dbraw/zinc/21/50/82/1046215082.db2.gz KGUYKOUHVBECLR-UHFFFAOYSA-N 1 3 308.535 4.397 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2ccc(CCC)s2)CC1 ZINC001138528852 1046215099 /nfs/dbraw/zinc/21/50/99/1046215099.db2.gz KGUYKOUHVBECLR-UHFFFAOYSA-N 1 3 308.535 4.397 20 0 DIADHO Cc1cc(CN2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c(C)s1 ZINC001138571434 1046230120 /nfs/dbraw/zinc/23/01/20/1046230120.db2.gz XSVYLCUMGCSPFJ-ROUUACIJSA-N 1 3 306.519 4.204 20 0 DIADHO Cc1cc(CN2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c(C)s1 ZINC001138571434 1046230128 /nfs/dbraw/zinc/23/01/28/1046230128.db2.gz XSVYLCUMGCSPFJ-ROUUACIJSA-N 1 3 306.519 4.204 20 0 DIADHO Cc1cc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)c(C)s1 ZINC001138571434 1046230130 /nfs/dbraw/zinc/23/01/30/1046230130.db2.gz XSVYLCUMGCSPFJ-ROUUACIJSA-N 1 3 306.519 4.204 20 0 DIADHO Cc1cc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)c(C)s1 ZINC001138571434 1046230137 /nfs/dbraw/zinc/23/01/37/1046230137.db2.gz XSVYLCUMGCSPFJ-ROUUACIJSA-N 1 3 306.519 4.204 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2ccc3occc3c2)CC1 ZINC001138825994 1046303656 /nfs/dbraw/zinc/30/36/56/1046303656.db2.gz LKBQZNBQAGIMRS-UHFFFAOYSA-N 1 3 300.446 4.129 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2ccc3occc3c2)CC1 ZINC001138825994 1046303668 /nfs/dbraw/zinc/30/36/68/1046303668.db2.gz LKBQZNBQAGIMRS-UHFFFAOYSA-N 1 3 300.446 4.129 20 0 DIADHO CC1CCC([NH2+]CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC001168204409 1046418700 /nfs/dbraw/zinc/41/87/00/1046418700.db2.gz PWFDSXJEZVGFHZ-UHFFFAOYSA-N 1 3 318.480 4.206 20 0 DIADHO CCSc1ccccc1CN(C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206606089 1046491345 /nfs/dbraw/zinc/49/13/45/1046491345.db2.gz CUGUFZXVRCWCRW-KRWDZBQOSA-N 1 3 306.519 4.151 20 0 DIADHO C[C@H](CSC(C)(C)C)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248412000 1046610462 /nfs/dbraw/zinc/61/04/62/1046610462.db2.gz ZUZYJKPMQYYOEH-PMPSAXMXSA-N 1 3 312.567 4.149 20 0 DIADHO C[C@@H]1C[C@@H]1[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000248825288 1046636623 /nfs/dbraw/zinc/63/66/23/1046636623.db2.gz FYMVSILIKKXRRI-LXJFHXKKSA-N 1 3 318.892 4.252 20 0 DIADHO C[C@@H]1C[C@@H]1[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000248825288 1046636627 /nfs/dbraw/zinc/63/66/27/1046636627.db2.gz FYMVSILIKKXRRI-LXJFHXKKSA-N 1 3 318.892 4.252 20 0 DIADHO C[C@@H]1C[C@H]1[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000248825301 1046636780 /nfs/dbraw/zinc/63/67/80/1046636780.db2.gz FYMVSILIKKXRRI-SAPAJUPCSA-N 1 3 318.892 4.252 20 0 DIADHO C[C@@H]1C[C@H]1[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000248825301 1046636784 /nfs/dbraw/zinc/63/67/84/1046636784.db2.gz FYMVSILIKKXRRI-SAPAJUPCSA-N 1 3 318.892 4.252 20 0 DIADHO C[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000643521648 1046669703 /nfs/dbraw/zinc/66/97/03/1046669703.db2.gz RSQSWIDGWSPRQX-XJKSGUPXSA-N 1 3 318.461 4.347 20 0 DIADHO COc1cc(C)ccc1[C@H](C)N[C@H](CCC[NH3+])c1ccccc1 ZINC000643543750 1046671369 /nfs/dbraw/zinc/67/13/69/1046671369.db2.gz KINRAWTWAHIOBH-QFBILLFUSA-N 1 3 312.457 4.134 20 0 DIADHO C[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc(-c2ccccc2)s1 ZINC000643522864 1046671475 /nfs/dbraw/zinc/67/14/75/1046671475.db2.gz TVFSTYROCXOJDC-ZBFHGGJFSA-N 1 3 300.471 4.208 20 0 DIADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000533394595 1046715860 /nfs/dbraw/zinc/71/58/60/1046715860.db2.gz HILBCVFKVOLXNZ-WBMJQRKESA-N 1 3 315.288 4.156 20 0 DIADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000533394595 1046715873 /nfs/dbraw/zinc/71/58/73/1046715873.db2.gz HILBCVFKVOLXNZ-WBMJQRKESA-N 1 3 315.288 4.156 20 0 DIADHO Cc1cc(C)c([C@@H](C)N2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000533425953 1046720073 /nfs/dbraw/zinc/72/00/73/1046720073.db2.gz ULILGJMEJOZVMI-RTBURBONSA-N 1 3 300.490 4.091 20 0 DIADHO Cc1cc(C)c([C@@H](C)[N@@H+]2CC[C@H](CN3CCCC3)C2)c(C)c1 ZINC000533425953 1046720083 /nfs/dbraw/zinc/72/00/83/1046720083.db2.gz ULILGJMEJOZVMI-RTBURBONSA-N 1 3 300.490 4.091 20 0 DIADHO Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@H](CN3CCCC3)C2)c(C)c1 ZINC000533425953 1046720097 /nfs/dbraw/zinc/72/00/97/1046720097.db2.gz ULILGJMEJOZVMI-RTBURBONSA-N 1 3 300.490 4.091 20 0 DIADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1C(C)(C)C ZINC000533637934 1046770803 /nfs/dbraw/zinc/77/08/03/1046770803.db2.gz BMMJNOYUBGXCSO-JKSUJKDBSA-N 1 3 300.490 4.119 20 0 DIADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1C(C)(C)C ZINC000533637934 1046770815 /nfs/dbraw/zinc/77/08/15/1046770815.db2.gz BMMJNOYUBGXCSO-JKSUJKDBSA-N 1 3 300.490 4.119 20 0 DIADHO COc1ccc([C@H](CC(C)C)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000647292014 1046970501 /nfs/dbraw/zinc/97/05/01/1046970501.db2.gz JKYKSQNGRHPNTR-FQEVSTJZSA-N 1 3 318.505 4.245 20 0 DIADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000321664375 1047011050 /nfs/dbraw/zinc/01/10/50/1047011050.db2.gz ZFRNUHDEJXTZPT-MSOLQXFVSA-N 1 3 308.469 4.346 20 0 DIADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000321664375 1047011067 /nfs/dbraw/zinc/01/10/67/1047011067.db2.gz ZFRNUHDEJXTZPT-MSOLQXFVSA-N 1 3 308.469 4.346 20 0 DIADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000321664378 1047011320 /nfs/dbraw/zinc/01/13/20/1047011320.db2.gz ZFRNUHDEJXTZPT-QZTJIDSGSA-N 1 3 308.469 4.346 20 0 DIADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000321664378 1047011333 /nfs/dbraw/zinc/01/13/33/1047011333.db2.gz ZFRNUHDEJXTZPT-QZTJIDSGSA-N 1 3 308.469 4.346 20 0 DIADHO [NH3+]Cc1ccc(CN[C@H]2CCc3c2ccc(Cl)c3Cl)cc1 ZINC000647803268 1047015215 /nfs/dbraw/zinc/01/52/15/1047015215.db2.gz QGZHGRGUBODKFL-INIZCTEOSA-N 1 3 321.251 4.229 20 0 DIADHO CCN(Cc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536711287 1047085400 /nfs/dbraw/zinc/08/54/00/1047085400.db2.gz YBIVWYGTRBRQCS-OAQYLSRUSA-N 1 3 308.469 4.031 20 0 DIADHO CCN(Cc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536711287 1047085416 /nfs/dbraw/zinc/08/54/16/1047085416.db2.gz YBIVWYGTRBRQCS-OAQYLSRUSA-N 1 3 308.469 4.031 20 0 DIADHO Cc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379651977 1047089692 /nfs/dbraw/zinc/08/96/92/1047089692.db2.gz VOJPAGVKISWNKI-RXVVDRJESA-N 1 3 308.469 4.138 20 0 DIADHO Cc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379651977 1047089705 /nfs/dbraw/zinc/08/97/05/1047089705.db2.gz VOJPAGVKISWNKI-RXVVDRJESA-N 1 3 308.469 4.138 20 0 DIADHO Cc1ccccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379641896 1047093091 /nfs/dbraw/zinc/09/30/91/1047093091.db2.gz DMKVQPBWGBCQIY-GHTZIAJQSA-N 1 3 308.469 4.138 20 0 DIADHO Cc1ccccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379641896 1047093104 /nfs/dbraw/zinc/09/31/04/1047093104.db2.gz DMKVQPBWGBCQIY-GHTZIAJQSA-N 1 3 308.469 4.138 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)NCc1csc(C(C)(C)C)n1 ZINC000098161583 1047157088 /nfs/dbraw/zinc/15/70/88/1047157088.db2.gz JMUUURBTGUCLGN-AWEZNQCLSA-N 1 3 311.539 4.041 20 0 DIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC001118060317 1047255675 /nfs/dbraw/zinc/25/56/75/1047255675.db2.gz YMNTURUNOHAMNX-WDEREUQCSA-N 1 3 321.827 4.053 20 0 DIADHO C[NH2+]Cc1ccccc1CNCc1ccc(C(F)(F)F)cc1C ZINC000650720632 1047277041 /nfs/dbraw/zinc/27/70/41/1047277041.db2.gz WMQAPKIRHXNTDF-UHFFFAOYSA-N 1 3 322.374 4.023 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000650759605 1047280830 /nfs/dbraw/zinc/28/08/30/1047280830.db2.gz MQWZSNORDITYSQ-ZDUSSCGKSA-N 1 3 322.374 4.276 20 0 DIADHO CC1(C)C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCS1 ZINC000897793968 1047289908 /nfs/dbraw/zinc/28/99/08/1047289908.db2.gz DWLIEKVEMQJKAQ-MRXNPFEDSA-N 1 3 310.551 4.047 20 0 DIADHO C[C@H](NCC1CC[NH+](C)CC1)c1cc(F)c(Cl)cc1Cl ZINC000044516671 1047344626 /nfs/dbraw/zinc/34/46/26/1047344626.db2.gz MXIZNEGNMUELIX-JTQLQIEISA-N 1 3 319.251 4.125 20 0 DIADHO CC(C)C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccncc1 ZINC000842849693 1047508142 /nfs/dbraw/zinc/50/81/42/1047508142.db2.gz CRVJGFDSUDWNBL-GOSISDBHSA-N 1 3 303.494 4.021 20 0 DIADHO Cc1csc2sc(CN3CCCC[C@@H](C[NH3+])C3)c(C)c12 ZINC001206631843 1047568290 /nfs/dbraw/zinc/56/82/90/1047568290.db2.gz AWUGBGXFIGMMMY-ZDUSSCGKSA-N 1 3 308.516 4.140 20 0 DIADHO CC(C)C[C@@H](C[NH2+][C@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000666993983 1047610407 /nfs/dbraw/zinc/61/04/07/1047610407.db2.gz ZNQOWIATSGTPDC-OALUTQOASA-N 1 3 300.490 4.081 20 0 DIADHO CC(C)(C)N1CCC([NH2+]CC2(Cc3ccc(F)cc3)CC2)CC1 ZINC000537766405 1047637728 /nfs/dbraw/zinc/63/77/28/1047637728.db2.gz CAGBYCPYFIFZII-UHFFFAOYSA-N 1 3 318.480 4.001 20 0 DIADHO Cc1ccc([C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C2CC2)cc1 ZINC000538099165 1047657497 /nfs/dbraw/zinc/65/74/97/1047657497.db2.gz RUJVHEQRXXGMBJ-FXAWDEMLSA-N 1 3 300.490 4.156 20 0 DIADHO Cc1ccc([C@@H](NC[C@@H]2CCC[N@@H+](C(C)C)C2)C2CC2)cc1 ZINC000538099165 1047657504 /nfs/dbraw/zinc/65/75/04/1047657504.db2.gz RUJVHEQRXXGMBJ-FXAWDEMLSA-N 1 3 300.490 4.156 20 0 DIADHO Cc1ccc([C@@H](NC[C@@H]2CCC[N@H+](C(C)C)C2)C2CC2)cc1 ZINC000538099165 1047657508 /nfs/dbraw/zinc/65/75/08/1047657508.db2.gz RUJVHEQRXXGMBJ-FXAWDEMLSA-N 1 3 300.490 4.156 20 0 DIADHO CC(C)(C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)CN1CCCC1 ZINC000477950392 1047760201 /nfs/dbraw/zinc/76/02/01/1047760201.db2.gz ZGIXFEOVSLGLPP-RTBURBONSA-N 1 3 300.490 4.034 20 0 DIADHO Cc1ccc(CNC2CC[NH+](CC3CC3)CC2)c2ccccc12 ZINC001168360545 1047765304 /nfs/dbraw/zinc/76/53/04/1047765304.db2.gz SCGZICULLLRGRL-UHFFFAOYSA-N 1 3 308.469 4.112 20 0 DIADHO Clc1ccc2c(c1)[C@H]([NH2+]C1CCN(C3CCCC3)CC1)CC2 ZINC000479527371 1047915419 /nfs/dbraw/zinc/91/54/19/1047915419.db2.gz LICHPRMBPZBGTE-LJQANCHMSA-N 1 3 318.892 4.324 20 0 DIADHO C[NH+](C)CC[C@H](N[C@@H]1CCCCC12CCCC2)c1cccnc1 ZINC001183919396 1047982457 /nfs/dbraw/zinc/98/24/57/1047982457.db2.gz IYVDORCQMZIVRL-RBUKOAKNSA-N 1 3 315.505 4.167 20 0 DIADHO Clc1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000479860811 1047984843 /nfs/dbraw/zinc/98/48/43/1047984843.db2.gz GRPBXPBCVFUXSM-UHFFFAOYSA-N 1 3 320.908 4.269 20 0 DIADHO Clc1ccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000479860811 1047984858 /nfs/dbraw/zinc/98/48/58/1047984858.db2.gz GRPBXPBCVFUXSM-UHFFFAOYSA-N 1 3 320.908 4.269 20 0 DIADHO CCC[C@@H](C[NH2+]CCCN1CCC(C)CC1)c1ccccc1 ZINC001199014656 1048023734 /nfs/dbraw/zinc/02/37/34/1048023734.db2.gz UHAZHEQMJPFZPU-FQEVSTJZSA-N 1 3 302.506 4.282 20 0 DIADHO CCCCCOc1ccc([C@H](C)NC2CC[NH+](CC)CC2)cc1 ZINC000480031888 1048033308 /nfs/dbraw/zinc/03/33/08/1048033308.db2.gz ZXHQXMWETVBMAN-KRWDZBQOSA-N 1 3 318.505 4.391 20 0 DIADHO CC[NH+]1CCC(N[C@H](CCC(C)C)c2ccc(OC)cc2)CC1 ZINC000480050559 1048040016 /nfs/dbraw/zinc/04/00/16/1048040016.db2.gz WMUBWFBWIKTWCN-HXUWFJFHSA-N 1 3 318.505 4.246 20 0 DIADHO C[C@H](C[NH2+]C1CCC(C2CCCCC2)CC1)CN1CCCC1 ZINC001199403297 1048065863 /nfs/dbraw/zinc/06/58/63/1048065863.db2.gz QKCMASZEQBNQSB-QHGAOEGBSA-N 1 3 306.538 4.447 20 0 DIADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000480145680 1048068829 /nfs/dbraw/zinc/06/88/29/1048068829.db2.gz HNZHCWWYODJRAR-HUUCEWRRSA-N 1 3 308.432 4.065 20 0 DIADHO C[C@H](CCCC(F)(F)F)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000480243578 1048097442 /nfs/dbraw/zinc/09/74/42/1048097442.db2.gz FJMNPDTUFXAPHO-QLFBSQMISA-N 1 3 308.432 4.065 20 0 DIADHO CN1CC[C@@H]([NH2+]Cc2ccccc2Oc2ccccc2)CC1(C)C ZINC001199873901 1048114262 /nfs/dbraw/zinc/11/42/62/1048114262.db2.gz ABFAPPYGPIZWKD-GOSISDBHSA-N 1 3 324.468 4.441 20 0 DIADHO CN1CC[C@H]([NH2+]Cc2ccccc2Oc2ccccc2)CC1(C)C ZINC001199873905 1048115006 /nfs/dbraw/zinc/11/50/06/1048115006.db2.gz ABFAPPYGPIZWKD-SFHVURJKSA-N 1 3 324.468 4.441 20 0 DIADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000554736962 1048167269 /nfs/dbraw/zinc/16/72/69/1048167269.db2.gz CZUBLVRVLDEGDS-KHYOSLBOSA-N 1 3 311.473 4.008 20 0 DIADHO CN(Cc1ccco1)[C@H]1CCC12CC[NH+](CC(C)(C)C)CC2 ZINC001201434132 1048272260 /nfs/dbraw/zinc/27/22/60/1048272260.db2.gz CKUGUSREKDBWNM-KRWDZBQOSA-N 1 3 304.478 4.002 20 0 DIADHO CN(Cc1ccco1)[C@@H]1CCC12CC[NH+](CC(C)(C)C)CC2 ZINC001201434133 1048273137 /nfs/dbraw/zinc/27/31/37/1048273137.db2.gz CKUGUSREKDBWNM-QGZVFWFLSA-N 1 3 304.478 4.002 20 0 DIADHO C[N@H+](Cc1ccc(Cl)cc1)C1CCN(CC(C)(C)C)CC1 ZINC001201441748 1048274503 /nfs/dbraw/zinc/27/45/03/1048274503.db2.gz MAJWDZVSWDLECT-UHFFFAOYSA-N 1 3 308.897 4.282 20 0 DIADHO C[N@@H+](Cc1ccc(Cl)cc1)C1CCN(CC(C)(C)C)CC1 ZINC001201441748 1048274506 /nfs/dbraw/zinc/27/45/06/1048274506.db2.gz MAJWDZVSWDLECT-UHFFFAOYSA-N 1 3 308.897 4.282 20 0 DIADHO CC(C)CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CC1 ZINC000555235890 1048305642 /nfs/dbraw/zinc/30/56/42/1048305642.db2.gz OGTUJHCXNOSMCB-HQRMLTQVSA-N 1 3 306.538 4.444 20 0 DIADHO CCC[C@@H](C)C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001201553023 1048305614 /nfs/dbraw/zinc/30/56/14/1048305614.db2.gz YLVMLRRHVCDOPE-GOSISDBHSA-N 1 3 300.490 4.021 20 0 DIADHO C(C1CCCC1)N1CCC([NH2+]C2CCC3(CCC3)CC2)CC1 ZINC001201858035 1048380746 /nfs/dbraw/zinc/38/07/46/1048380746.db2.gz YEMLAMCKVWMVLN-UHFFFAOYSA-N 1 3 304.522 4.344 20 0 DIADHO CC(C)(C)CC[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001202095696 1048449525 /nfs/dbraw/zinc/44/95/25/1048449525.db2.gz FWGQQIJIVFMQNQ-UHFFFAOYSA-N 1 3 300.490 4.021 20 0 DIADHO Cc1cccc(-c2cccc(CN[C@@H]3CC[N@@H+](C)C[C@H]3C)c2)c1 ZINC000481935505 1048532841 /nfs/dbraw/zinc/53/28/41/1048532841.db2.gz YTRZFXARXLLPFB-DYESRHJHSA-N 1 3 308.469 4.092 20 0 DIADHO Cc1cccc(-c2cccc(CN[C@@H]3CC[N@H+](C)C[C@H]3C)c2)c1 ZINC000481935505 1048532852 /nfs/dbraw/zinc/53/28/52/1048532852.db2.gz YTRZFXARXLLPFB-DYESRHJHSA-N 1 3 308.469 4.092 20 0 DIADHO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc(C)c1F ZINC000482326098 1048587067 /nfs/dbraw/zinc/58/70/67/1048587067.db2.gz YEFKGTXTZIAJSR-IRXDYDNUSA-N 1 3 306.469 4.214 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)C(C)(C)c2ccccc2)C1 ZINC000482343530 1048589554 /nfs/dbraw/zinc/58/95/54/1048589554.db2.gz HRLJKQGLTQXKLS-QZTJIDSGSA-N 1 3 302.506 4.063 20 0 DIADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000482352180 1048591390 /nfs/dbraw/zinc/59/13/90/1048591390.db2.gz AIVMOGZNBUIYGH-ICSRJNTNSA-N 1 3 320.496 4.103 20 0 DIADHO CN1CCc2ccc(Nc3cccc(C[NH+]4CCCC4)c3)cc2C1 ZINC001176196880 1048594653 /nfs/dbraw/zinc/59/46/53/1048594653.db2.gz IQWXMVGAPNWDDV-UHFFFAOYSA-N 1 3 321.468 4.014 20 0 DIADHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cccs1 ZINC000162913803 1048600974 /nfs/dbraw/zinc/60/09/74/1048600974.db2.gz OAASLZFVZAGINM-OAHLLOKOSA-N 1 3 300.471 4.195 20 0 DIADHO C[C@H](C[NH2+]C1CCN(CC2CCCC2)CC1)c1ccccc1 ZINC000194298855 1048607081 /nfs/dbraw/zinc/60/70/81/1048607081.db2.gz OZNGROGKAFETEK-QGZVFWFLSA-N 1 3 300.490 4.034 20 0 DIADHO C[C@H]([NH2+]C1CCN(CC2CCCCC2)CC1)C(C)(C)C(F)F ZINC000850429982 1048654160 /nfs/dbraw/zinc/65/41/60/1048654160.db2.gz HXJRJAWBQXYDCM-AWEZNQCLSA-N 1 3 316.480 4.301 20 0 DIADHO Cc1ccc2ccccc2c1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000483234190 1048760251 /nfs/dbraw/zinc/76/02/51/1048760251.db2.gz JMFLQEGAJQPEDC-SFHVURJKSA-N 1 3 308.469 4.066 20 0 DIADHO c1ccc(CN2C[C@@H]3C[C@H]2C[C@@H]([NH2+]CC[C@H]2CC=CCC2)C3)cc1 ZINC000716654379 1048786382 /nfs/dbraw/zinc/78/63/82/1048786382.db2.gz GAEZJDCFMPDMHM-QESAQDPVSA-N 1 3 324.512 4.376 20 0 DIADHO COc1ccc([C@@H](C)[NH2+]C2CC(C)C2)cc1CN1CCCCC1 ZINC000775411356 1048787265 /nfs/dbraw/zinc/78/72/65/1048787265.db2.gz DRFPLCHGEOEJHA-KOHRHEQBSA-N 1 3 316.489 4.130 20 0 DIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H](C)C2CCC2)ccc1OC ZINC000775415758 1048793048 /nfs/dbraw/zinc/79/30/48/1048793048.db2.gz NTOAXUVRXWESLE-HOTGVXAUSA-N 1 3 318.505 4.376 20 0 DIADHO Cc1ccc2cc(CNCCC[N@@H+](C)Cc3ccccc3)[nH]c2c1 ZINC001177136613 1048837289 /nfs/dbraw/zinc/83/72/89/1048837289.db2.gz SUNRVMNGLYBIBE-UHFFFAOYSA-N 1 3 321.468 4.088 20 0 DIADHO Cc1ccc2cc(CNCCC[N@H+](C)Cc3ccccc3)[nH]c2c1 ZINC001177136613 1048837302 /nfs/dbraw/zinc/83/73/02/1048837302.db2.gz SUNRVMNGLYBIBE-UHFFFAOYSA-N 1 3 321.468 4.088 20 0 DIADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(-c2ccccc2)c1 ZINC000483721997 1048847512 /nfs/dbraw/zinc/84/75/12/1048847512.db2.gz CRAYOZYNXIGAMA-LLGFUMIMSA-N 1 3 308.469 4.487 20 0 DIADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(-c2ccccc2)c1 ZINC000483721997 1048847525 /nfs/dbraw/zinc/84/75/25/1048847525.db2.gz CRAYOZYNXIGAMA-LLGFUMIMSA-N 1 3 308.469 4.487 20 0 DIADHO CSc1ccccc1[C@@H](C)NCc1cccc(C[NH+](C)C)c1 ZINC000194840536 1048932652 /nfs/dbraw/zinc/93/26/52/1048932652.db2.gz HKGXCJRHJSLZFV-OAHLLOKOSA-N 1 3 314.498 4.321 20 0 DIADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000484467469 1048939753 /nfs/dbraw/zinc/93/97/53/1048939753.db2.gz OWALVMZLZIUIQQ-RCBQFDQVSA-N 1 3 314.395 4.229 20 0 DIADHO CCC[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(C)cc1 ZINC001168369048 1048959066 /nfs/dbraw/zinc/95/90/66/1048959066.db2.gz UOZQZVOYKVYAMF-HXUWFJFHSA-N 1 3 300.490 4.300 20 0 DIADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000484497390 1048963522 /nfs/dbraw/zinc/96/35/22/1048963522.db2.gz ZWBCTXMSDXDZAH-VBNZEHGJSA-N 1 3 314.395 4.229 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2ccccc12 ZINC001204048651 1049073121 /nfs/dbraw/zinc/07/31/21/1049073121.db2.gz OFILRBVZZPPMPG-ROUUACIJSA-N 1 3 311.473 4.007 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1c[nH]c2ccccc12 ZINC001204048651 1049073130 /nfs/dbraw/zinc/07/31/30/1049073130.db2.gz OFILRBVZZPPMPG-ROUUACIJSA-N 1 3 311.473 4.007 20 0 DIADHO CC(C)c1cccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC001192324789 1049080229 /nfs/dbraw/zinc/08/02/29/1049080229.db2.gz LURIUJXBCNIBIK-CTNGQTDRSA-N 1 3 312.501 4.259 20 0 DIADHO CC(C)c1cccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC001192324789 1049080240 /nfs/dbraw/zinc/08/02/40/1049080240.db2.gz LURIUJXBCNIBIK-CTNGQTDRSA-N 1 3 312.501 4.259 20 0 DIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H](C)C2(C)CC2)ccc1OC ZINC000776882293 1049088745 /nfs/dbraw/zinc/08/87/45/1049088745.db2.gz QREKEYZSIMKLLF-HZPDHXFCSA-N 1 3 318.505 4.376 20 0 DIADHO CC(C)[NH+]1CCC(CCNCc2cc(Cl)ccc2F)CC1 ZINC001179277821 1049152648 /nfs/dbraw/zinc/15/26/48/1049152648.db2.gz NGRICAQGAZRTGK-UHFFFAOYSA-N 1 3 312.860 4.079 20 0 DIADHO c1cc(CCC[NH2+]C2CCN(C3CCCCC3)CC2)cs1 ZINC001179818316 1049211220 /nfs/dbraw/zinc/21/12/20/1049211220.db2.gz WYIBKDKSSWQTHW-UHFFFAOYSA-N 1 3 306.519 4.067 20 0 DIADHO C[N@H+](C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1)C1CC1 ZINC001179909791 1049238862 /nfs/dbraw/zinc/23/88/62/1049238862.db2.gz VNYOYHXSZAFKMF-FQEVSTJZSA-N 1 3 300.490 4.019 20 0 DIADHO C[N@@H+](C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1)C1CC1 ZINC001179909791 1049238869 /nfs/dbraw/zinc/23/88/69/1049238869.db2.gz VNYOYHXSZAFKMF-FQEVSTJZSA-N 1 3 300.490 4.019 20 0 DIADHO C[N@H+](C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1)C1CC1 ZINC001179909792 1049239045 /nfs/dbraw/zinc/23/90/45/1049239045.db2.gz VNYOYHXSZAFKMF-HXUWFJFHSA-N 1 3 300.490 4.019 20 0 DIADHO C[N@@H+](C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1)C1CC1 ZINC001179909792 1049239061 /nfs/dbraw/zinc/23/90/61/1049239061.db2.gz VNYOYHXSZAFKMF-HXUWFJFHSA-N 1 3 300.490 4.019 20 0 DIADHO C[C@H]1CCC[C@@H](CCN2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC001194524652 1049385904 /nfs/dbraw/zinc/38/59/04/1049385904.db2.gz BULORIJFVDEYRQ-OALUTQOASA-N 1 3 314.517 4.457 20 0 DIADHO CC[NH+](CC)CCCC1CCN(Cc2ccc(C)cc2F)CC1 ZINC001180818878 1049410015 /nfs/dbraw/zinc/41/00/15/1049410015.db2.gz CRDHBEDBQWLXAE-UHFFFAOYSA-N 1 3 320.496 4.468 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC001205385832 1049455659 /nfs/dbraw/zinc/45/56/59/1049455659.db2.gz RRTLIPQRFTWZPZ-GDAAHCPNSA-N 1 3 304.522 4.198 20 0 DIADHO CCC[C@H](Cc1ccccc1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC001205391594 1049458976 /nfs/dbraw/zinc/45/89/76/1049458976.db2.gz PRGQOULTAUBTFM-AZUAARDMSA-N 1 3 302.506 4.252 20 0 DIADHO C[C@H]1CCC[N@H+](CCCCNCc2sccc2Cl)C1 ZINC000486951718 1049496449 /nfs/dbraw/zinc/49/64/49/1049496449.db2.gz UIPQLPQGTNCIGK-ZDUSSCGKSA-N 1 3 300.899 4.003 20 0 DIADHO C[C@H]1CCC[N@@H+](CCCCNCc2sccc2Cl)C1 ZINC000486951718 1049496458 /nfs/dbraw/zinc/49/64/58/1049496458.db2.gz UIPQLPQGTNCIGK-ZDUSSCGKSA-N 1 3 300.899 4.003 20 0 DIADHO Cc1c(Cl)cccc1CN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC001181485937 1049486047 /nfs/dbraw/zinc/48/60/47/1049486047.db2.gz LDRRMWMBDUQVOD-UHFFFAOYSA-N 1 3 316.876 4.342 20 0 DIADHO C[C@@H](CNC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC001205555063 1049497400 /nfs/dbraw/zinc/49/74/00/1049497400.db2.gz OGFAXVNYDYQMOY-JXFKEZNVSA-N 1 3 318.480 4.316 20 0 DIADHO C[C@@H](CNC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC001205555063 1049497404 /nfs/dbraw/zinc/49/74/04/1049497404.db2.gz OGFAXVNYDYQMOY-JXFKEZNVSA-N 1 3 318.480 4.316 20 0 DIADHO CC(C)CCN1CCC([NH2+]CC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC001181807341 1049521730 /nfs/dbraw/zinc/52/17/30/1049521730.db2.gz DGSJKSVXGCSDGY-HNNXBMFYSA-N 1 3 321.336 4.061 20 0 DIADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc2oc3ccccc3c2c1 ZINC001205703139 1049537902 /nfs/dbraw/zinc/53/79/02/1049537902.db2.gz WTCWQDQUDHBVHY-BEFAXECRSA-N 1 3 322.452 4.358 20 0 DIADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc2oc3ccccc3c2c1 ZINC001205703139 1049537916 /nfs/dbraw/zinc/53/79/16/1049537916.db2.gz WTCWQDQUDHBVHY-BEFAXECRSA-N 1 3 322.452 4.358 20 0 DIADHO CCN(CC)CCC[N@@H+]1CCC[C@]1(CC)Cc1ccccc1 ZINC001195987419 1049596358 /nfs/dbraw/zinc/59/63/58/1049596358.db2.gz ZKHHGFVZUVRIHN-HXUWFJFHSA-N 1 3 302.506 4.206 20 0 DIADHO CCN(CC)CCC[N@H+]1CCC[C@]1(CC)Cc1ccccc1 ZINC001195987419 1049596371 /nfs/dbraw/zinc/59/63/71/1049596371.db2.gz ZKHHGFVZUVRIHN-HXUWFJFHSA-N 1 3 302.506 4.206 20 0 DIADHO CCCCCCOc1ccc(CN2CCC[C@@H](C[NH3+])[C@@H]2C)cc1 ZINC001205904508 1049598090 /nfs/dbraw/zinc/59/80/90/1049598090.db2.gz VQMRIFVGQLSADU-HKUYNNGSSA-N 1 3 318.505 4.205 20 0 DIADHO N[C@@H]1CCCC[N@H+](Cc2ccccc2-c2ccc(Cl)cc2)C1 ZINC001205932033 1049607153 /nfs/dbraw/zinc/60/71/53/1049607153.db2.gz NSQXILGTXPLQMK-GOSISDBHSA-N 1 3 314.860 4.320 20 0 DIADHO N[C@@H]1CCCC[N@@H+](Cc2ccccc2-c2ccc(Cl)cc2)C1 ZINC001205932033 1049607159 /nfs/dbraw/zinc/60/71/59/1049607159.db2.gz NSQXILGTXPLQMK-GOSISDBHSA-N 1 3 314.860 4.320 20 0 DIADHO C[C@]1(CN)CCCC[N@H+](Cc2ccccc2-c2cccs2)C1 ZINC001206556447 1049755031 /nfs/dbraw/zinc/75/50/31/1049755031.db2.gz RYKHALKMCDWVEL-LJQANCHMSA-N 1 3 314.498 4.366 20 0 DIADHO C[C@]1(CN)CCCC[N@@H+](Cc2ccccc2-c2cccs2)C1 ZINC001206556447 1049755039 /nfs/dbraw/zinc/75/50/39/1049755039.db2.gz RYKHALKMCDWVEL-LJQANCHMSA-N 1 3 314.498 4.366 20 0 DIADHO C[C@]1(C[NH3+])CCCCN(Cc2ccccc2-c2cccs2)C1 ZINC001206556447 1049755044 /nfs/dbraw/zinc/75/50/44/1049755044.db2.gz RYKHALKMCDWVEL-LJQANCHMSA-N 1 3 314.498 4.366 20 0 DIADHO CC(C)[N@H+](CCCCCc1ccccc1)[C@H]1CCCNCC1 ZINC001206583459 1049762434 /nfs/dbraw/zinc/76/24/34/1049762434.db2.gz UZMCYZCOVNHDOW-FQEVSTJZSA-N 1 3 302.506 4.252 20 0 DIADHO CC(C)[N@@H+](CCCCCc1ccccc1)[C@H]1CCCNCC1 ZINC001206583459 1049762443 /nfs/dbraw/zinc/76/24/43/1049762443.db2.gz UZMCYZCOVNHDOW-FQEVSTJZSA-N 1 3 302.506 4.252 20 0 DIADHO CC(C)[N@H+](CCCc1ccc(Cl)cc1)[C@@H]1CCCNCC1 ZINC001206583717 1049762482 /nfs/dbraw/zinc/76/24/82/1049762482.db2.gz VQYNTTUVZTVEJX-GOSISDBHSA-N 1 3 308.897 4.125 20 0 DIADHO CC(C)[N@@H+](CCCc1ccc(Cl)cc1)[C@@H]1CCCNCC1 ZINC001206583717 1049762492 /nfs/dbraw/zinc/76/24/92/1049762492.db2.gz VQYNTTUVZTVEJX-GOSISDBHSA-N 1 3 308.897 4.125 20 0 DIADHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1nccc2ccccc21 ZINC000570490254 1049763572 /nfs/dbraw/zinc/76/35/72/1049763572.db2.gz QKQCYGHVBUGANX-MRXNPFEDSA-N 1 3 311.473 4.007 20 0 DIADHO CC(C)N(Cc1cccc(OC(C)(C)C)c1)[C@H]1CCC[NH2+]CC1 ZINC001206597656 1049765718 /nfs/dbraw/zinc/76/57/18/1049765718.db2.gz DTPYFGMKSVMIII-SFHVURJKSA-N 1 3 318.505 4.216 20 0 DIADHO [NH3+]C[C@@H]1CCCCN(Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001206622572 1049772612 /nfs/dbraw/zinc/77/26/12/1049772612.db2.gz GBYAPQDQTTWYPZ-AWEZNQCLSA-N 1 3 318.848 4.161 20 0 DIADHO CN1CCCC[C@@H](C[NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC001206680860 1049778156 /nfs/dbraw/zinc/77/81/56/1049778156.db2.gz VOABZRXUQNXDPG-IBGZPJMESA-N 1 3 322.496 4.140 20 0 DIADHO CC(C)[C@H](CSc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000490145561 1049802716 /nfs/dbraw/zinc/80/27/16/1049802716.db2.gz VFVVWEQAKVMYSV-LMMKCTJWSA-N 1 3 318.530 4.020 20 0 DIADHO CC(C)[C@H](CSc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000490145561 1049802722 /nfs/dbraw/zinc/80/27/22/1049802722.db2.gz VFVVWEQAKVMYSV-LMMKCTJWSA-N 1 3 318.530 4.020 20 0 DIADHO C[C@H]1CC[C@H](C[NH3+])CN1Cc1cc(-c2ccsc2)cs1 ZINC001206807234 1049803677 /nfs/dbraw/zinc/80/36/77/1049803677.db2.gz HYIQBZUBWZMDSS-QWHCGFSZSA-N 1 3 306.500 4.036 20 0 DIADHO C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1cc(-c2ccsc2)cs1 ZINC001206807233 1049804794 /nfs/dbraw/zinc/80/47/94/1049804794.db2.gz HYIQBZUBWZMDSS-OLZOCXBDSA-N 1 3 306.500 4.036 20 0 DIADHO CC(C)CCN1CCC([NH2+]CCC2(c3ccccc3)CC2)CC1 ZINC001207594647 1049914645 /nfs/dbraw/zinc/91/46/45/1049914645.db2.gz CICZBEVPWKLWQC-UHFFFAOYSA-N 1 3 314.517 4.208 20 0 DIADHO CN1C[C@@H]2CC[C@H]([NH2+]CC3CCC4(CCCCC4)CC3)[C@@H]2C1 ZINC001207836661 1049942706 /nfs/dbraw/zinc/94/27/06/1049942706.db2.gz KOFPLPLTOQIAMC-OTWHNJEPSA-N 1 3 304.522 4.057 20 0 DIADHO CC(C)c1ccc(C[C@@H](C)C[NH+]2CCC(N(C)C)CC2)cc1 ZINC001207933405 1049957536 /nfs/dbraw/zinc/95/75/36/1049957536.db2.gz ZBVMYRCHXKQFPX-QGZVFWFLSA-N 1 3 302.506 4.015 20 0 DIADHO CC(C)c1ccc(C[C@@H](C)CN2CCC([NH+](C)C)CC2)cc1 ZINC001207933405 1049957547 /nfs/dbraw/zinc/95/75/47/1049957547.db2.gz ZBVMYRCHXKQFPX-QGZVFWFLSA-N 1 3 302.506 4.015 20 0 DIADHO CC/C=C\CCCN1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001208137423 1049976960 /nfs/dbraw/zinc/97/69/60/1049976960.db2.gz HMDFFGWDQZACCK-PLNGDYQASA-N 1 3 318.480 4.468 20 0 DIADHO CC/C=C\CCCN1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001208137423 1049976963 /nfs/dbraw/zinc/97/69/63/1049976963.db2.gz HMDFFGWDQZACCK-PLNGDYQASA-N 1 3 318.480 4.468 20 0 DIADHO CCN(Cc1ccccc1)C1CC[NH+](CC[C@@H](C)SC)CC1 ZINC001208140095 1049977110 /nfs/dbraw/zinc/97/71/10/1049977110.db2.gz CGKKJVSETVYNQZ-QGZVFWFLSA-N 1 3 320.546 4.115 20 0 DIADHO Cc1ccc([C@H](C)CCN2CCCC[C@H]2CC[NH+]2CCCC2)o1 ZINC001208155756 1049979159 /nfs/dbraw/zinc/97/91/59/1049979159.db2.gz OKMYHZPEKBZLMO-MJGOQNOKSA-N 1 3 318.505 4.422 20 0 DIADHO Cc1ccc([C@H](C)CC[N@@H+]2CCCC[C@H]2CCN2CCCC2)o1 ZINC001208155756 1049979162 /nfs/dbraw/zinc/97/91/62/1049979162.db2.gz OKMYHZPEKBZLMO-MJGOQNOKSA-N 1 3 318.505 4.422 20 0 DIADHO Cc1ccc([C@H](C)CC[N@H+]2CCCC[C@H]2CCN2CCCC2)o1 ZINC001208155756 1049979166 /nfs/dbraw/zinc/97/91/66/1049979166.db2.gz OKMYHZPEKBZLMO-MJGOQNOKSA-N 1 3 318.505 4.422 20 0 DIADHO CC/C=C\CCCCC[NH+]1CCC(N2CCC(OC)CC2)CC1 ZINC001208196283 1049983160 /nfs/dbraw/zinc/98/31/60/1049983160.db2.gz NGXROPZJINGMLV-PLNGDYQASA-N 1 3 322.537 4.088 20 0 DIADHO CN(C)CC1(C[N@@H+]2CCC[C@H]2c2ccccc2F)CCCC1 ZINC001208192704 1049983485 /nfs/dbraw/zinc/98/34/85/1049983485.db2.gz XHYBVVINVIVLFN-SFHVURJKSA-N 1 3 304.453 4.085 20 0 DIADHO CN(C)CC1(C[N@H+]2CCC[C@H]2c2ccccc2F)CCCC1 ZINC001208192704 1049983490 /nfs/dbraw/zinc/98/34/90/1049983490.db2.gz XHYBVVINVIVLFN-SFHVURJKSA-N 1 3 304.453 4.085 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCCc1ccc(F)cc1 ZINC001208770268 1050009295 /nfs/dbraw/zinc/00/92/95/1050009295.db2.gz MNRCZPKRHPNDRU-PMACEKPBSA-N 1 3 318.480 4.097 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCCc1ccc(F)cc1 ZINC001208770268 1050009301 /nfs/dbraw/zinc/00/93/01/1050009301.db2.gz MNRCZPKRHPNDRU-PMACEKPBSA-N 1 3 318.480 4.097 20 0 DIADHO CN(CCc1ccccc1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208930051 1050024826 /nfs/dbraw/zinc/02/48/26/1050024826.db2.gz YWEGXGUNPZZREJ-JOCHJYFZSA-N 1 3 322.496 4.073 20 0 DIADHO CN(CCc1ccccc1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208930051 1050024832 /nfs/dbraw/zinc/02/48/32/1050024832.db2.gz YWEGXGUNPZZREJ-JOCHJYFZSA-N 1 3 322.496 4.073 20 0 DIADHO Cc1cccc2c1C[N@H+](C[C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001208930681 1050026169 /nfs/dbraw/zinc/02/61/69/1050026169.db2.gz CKDQARRATBIUGF-HXUWFJFHSA-N 1 3 320.480 4.223 20 0 DIADHO Cc1cccc2c1C[N@@H+](C[C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001208930681 1050026173 /nfs/dbraw/zinc/02/61/73/1050026173.db2.gz CKDQARRATBIUGF-HXUWFJFHSA-N 1 3 320.480 4.223 20 0 DIADHO c1ccc(C[N@H+]2CCC[C@H](CN3CC4(C3)CCCCC4)C2)cc1 ZINC001208938252 1050027108 /nfs/dbraw/zinc/02/71/08/1050027108.db2.gz AIBCPYJXYUDQIH-FQEVSTJZSA-N 1 3 312.501 4.165 20 0 DIADHO c1ccc(C[N@@H+]2CCC[C@H](CN3CC4(C3)CCCCC4)C2)cc1 ZINC001208938252 1050027110 /nfs/dbraw/zinc/02/71/10/1050027110.db2.gz AIBCPYJXYUDQIH-FQEVSTJZSA-N 1 3 312.501 4.165 20 0 DIADHO c1ccc(SC2CC[NH+](CCCN3CCCCC3)CC2)cc1 ZINC001209452723 1050061518 /nfs/dbraw/zinc/06/15/18/1050061518.db2.gz SMFWJCRWTIMKPE-UHFFFAOYSA-N 1 3 318.530 4.119 20 0 DIADHO CN1CCCC[C@H]1CC[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000760803706 1050117132 /nfs/dbraw/zinc/11/71/32/1050117132.db2.gz IGANBJFVMSZGAT-SFHVURJKSA-N 1 3 323.484 4.131 20 0 DIADHO CN1CCCC[C@H]1CC[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000760803706 1050117134 /nfs/dbraw/zinc/11/71/34/1050117134.db2.gz IGANBJFVMSZGAT-SFHVURJKSA-N 1 3 323.484 4.131 20 0 DIADHO CC(C)CCC[C@H](C)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001170071076 1050580609 /nfs/dbraw/zinc/58/06/09/1050580609.db2.gz JIWOZWPACATOLE-SFHVURJKSA-N 1 3 317.521 4.098 20 0 DIADHO [NH3+]Cc1ccc(CN[C@@H](c2ccccc2F)C2CCCC2)cc1 ZINC000575124160 1050643211 /nfs/dbraw/zinc/64/32/11/1050643211.db2.gz QNHXRFGSJNYGGB-HXUWFJFHSA-N 1 3 312.432 4.306 20 0 DIADHO C[C@@H](c1ccccc1Cl)N(CC1CC[NH+](C)CC1)C1CC1 ZINC000788477707 1050688252 /nfs/dbraw/zinc/68/82/52/1050688252.db2.gz YOXYBFVBISWQEB-AWEZNQCLSA-N 1 3 306.881 4.207 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)N[C@H]1COCc2cccc(Cl)c21 ZINC000788496717 1050693160 /nfs/dbraw/zinc/69/31/60/1050693160.db2.gz AOKOBUYHGNUEBH-YOEHRIQHSA-N 1 3 324.896 4.011 20 0 DIADHO CC[NH+](CC)CCC[C@@H](C)N[C@H]1COCc2cccc(Cl)c21 ZINC000788496703 1050693119 /nfs/dbraw/zinc/69/31/19/1050693119.db2.gz AOKOBUYHGNUEBH-PBHICJAKSA-N 1 3 324.896 4.011 20 0 DIADHO Clc1sccc1CNC1CCC([NH+]2CCCCC2)CC1 ZINC000790974993 1051018439 /nfs/dbraw/zinc/01/84/39/1051018439.db2.gz YCCGEDXHZWNIIT-UHFFFAOYSA-N 1 3 312.910 4.288 20 0 DIADHO C[NH+]1C(C)(C)CC(N[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1(C)C ZINC001171628582 1051171858 /nfs/dbraw/zinc/17/18/58/1051171858.db2.gz BPBIRECOCFTMQJ-DLBZAZTESA-N 1 3 320.908 4.437 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1(C)C ZINC001171628582 1051171869 /nfs/dbraw/zinc/17/18/69/1051171869.db2.gz BPBIRECOCFTMQJ-DLBZAZTESA-N 1 3 320.908 4.437 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@H]2CC[C@H](C(F)(F)F)CC2)CC1(C)C ZINC001171628705 1051172327 /nfs/dbraw/zinc/17/23/27/1051172327.db2.gz GYRJUORIGWZRBC-JOCQHMNTSA-N 1 3 320.443 4.349 20 0 DIADHO CC(C)[C@@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)c1ccncc1 ZINC001171629479 1051173016 /nfs/dbraw/zinc/17/30/16/1051173016.db2.gz SOBFENRJFAXNJS-QGZVFWFLSA-N 1 3 303.494 4.020 20 0 DIADHO C[NH+]1C(C)(C)CC(NC2(Cc3ccccc3F)CC2)CC1(C)C ZINC001171630328 1051174263 /nfs/dbraw/zinc/17/42/63/1051174263.db2.gz MPIQKMQBACXPOK-UHFFFAOYSA-N 1 3 318.480 4.142 20 0 DIADHO CN1C(C)(C)CC([NH2+]C2(Cc3ccccc3F)CC2)CC1(C)C ZINC001171630328 1051174268 /nfs/dbraw/zinc/17/42/68/1051174268.db2.gz MPIQKMQBACXPOK-UHFFFAOYSA-N 1 3 318.480 4.142 20 0 DIADHO CN1C(C)(C)CC([N@@H+]2CCC(F)(F)C(C)(C)C2)CC1(C)C ZINC001171632196 1051174672 /nfs/dbraw/zinc/17/46/72/1051174672.db2.gz WLRQNXZKICNZMN-UHFFFAOYSA-N 1 3 302.453 4.005 20 0 DIADHO CN1C(C)(C)CC([N@H+]2CCC(F)(F)C(C)(C)C2)CC1(C)C ZINC001171632196 1051174684 /nfs/dbraw/zinc/17/46/84/1051174684.db2.gz WLRQNXZKICNZMN-UHFFFAOYSA-N 1 3 302.453 4.005 20 0 DIADHO CCCC[NH+]1CCC(N(C)[C@H](C)Cc2ccccc2Cl)CC1 ZINC001170292269 1051177168 /nfs/dbraw/zinc/17/71/68/1051177168.db2.gz INMLGDLVQWJJTN-MRXNPFEDSA-N 1 3 322.924 4.467 20 0 DIADHO Cc1ccc(C)c(CC[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)c1 ZINC001171614271 1051177450 /nfs/dbraw/zinc/17/74/50/1051177450.db2.gz WSRGDEHBEQZGNE-UHFFFAOYSA-N 1 3 302.506 4.087 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@@H]2CCCc3cc(F)ccc32)CC1(C)C ZINC001171627614 1051181363 /nfs/dbraw/zinc/18/13/63/1051181363.db2.gz YNUANKVSUGKJRO-GOSISDBHSA-N 1 3 318.480 4.444 20 0 DIADHO Cc1cnccc1[C@@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)C1CC1 ZINC001171626899 1051182025 /nfs/dbraw/zinc/18/20/25/1051182025.db2.gz GLTZMDKFICZFHF-SFHVURJKSA-N 1 3 315.505 4.082 20 0 DIADHO Cc1ccc(CC[C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC001171662744 1051185281 /nfs/dbraw/zinc/18/52/81/1051185281.db2.gz DITPXINYPPOZHT-GOSISDBHSA-N 1 3 314.517 4.313 20 0 DIADHO Cc1ccc(CC[C@@H](C)N2CCC([NH3+])(c3ccccc3)CC2)cc1 ZINC001171665521 1051187658 /nfs/dbraw/zinc/18/76/58/1051187658.db2.gz HJJVLHKQYZQSDA-LJQANCHMSA-N 1 3 322.496 4.266 20 0 DIADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1(C)C ZINC001171639972 1051193755 /nfs/dbraw/zinc/19/37/55/1051193755.db2.gz XFMGJNRTGKEIRR-MRXNPFEDSA-N 1 3 318.480 4.266 20 0 DIADHO CN1C(C)(C)CC([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1(C)C ZINC001171639972 1051193760 /nfs/dbraw/zinc/19/37/60/1051193760.db2.gz XFMGJNRTGKEIRR-MRXNPFEDSA-N 1 3 318.480 4.266 20 0 DIADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H](c3ccccc3F)C2)CC1(C)C ZINC001171636853 1051194328 /nfs/dbraw/zinc/19/43/28/1051194328.db2.gz IGHPRDCYIIPPJO-OAHLLOKOSA-N 1 3 318.480 4.266 20 0 DIADHO CN1C(C)(C)CC([N@H+]2CC[C@@H](c3ccccc3F)C2)CC1(C)C ZINC001171636853 1051194334 /nfs/dbraw/zinc/19/43/34/1051194334.db2.gz IGHPRDCYIIPPJO-OAHLLOKOSA-N 1 3 318.480 4.266 20 0 DIADHO CC[N@H+](Cc1cccc(F)c1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171641030 1051197355 /nfs/dbraw/zinc/19/73/55/1051197355.db2.gz ASISKBYKKIGFOO-UHFFFAOYSA-N 1 3 306.469 4.299 20 0 DIADHO CC[N@@H+](Cc1cccc(F)c1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171641030 1051197362 /nfs/dbraw/zinc/19/73/62/1051197362.db2.gz ASISKBYKKIGFOO-UHFFFAOYSA-N 1 3 306.469 4.299 20 0 DIADHO CC[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC001172101632 1051278787 /nfs/dbraw/zinc/27/87/87/1051278787.db2.gz GOMWURPSWILHAD-MHORFTMASA-N 1 3 306.881 4.396 20 0 DIADHO CC[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001172101632 1051278797 /nfs/dbraw/zinc/27/87/97/1051278797.db2.gz GOMWURPSWILHAD-MHORFTMASA-N 1 3 306.881 4.396 20 0 DIADHO C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)CCCC2 ZINC001172100257 1051284844 /nfs/dbraw/zinc/28/48/44/1051284844.db2.gz CBRPBKQNKPAJLX-KQLYMOGASA-N 1 3 312.501 4.231 20 0 DIADHO C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)CCCC2 ZINC001172100257 1051284848 /nfs/dbraw/zinc/28/48/48/1051284848.db2.gz CBRPBKQNKPAJLX-KQLYMOGASA-N 1 3 312.501 4.231 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cccc(-c3ccccc3)c1)C2 ZINC001172100517 1051285807 /nfs/dbraw/zinc/28/58/07/1051285807.db2.gz DGACUJWSQWYWTN-DKUWSORSSA-N 1 3 320.480 4.459 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cccc(-c3ccccc3)c1)C2 ZINC001172100517 1051285821 /nfs/dbraw/zinc/28/58/21/1051285821.db2.gz DGACUJWSQWYWTN-DKUWSORSSA-N 1 3 320.480 4.459 20 0 DIADHO C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)CCCC2 ZINC001172100255 1051286849 /nfs/dbraw/zinc/28/68/49/1051286849.db2.gz CBRPBKQNKPAJLX-FCRQHZQGSA-N 1 3 312.501 4.231 20 0 DIADHO C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)CCCC2 ZINC001172100255 1051286856 /nfs/dbraw/zinc/28/68/56/1051286856.db2.gz CBRPBKQNKPAJLX-FCRQHZQGSA-N 1 3 312.501 4.231 20 0 DIADHO CCC[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC001172104758 1051295692 /nfs/dbraw/zinc/29/56/92/1051295692.db2.gz CRCPVDJAYMXLFZ-AKHDSKFASA-N 1 3 304.453 4.272 20 0 DIADHO CCC[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001172104758 1051295703 /nfs/dbraw/zinc/29/57/03/1051295703.db2.gz CRCPVDJAYMXLFZ-AKHDSKFASA-N 1 3 304.453 4.272 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccc(C(C)(C)C)cc1)C2 ZINC001172103771 1051296588 /nfs/dbraw/zinc/29/65/88/1051296588.db2.gz XPQVHHVEBBXFJU-REPLKXPHSA-N 1 3 300.490 4.089 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccc(C(C)(C)C)cc1)C2 ZINC001172103771 1051296603 /nfs/dbraw/zinc/29/66/03/1051296603.db2.gz XPQVHHVEBBXFJU-REPLKXPHSA-N 1 3 300.490 4.089 20 0 DIADHO CCC[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC001172104767 1051298132 /nfs/dbraw/zinc/29/81/32/1051298132.db2.gz CRCPVDJAYMXLFZ-OKYOBFRVSA-N 1 3 304.453 4.272 20 0 DIADHO CCC[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001172104767 1051298147 /nfs/dbraw/zinc/29/81/47/1051298147.db2.gz CRCPVDJAYMXLFZ-OKYOBFRVSA-N 1 3 304.453 4.272 20 0 DIADHO CC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(F)cc1F ZINC001172116319 1051306749 /nfs/dbraw/zinc/30/67/49/1051306749.db2.gz GVTMAILDJVKQMR-BASYENTBSA-N 1 3 308.416 4.021 20 0 DIADHO CC[C@@H](C)OCC[C@H](C)[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172362241 1051374727 /nfs/dbraw/zinc/37/47/27/1051374727.db2.gz SBIJLVISTICIPK-ZWKOTPCHSA-N 1 3 324.553 4.309 20 0 DIADHO CC[C@@H](C)OCC[C@H](C)[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172362241 1051374735 /nfs/dbraw/zinc/37/47/35/1051374735.db2.gz SBIJLVISTICIPK-ZWKOTPCHSA-N 1 3 324.553 4.309 20 0 DIADHO C[C@H](c1ccc(C(C)(C)C)cc1)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001170451062 1051412737 /nfs/dbraw/zinc/41/27/37/1051412737.db2.gz GYGPSIMOOSIHQT-DYESRHJHSA-N 1 3 314.517 4.463 20 0 DIADHO C[C@H](c1ccc(C(C)(C)C)cc1)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001170451062 1051412742 /nfs/dbraw/zinc/41/27/42/1051412742.db2.gz GYGPSIMOOSIHQT-DYESRHJHSA-N 1 3 314.517 4.463 20 0 DIADHO c1ccc([C@@H]2CC[C@H]([NH+]3CCC(N4CCCCC4)CC3)C2)cc1 ZINC001172557219 1051438502 /nfs/dbraw/zinc/43/85/02/1051438502.db2.gz PJKYQIVTZJDROU-CTNGQTDRSA-N 1 3 312.501 4.273 20 0 DIADHO CC1([NH+]2CCCC2)CCN([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172567026 1051444237 /nfs/dbraw/zinc/44/42/37/1051444237.db2.gz BICHDNYKBSVVJO-UXHICEINSA-N 1 3 312.501 4.273 20 0 DIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](Cc1ccccc1)c1ccccc1)C2 ZINC001169081268 1051515255 /nfs/dbraw/zinc/51/52/55/1051515255.db2.gz PNHAHCQELJAGRW-CIAFKFPVSA-N 1 3 320.480 4.185 20 0 DIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](Cc1ccccc1)c1ccccc1)C2 ZINC001169081268 1051515267 /nfs/dbraw/zinc/51/52/67/1051515267.db2.gz PNHAHCQELJAGRW-CIAFKFPVSA-N 1 3 320.480 4.185 20 0 DIADHO Cc1ccc2c(c1)C[C@@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001172840395 1051528287 /nfs/dbraw/zinc/52/82/87/1051528287.db2.gz BPFOFFSZGSPPGU-SFHVURJKSA-N 1 3 314.517 4.093 20 0 DIADHO Cc1cc(C)cc(C[NH+]2CCC(NCc3ccccc3)CC2)c1 ZINC001170469340 1051585862 /nfs/dbraw/zinc/58/58/62/1051585862.db2.gz NZLVLTBFIMUKCX-UHFFFAOYSA-N 1 3 308.469 4.058 20 0 DIADHO CCCOC1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC001173094003 1051600198 /nfs/dbraw/zinc/60/01/98/1051600198.db2.gz QCZGMOYIQSKJRX-UHFFFAOYSA-N 1 3 322.537 4.111 20 0 DIADHO CC[NH+](CC)C1CCC(NCc2c(F)cccc2Cl)CC1 ZINC001173104967 1051608782 /nfs/dbraw/zinc/60/87/82/1051608782.db2.gz NCQCWXYNEANPCZ-UHFFFAOYSA-N 1 3 312.860 4.222 20 0 DIADHO C[C@H](CN)C[N@H+](C)[C@@H](C)CC(c1ccccc1)c1ccccc1 ZINC001173211528 1051650227 /nfs/dbraw/zinc/65/02/27/1051650227.db2.gz QZZKAPDCGXJQMO-MSOLQXFVSA-N 1 3 310.485 4.124 20 0 DIADHO C[C@H](CN)C[N@@H+](C)[C@@H](C)CC(c1ccccc1)c1ccccc1 ZINC001173211528 1051650236 /nfs/dbraw/zinc/65/02/36/1051650236.db2.gz QZZKAPDCGXJQMO-MSOLQXFVSA-N 1 3 310.485 4.124 20 0 DIADHO CC[C@H]1CC[C@@H](N2CCC([NH3+])(c3ccc(Cl)cc3)CC2)C1 ZINC001173273448 1051671477 /nfs/dbraw/zinc/67/14/77/1051671477.db2.gz ZSCOKFYJYJZAOV-WMLDXEAASA-N 1 3 306.881 4.169 20 0 DIADHO Cc1nc2ccc(N3CCC[C@@H]([NH3+])c4cc(C)ccc43)cc2[nH]1 ZINC001169699100 1051676844 /nfs/dbraw/zinc/67/68/44/1051676844.db2.gz UZSVLLZCEPSXNX-MRXNPFEDSA-N 1 3 306.413 4.111 20 0 DIADHO Cc1nc2ccc(N3CCC[C@H]([NH3+])c4cc(C)ccc43)cc2[nH]1 ZINC001169699099 1051677521 /nfs/dbraw/zinc/67/75/21/1051677521.db2.gz UZSVLLZCEPSXNX-INIZCTEOSA-N 1 3 306.413 4.111 20 0 DIADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCCC4(CCCCC4)C3)C[C@H]2C1 ZINC001173348700 1051707132 /nfs/dbraw/zinc/70/71/32/1051707132.db2.gz KRSIAAKNRNRAQG-GUDVDZBRSA-N 1 3 304.522 4.153 20 0 DIADHO Cc1cc(CN2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Cl)cc1Cl ZINC001206023604 1051717385 /nfs/dbraw/zinc/71/73/85/1051717385.db2.gz FXSNOVFMDBXDSR-STQMWFEESA-N 1 3 315.288 4.109 20 0 DIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)N1CCC(C)([NH3+])CC1 ZINC001173549772 1051749232 /nfs/dbraw/zinc/74/92/32/1051749232.db2.gz IKLJAMZSFFFEQT-LBPRGKRZSA-N 1 3 315.288 4.128 20 0 DIADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H](C)c1csc(C(C)C)n1 ZINC000186193363 1051800143 /nfs/dbraw/zinc/80/01/43/1051800143.db2.gz JZKVCLANCHDXOR-CABCVRRESA-N 1 3 311.539 4.428 20 0 DIADHO C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768228857 1051907893 /nfs/dbraw/zinc/90/78/93/1051907893.db2.gz KPOUQYCTMAHWMJ-CQSZACIVSA-N 1 3 318.411 4.219 20 0 DIADHO CCc1ccc([C@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)o1 ZINC000195139632 1052035707 /nfs/dbraw/zinc/03/57/07/1052035707.db2.gz LOGPTBMMDQRVDR-FUHWJXTLSA-N 1 3 312.457 4.015 20 0 DIADHO CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)o1 ZINC000195139613 1052036016 /nfs/dbraw/zinc/03/60/16/1052036016.db2.gz LOGPTBMMDQRVDR-WMZOPIPTSA-N 1 3 312.457 4.015 20 0 DIADHO CN(Cc1cc2ccccc2o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000769500005 1052068648 /nfs/dbraw/zinc/06/86/48/1052068648.db2.gz ZKXQVZZCIBKNSO-UHFFFAOYSA-N 1 3 308.425 4.126 20 0 DIADHO CC[N@H+](C)C[C@H]1CCN(Cc2ccccc2-c2ccccc2)C1 ZINC000769517206 1052072018 /nfs/dbraw/zinc/07/20/18/1052072018.db2.gz ZYIGEKBLQCKZAS-GOSISDBHSA-N 1 3 308.469 4.127 20 0 DIADHO CC[N@@H+](C)C[C@H]1CCN(Cc2ccccc2-c2ccccc2)C1 ZINC000769517206 1052072036 /nfs/dbraw/zinc/07/20/36/1052072036.db2.gz ZYIGEKBLQCKZAS-GOSISDBHSA-N 1 3 308.469 4.127 20 0 DIADHO CCN(C)C[C@H]1CC[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC000769517206 1052072045 /nfs/dbraw/zinc/07/20/45/1052072045.db2.gz ZYIGEKBLQCKZAS-GOSISDBHSA-N 1 3 308.469 4.127 20 0 DIADHO CCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC000769517206 1052072068 /nfs/dbraw/zinc/07/20/68/1052072068.db2.gz ZYIGEKBLQCKZAS-GOSISDBHSA-N 1 3 308.469 4.127 20 0 DIADHO c1csc([C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C2CCCC2)c1 ZINC000250100774 1052218925 /nfs/dbraw/zinc/21/89/25/1052218925.db2.gz WTYITBALPAWYGJ-SOLBZPMBSA-N 1 3 304.503 4.196 20 0 DIADHO c1csc([C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CCCC2)c1 ZINC000250100774 1052218932 /nfs/dbraw/zinc/21/89/32/1052218932.db2.gz WTYITBALPAWYGJ-SOLBZPMBSA-N 1 3 304.503 4.196 20 0 DIADHO c1ccc(CN2CCCC[C@H](C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000310024953 1052254006 /nfs/dbraw/zinc/25/40/06/1052254006.db2.gz UERFFAUBMPZUJW-MXEMCNAFSA-N 1 3 312.501 4.067 20 0 DIADHO Fc1ccc(F)c(CN2CCCC3(CCCC[NH2+]C3)CCC2)c1 ZINC001222109334 1052443351 /nfs/dbraw/zinc/44/33/51/1052443351.db2.gz FRZVLLMUUOLFHP-UHFFFAOYSA-N 1 3 322.443 4.101 20 0 DIADHO Cc1ccc([C@@H](C)CCN2CCCC[C@]3(CCCC[NH2+]C3)C2)o1 ZINC001222155296 1052452608 /nfs/dbraw/zinc/45/26/08/1052452608.db2.gz ZNJLPPPSSPPUTO-PXNSSMCTSA-N 1 3 318.505 4.327 20 0 DIADHO Cc1ccc(CN2CCC[C@]3(CCC[NH2+]C3)C2)c2ccccc12 ZINC001222265757 1052471189 /nfs/dbraw/zinc/47/11/89/1052471189.db2.gz XKSUSBCKCHBMCL-NRFANRHFSA-N 1 3 308.469 4.114 20 0 DIADHO Cc1sc2ccccc2c1CN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222271277 1052471893 /nfs/dbraw/zinc/47/18/93/1052471893.db2.gz FCQYRRMVQDZQJF-LJQANCHMSA-N 1 3 314.498 4.175 20 0 DIADHO c1cc2ccc(CN3CCC[C@]34CCC[NH2+]CC4)cc2s1 ZINC001222320591 1052481853 /nfs/dbraw/zinc/48/18/53/1052481853.db2.gz KVVGOYPMHWHRKH-SFHVURJKSA-N 1 3 300.471 4.009 20 0 DIADHO CCC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000322368322 1052485059 /nfs/dbraw/zinc/48/50/59/1052485059.db2.gz DBSVDGREGLVYQR-FBVQUNGASA-N 1 3 306.881 4.396 20 0 DIADHO CCC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000322368322 1052485063 /nfs/dbraw/zinc/48/50/63/1052485063.db2.gz DBSVDGREGLVYQR-FBVQUNGASA-N 1 3 306.881 4.396 20 0 DIADHO CSc1ccc(Cl)cc1CN1CCC2(CCC[NH2+]C2)CC1 ZINC001222461634 1052502775 /nfs/dbraw/zinc/50/27/75/1052502775.db2.gz XCDBPCNRLHYIHY-UHFFFAOYSA-N 1 3 324.921 4.028 20 0 DIADHO c1ccc2c(c1)sc1c2cccc1C[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222620481 1052518693 /nfs/dbraw/zinc/51/86/93/1052518693.db2.gz UUCXKBVWXNGNGO-KBXCAEBGSA-N 1 3 322.477 4.238 20 0 DIADHO c1ccc2c(c1)sc1c2cccc1C[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222620481 1052518703 /nfs/dbraw/zinc/51/87/03/1052518703.db2.gz UUCXKBVWXNGNGO-KBXCAEBGSA-N 1 3 322.477 4.238 20 0 DIADHO COc1ccc(Cl)cc1CNCCCC[N@@H+]1CCCC[C@@H]1C ZINC000916834717 1052657943 /nfs/dbraw/zinc/65/79/43/1052657943.db2.gz VVMJNDVFNUHHGM-HNNXBMFYSA-N 1 3 324.896 4.093 20 0 DIADHO COc1ccc(Cl)cc1CNCCCC[N@H+]1CCCC[C@@H]1C ZINC000916834717 1052657947 /nfs/dbraw/zinc/65/79/47/1052657947.db2.gz VVMJNDVFNUHHGM-HNNXBMFYSA-N 1 3 324.896 4.093 20 0 DIADHO C[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1cc2ccccc2s1 ZINC000126555494 1052671828 /nfs/dbraw/zinc/67/18/28/1052671828.db2.gz YNIBEUNRQYJPOT-LSDHHAIUSA-N 1 3 302.487 4.284 20 0 DIADHO Cc1cccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)c1C ZINC000065976662 1052683165 /nfs/dbraw/zinc/68/31/65/1052683165.db2.gz KFLBVEJUUSIRCK-UHFFFAOYSA-N 1 3 310.485 4.433 20 0 DIADHO Cc1cccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)c1C ZINC000065976662 1052683169 /nfs/dbraw/zinc/68/31/69/1052683169.db2.gz KFLBVEJUUSIRCK-UHFFFAOYSA-N 1 3 310.485 4.433 20 0 DIADHO CCC[NH+]1CCC(N[C@@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000129793884 1052811275 /nfs/dbraw/zinc/81/12/75/1052811275.db2.gz OZXDLSYPMIJRHT-AWEZNQCLSA-N 1 3 306.519 4.152 20 0 DIADHO CN1CCCC[C@@H]1CC[N@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000556888112 1052894915 /nfs/dbraw/zinc/89/49/15/1052894915.db2.gz XUDOVFDKOBDXOD-HXUWFJFHSA-N 1 3 323.484 4.055 20 0 DIADHO CN1CCCC[C@@H]1CC[N@@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000556888112 1052894919 /nfs/dbraw/zinc/89/49/19/1052894919.db2.gz XUDOVFDKOBDXOD-HXUWFJFHSA-N 1 3 323.484 4.055 20 0 DIADHO CC(C)c1ccc(C[C@@H](C)CN2CCC3(CCC[NH2+]3)CC2)cc1 ZINC001226786156 1052931090 /nfs/dbraw/zinc/93/10/90/1052931090.db2.gz WJNDVIWMOQKQFU-GOSISDBHSA-N 1 3 314.517 4.207 20 0 DIADHO CC[C@H]([NH2+]C[C@H]1CCCN(CC)C1)c1cc(Cl)ccc1OC ZINC001319187323 1053224321 /nfs/dbraw/zinc/22/43/21/1053224321.db2.gz MEVDWFYHSSNVIT-PBHICJAKSA-N 1 3 324.896 4.121 20 0 DIADHO CCN1CCC[C@H](C[NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC001319199193 1053226319 /nfs/dbraw/zinc/22/63/19/1053226319.db2.gz RWBAVNCFVXETBV-CJNGLKHVSA-N 1 3 324.921 4.198 20 0 DIADHO [NH3+]C[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1 ZINC000324548925 1053463795 /nfs/dbraw/zinc/46/37/95/1053463795.db2.gz PJOSCCVPUZYHLL-GOSISDBHSA-N 1 3 310.441 4.040 20 0 DIADHO CCC[NH+]1CCC(CNCc2cc(Cl)ccc2Cl)CC1 ZINC001200232590 1053485798 /nfs/dbraw/zinc/48/57/98/1053485798.db2.gz NINKHVKQEDHPFZ-UHFFFAOYSA-N 1 3 315.288 4.205 20 0 DIADHO C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3-c3ccc(F)cc3)C2)C1 ZINC001231824441 1053878459 /nfs/dbraw/zinc/87/84/59/1053878459.db2.gz DSSIBKMCHMVMEV-OAQYLSRUSA-N 1 3 324.443 4.020 20 0 DIADHO C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3-c3ccc(F)cc3)C2)C1 ZINC001231824441 1053878473 /nfs/dbraw/zinc/87/84/73/1053878473.db2.gz DSSIBKMCHMVMEV-OAQYLSRUSA-N 1 3 324.443 4.020 20 0 DIADHO Cc1ccc(CN(C)Cc2cc(F)cc(C[NH+](C)C)c2)cc1C ZINC001232150205 1053973164 /nfs/dbraw/zinc/97/31/64/1053973164.db2.gz UMJBUKCEBSGPFJ-UHFFFAOYSA-N 1 3 314.448 4.136 20 0 DIADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc2ccccc2s1 ZINC000296560277 1054091107 /nfs/dbraw/zinc/09/11/07/1054091107.db2.gz SFEGHXCIXWRIBN-WWTUQBGBSA-N 1 3 300.471 4.177 20 0 DIADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc2ccccc2s1 ZINC000296560277 1054091109 /nfs/dbraw/zinc/09/11/09/1054091109.db2.gz SFEGHXCIXWRIBN-WWTUQBGBSA-N 1 3 300.471 4.177 20 0 DIADHO CC[C@@H](C)c1ccc(NC(=[NH2+])NCCN2CCCCCC2)cc1 ZINC000849059120 1054366679 /nfs/dbraw/zinc/36/66/79/1054366679.db2.gz CQUYKENYTNYSTA-MRXNPFEDSA-N 1 3 316.493 4.012 20 0 DIADHO C[C@H](CN1CCC[C@]2(CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC001234992125 1054637612 /nfs/dbraw/zinc/63/76/12/1054637612.db2.gz JBHGDWFPDCLKKZ-DYESRHJHSA-N 1 3 308.469 4.019 20 0 DIADHO c1ccc(-c2ccccc2CN2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235047254 1054646078 /nfs/dbraw/zinc/64/60/78/1054646078.db2.gz UKVZLTAEZXOQLV-QFIPXVFZSA-N 1 3 320.480 4.462 20 0 DIADHO c1ccc2c(c1)oc1c2cccc1C[N@@H+]1CCCC12CCNCC2 ZINC001235141334 1054664744 /nfs/dbraw/zinc/66/47/44/1054664744.db2.gz RDUIDGANVISSQT-UHFFFAOYSA-N 1 3 320.436 4.304 20 0 DIADHO c1ccc2c(c1)oc1c2cccc1C[N@H+]1CCCC12CCNCC2 ZINC001235141334 1054664759 /nfs/dbraw/zinc/66/47/59/1054664759.db2.gz RDUIDGANVISSQT-UHFFFAOYSA-N 1 3 320.436 4.304 20 0 DIADHO c1sc2ccccc2c1C[N@@H+]1CCCCC12CCNCC2 ZINC001235189619 1054681066 /nfs/dbraw/zinc/68/10/66/1054681066.db2.gz NUHCKNJZMNOKGD-UHFFFAOYSA-N 1 3 300.471 4.009 20 0 DIADHO c1sc2ccccc2c1C[N@H+]1CCCCC12CCNCC2 ZINC001235189619 1054681072 /nfs/dbraw/zinc/68/10/72/1054681072.db2.gz NUHCKNJZMNOKGD-UHFFFAOYSA-N 1 3 300.471 4.009 20 0 DIADHO c1sc2ccccc2c1CN1CCCCC12CC[NH2+]CC2 ZINC001235189619 1054681078 /nfs/dbraw/zinc/68/10/78/1054681078.db2.gz NUHCKNJZMNOKGD-UHFFFAOYSA-N 1 3 300.471 4.009 20 0 DIADHO Cc1sc2ccccc2c1C[N@@H+]1CCCCC12CCNCC2 ZINC001235189525 1054681942 /nfs/dbraw/zinc/68/19/42/1054681942.db2.gz LABOWOMKFUNIHB-UHFFFAOYSA-N 1 3 314.498 4.318 20 0 DIADHO Cc1sc2ccccc2c1C[N@H+]1CCCCC12CCNCC2 ZINC001235189525 1054681946 /nfs/dbraw/zinc/68/19/46/1054681946.db2.gz LABOWOMKFUNIHB-UHFFFAOYSA-N 1 3 314.498 4.318 20 0 DIADHO Fc1cccc2c(CN3CCCCC34CC[NH2+]CC4)cccc12 ZINC001235191654 1054682268 /nfs/dbraw/zinc/68/22/68/1054682268.db2.gz USXLMPHKHFWDHL-UHFFFAOYSA-N 1 3 312.432 4.087 20 0 DIADHO Fc1cccc2c(C[N@@H+]3CCCCC34CCNCC4)cccc12 ZINC001235191654 1054682272 /nfs/dbraw/zinc/68/22/72/1054682272.db2.gz USXLMPHKHFWDHL-UHFFFAOYSA-N 1 3 312.432 4.087 20 0 DIADHO Fc1cccc2c(C[N@H+]3CCCCC34CCNCC4)cccc12 ZINC001235191654 1054682277 /nfs/dbraw/zinc/68/22/77/1054682277.db2.gz USXLMPHKHFWDHL-UHFFFAOYSA-N 1 3 312.432 4.087 20 0 DIADHO Cc1ccc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)c(Cl)c1 ZINC001235230668 1054686273 /nfs/dbraw/zinc/68/62/73/1054686273.db2.gz WNDYYMMEATUULK-SFHVURJKSA-N 1 3 306.881 4.003 20 0 DIADHO Cc1csc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)c1Cl ZINC001235231599 1054686456 /nfs/dbraw/zinc/68/64/56/1054686456.db2.gz UTPCCDISCKLTDG-CQSZACIVSA-N 1 3 312.910 4.064 20 0 DIADHO Fc1ccc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)cc1C1CC1 ZINC001235235770 1054686555 /nfs/dbraw/zinc/68/65/55/1054686555.db2.gz ARMQZUQSPWUHQT-HXUWFJFHSA-N 1 3 316.464 4.057 20 0 DIADHO Cc1ccc(Cl)c(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235237896 1054689857 /nfs/dbraw/zinc/68/98/57/1054689857.db2.gz NQUVEGPPRLCJAA-SFHVURJKSA-N 1 3 306.881 4.003 20 0 DIADHO c1ccc2c(c1)sc1c2cccc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235272721 1054696859 /nfs/dbraw/zinc/69/68/59/1054696859.db2.gz QVDPMNUJIPGRFG-KDOFPFPSSA-N 1 3 322.477 4.238 20 0 DIADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2ccccc2c1 ZINC000623785008 1054760815 /nfs/dbraw/zinc/76/08/15/1054760815.db2.gz SWSQTRQEQBOKFX-RTWAWAEBSA-N 1 3 322.496 4.334 20 0 DIADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2ccccc2c1 ZINC000623785008 1054760821 /nfs/dbraw/zinc/76/08/21/1054760821.db2.gz SWSQTRQEQBOKFX-RTWAWAEBSA-N 1 3 322.496 4.334 20 0 DIADHO COc1cccc([C@H]2CCCCN2Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC001235727997 1054792787 /nfs/dbraw/zinc/79/27/87/1054792787.db2.gz WTMAAHVXFYVCGB-OAQYLSRUSA-N 1 3 322.452 4.026 20 0 DIADHO CC1([NH3+])CCN(Cc2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC001235750016 1054798415 /nfs/dbraw/zinc/79/84/15/1054798415.db2.gz ZAKYYQXPKLWRDZ-UHFFFAOYSA-N 1 3 319.452 4.148 20 0 DIADHO CCOc1ccc([C@@H]2CCCN2Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001235840367 1054820227 /nfs/dbraw/zinc/82/02/27/1054820227.db2.gz KQXQZISFRWYBPP-NRFANRHFSA-N 1 3 322.452 4.026 20 0 DIADHO CCOc1ccc([C@H]2CCCN2Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001235840368 1054820452 /nfs/dbraw/zinc/82/04/52/1054820452.db2.gz KQXQZISFRWYBPP-OAQYLSRUSA-N 1 3 322.452 4.026 20 0 DIADHO CC(C)=CCCC1=CC[C@H](C[N@H+](C)C[C@H]2CCCNC2)CC1 ZINC001235951384 1054865927 /nfs/dbraw/zinc/86/59/27/1054865927.db2.gz RSRXBKZCCPDXCR-PMACEKPBSA-N 1 3 304.522 4.391 20 0 DIADHO CC(C)=CCCC1=CC[C@H](C[N@@H+](C)C[C@H]2CCCNC2)CC1 ZINC001235951384 1054865932 /nfs/dbraw/zinc/86/59/32/1054865932.db2.gz RSRXBKZCCPDXCR-PMACEKPBSA-N 1 3 304.522 4.391 20 0 DIADHO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624119453 1054884982 /nfs/dbraw/zinc/88/49/82/1054884982.db2.gz BJZNUAUBXQAPEH-CVEARBPZSA-N 1 3 300.446 4.124 20 0 DIADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(-c2ccncc2)cc1 ZINC000624121168 1054886156 /nfs/dbraw/zinc/88/61/56/1054886156.db2.gz PMJUQUDFKBNKSM-ZWKOTPCHSA-N 1 3 323.484 4.131 20 0 DIADHO CN1CCCC[C@@H](C[NH2+][C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000624123318 1054886251 /nfs/dbraw/zinc/88/62/51/1054886251.db2.gz JTXBEUAVZCJRFS-FXAWDEMLSA-N 1 3 315.505 4.025 20 0 DIADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(-c2ccncc2)c1 ZINC000624121152 1054886339 /nfs/dbraw/zinc/88/63/39/1054886339.db2.gz PGUNOGZCHHVZFK-MSOLQXFVSA-N 1 3 323.484 4.131 20 0 DIADHO c1csc(-c2ccc(CN3CC4(C3)CCC[NH2+]CC4)s2)c1 ZINC001236008493 1054894802 /nfs/dbraw/zinc/89/48/02/1054894802.db2.gz FUQSBBJCSQOKEB-UHFFFAOYSA-N 1 3 318.511 4.052 20 0 DIADHO c1ccc(Oc2ccc(CN3CC4(C3)CCC[NH2+]CC4)cc2)cc1 ZINC001236008924 1054895180 /nfs/dbraw/zinc/89/51/80/1054895180.db2.gz NLTKHIDFDZEGNP-UHFFFAOYSA-N 1 3 322.452 4.054 20 0 DIADHO Fc1c(CN2CCCCC2)cccc1-c1ccc2c(c1)C[NH2+]C2 ZINC001236012146 1054897164 /nfs/dbraw/zinc/89/71/64/1054897164.db2.gz LHMYMFMCMHBARF-UHFFFAOYSA-N 1 3 310.416 4.082 20 0 DIADHO C[C@H]1C[C@@H](N)C[N@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC001236045326 1054912109 /nfs/dbraw/zinc/91/21/09/1054912109.db2.gz BXKMKSXOWGYJNI-DOTOQJQBSA-N 1 3 319.452 4.004 20 0 DIADHO C[C@H]1C[C@@H](N)C[N@@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC001236045326 1054912128 /nfs/dbraw/zinc/91/21/28/1054912128.db2.gz BXKMKSXOWGYJNI-DOTOQJQBSA-N 1 3 319.452 4.004 20 0 DIADHO C[C@@H]1C[C@@H](N)C[N@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC001236045327 1054912547 /nfs/dbraw/zinc/91/25/47/1054912547.db2.gz BXKMKSXOWGYJNI-NVXWUHKLSA-N 1 3 319.452 4.004 20 0 DIADHO C[C@@H]1C[C@@H](N)C[N@@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC001236045327 1054912555 /nfs/dbraw/zinc/91/25/55/1054912555.db2.gz BXKMKSXOWGYJNI-NVXWUHKLSA-N 1 3 319.452 4.004 20 0 DIADHO [NH3+]C1CCN(Cc2ccccc2-c2cccc(C3CC3)c2)CC1 ZINC001236087050 1054934072 /nfs/dbraw/zinc/93/40/72/1054934072.db2.gz BBKZSAANVHVOLY-UHFFFAOYSA-N 1 3 306.453 4.154 20 0 DIADHO C[C@H]1C[N@H+](Cc2ccccc2-c2ccc(Cl)cc2)CCCN1 ZINC001236094376 1054940839 /nfs/dbraw/zinc/94/08/39/1054940839.db2.gz CSISYNDZLIZYQR-HNNXBMFYSA-N 1 3 314.860 4.191 20 0 DIADHO C[C@H]1C[N@@H+](Cc2ccccc2-c2ccc(Cl)cc2)CCCN1 ZINC001236094376 1054940853 /nfs/dbraw/zinc/94/08/53/1054940853.db2.gz CSISYNDZLIZYQR-HNNXBMFYSA-N 1 3 314.860 4.191 20 0 DIADHO CN(Cc1ccc2c(c1)C[NH2+]C2)Cc1ccc2ccccc2c1 ZINC001236183782 1054983514 /nfs/dbraw/zinc/98/35/14/1054983514.db2.gz ILSQUCHLIHAUMD-UHFFFAOYSA-N 1 3 302.421 4.075 20 0 DIADHO Cc1c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2N)cccc1-c1ccccc1 ZINC001236219384 1055009575 /nfs/dbraw/zinc/00/95/75/1055009575.db2.gz VOEHMPRZTZGJKZ-LEWJYISDSA-N 1 3 308.469 4.364 20 0 DIADHO Cc1c(C[N@H+](C)[C@@H]2CCCC[C@@H]2N)cccc1-c1ccccc1 ZINC001236219384 1055009590 /nfs/dbraw/zinc/00/95/90/1055009590.db2.gz VOEHMPRZTZGJKZ-LEWJYISDSA-N 1 3 308.469 4.364 20 0 DIADHO C[N@H+](Cc1cccc2c3ccccc3oc21)C1(C)CCNCC1 ZINC001236225708 1055016303 /nfs/dbraw/zinc/01/63/03/1055016303.db2.gz CTLMJMPOQWUKJB-UHFFFAOYSA-N 1 3 308.425 4.160 20 0 DIADHO C[N@@H+](Cc1cccc2c3ccccc3oc21)C1(C)CCNCC1 ZINC001236225708 1055016317 /nfs/dbraw/zinc/01/63/17/1055016317.db2.gz CTLMJMPOQWUKJB-UHFFFAOYSA-N 1 3 308.425 4.160 20 0 DIADHO CN(Cc1ccc(C2CCCCC2)cc1)C1(C)CC[NH2+]CC1 ZINC001236228061 1055019604 /nfs/dbraw/zinc/01/96/04/1055019604.db2.gz PGSSCWNTBZZHDO-UHFFFAOYSA-N 1 3 300.490 4.308 20 0 DIADHO C[N@H+](Cc1ccc(C2CCCCC2)cc1)C1(C)CCNCC1 ZINC001236228061 1055019618 /nfs/dbraw/zinc/01/96/18/1055019618.db2.gz PGSSCWNTBZZHDO-UHFFFAOYSA-N 1 3 300.490 4.308 20 0 DIADHO C[N@@H+](Cc1ccc(C2CCCCC2)cc1)C1(C)CCNCC1 ZINC001236228061 1055019634 /nfs/dbraw/zinc/01/96/34/1055019634.db2.gz PGSSCWNTBZZHDO-UHFFFAOYSA-N 1 3 300.490 4.308 20 0 DIADHO [NH3+][C@H]1CCc2c1cccc2-c1ccc(CN2CCCCC2)c(F)c1 ZINC001236249951 1055033708 /nfs/dbraw/zinc/03/37/08/1055033708.db2.gz FHHIFVYWMBJGHN-NRFANRHFSA-N 1 3 324.443 4.425 20 0 DIADHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1cnc2ccsc2c1 ZINC000183948878 1055063134 /nfs/dbraw/zinc/06/31/34/1055063134.db2.gz PIWAOJKMFYMBJM-CQSZACIVSA-N 1 3 317.502 4.069 20 0 DIADHO FC1(F)CCC(C[N@H+](C[C@@H]2CCCNC2)C2CCCC2)CC1 ZINC001236371268 1055079853 /nfs/dbraw/zinc/07/98/53/1055079853.db2.gz JJTWLEBZGGNTSI-MRXNPFEDSA-N 1 3 314.464 4.056 20 0 DIADHO FC1(F)CCC(C[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)CC1 ZINC001236371268 1055079868 /nfs/dbraw/zinc/07/98/68/1055079868.db2.gz JJTWLEBZGGNTSI-MRXNPFEDSA-N 1 3 314.464 4.056 20 0 DIADHO Cc1c(F)cc(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1F ZINC001236375376 1055083188 /nfs/dbraw/zinc/08/31/88/1055083188.db2.gz JTQJOISHDNMZNI-OAHLLOKOSA-N 1 3 322.443 4.017 20 0 DIADHO CC(C)CSCCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185672770 1055095971 /nfs/dbraw/zinc/09/59/71/1055095971.db2.gz AZDJCKJOBYUJRC-DLBZAZTESA-N 1 3 312.567 4.008 20 0 DIADHO CCN(Cc1ccc(C2CCCCC2)cc1)C[C@H]1CC[NH2+]C1 ZINC001236412107 1055102550 /nfs/dbraw/zinc/10/25/50/1055102550.db2.gz QVKLFHZNWFOZDZ-SFHVURJKSA-N 1 3 300.490 4.166 20 0 DIADHO CCN(CC)Cc1ccc(-c2cccc(C[NH+](C)C)c2)cc1F ZINC001236425031 1055106709 /nfs/dbraw/zinc/10/67/09/1055106709.db2.gz CHTKYLIUBJLKSP-UHFFFAOYSA-N 1 3 314.448 4.396 20 0 DIADHO Cc1cc(Cl)ccc1C[N@@H+](CC(C)(C)C)C1CCNCC1 ZINC001236457734 1055125528 /nfs/dbraw/zinc/12/55/28/1055125528.db2.gz PVLXHDRAVYYYPI-UHFFFAOYSA-N 1 3 308.897 4.249 20 0 DIADHO Cc1cc(Cl)ccc1C[N@H+](CC(C)(C)C)C1CCNCC1 ZINC001236457734 1055125525 /nfs/dbraw/zinc/12/55/25/1055125525.db2.gz PVLXHDRAVYYYPI-UHFFFAOYSA-N 1 3 308.897 4.249 20 0 DIADHO Cc1cc(Cl)ccc1CN(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236457734 1055125534 /nfs/dbraw/zinc/12/55/34/1055125534.db2.gz PVLXHDRAVYYYPI-UHFFFAOYSA-N 1 3 308.897 4.249 20 0 DIADHO CC(C)(C)C[N@H+](Cc1ccc2occc2c1)C1CCNCC1 ZINC001236458219 1055127523 /nfs/dbraw/zinc/12/75/23/1055127523.db2.gz TUOUPEGJMFHKOT-UHFFFAOYSA-N 1 3 300.446 4.033 20 0 DIADHO CC(C)(C)C[N@@H+](Cc1ccc2occc2c1)C1CCNCC1 ZINC001236458219 1055127528 /nfs/dbraw/zinc/12/75/28/1055127528.db2.gz TUOUPEGJMFHKOT-UHFFFAOYSA-N 1 3 300.446 4.033 20 0 DIADHO COC(C)(C)CCC[C@H](C)CC[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001236584627 1055199559 /nfs/dbraw/zinc/19/95/59/1055199559.db2.gz MKQYESREGYYSLT-ZWKOTPCHSA-N 1 3 324.553 4.072 20 0 DIADHO COC(C)(C)CCC[C@H](C)CC[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001236584627 1055199567 /nfs/dbraw/zinc/19/95/67/1055199567.db2.gz MKQYESREGYYSLT-ZWKOTPCHSA-N 1 3 324.553 4.072 20 0 DIADHO Cc1c2ccccc2sc1CN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236599574 1055201541 /nfs/dbraw/zinc/20/15/41/1055201541.db2.gz STEYTFRPLXGKAU-OAHLLOKOSA-N 1 3 314.498 4.174 20 0 DIADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(SC(F)F)cc1 ZINC000764665194 1055230655 /nfs/dbraw/zinc/23/06/55/1055230655.db2.gz DGIADFWFPFZZHG-CYBMUJFWSA-N 1 3 314.445 4.138 20 0 DIADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(SC(F)F)cc1 ZINC000764665199 1055230712 /nfs/dbraw/zinc/23/07/12/1055230712.db2.gz DGIADFWFPFZZHG-ZDUSSCGKSA-N 1 3 314.445 4.138 20 0 DIADHO [NH3+][C@H]1CC[C@H]([N@@H+](Cc2occc2[S-])CC2CCCCC2)CC1 ZINC001236768356 1055256031 /nfs/dbraw/zinc/25/60/31/1055256031.db2.gz NDNFQDRXMOBFJY-WKILWMFISA-N 1 3 322.518 4.221 20 0 DIADHO [NH3+][C@H]1CC[C@H]([N@H+](Cc2occc2[S-])CC2CCCCC2)CC1 ZINC001236768356 1055256050 /nfs/dbraw/zinc/25/60/50/1055256050.db2.gz NDNFQDRXMOBFJY-WKILWMFISA-N 1 3 322.518 4.221 20 0 DIADHO CCCCCOc1ccc(CN(CCC)C[C@@H]2CC[NH2+]C2)cc1 ZINC001236834922 1055284382 /nfs/dbraw/zinc/28/43/82/1055284382.db2.gz KPUKDLVFZDWHNH-LJQANCHMSA-N 1 3 318.505 4.077 20 0 DIADHO c1ccc(CC[C@@H]2CCC[N@H+](Cc3ccc4c(c3)CNC4)C2)cc1 ZINC001236948437 1055316747 /nfs/dbraw/zinc/31/67/47/1055316747.db2.gz DZJDKYVAYJNBCI-IBGZPJMESA-N 1 3 320.480 4.135 20 0 DIADHO c1ccc(CC[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CNC4)C2)cc1 ZINC001236948437 1055316765 /nfs/dbraw/zinc/31/67/65/1055316765.db2.gz DZJDKYVAYJNBCI-IBGZPJMESA-N 1 3 320.480 4.135 20 0 DIADHO C[C@]1(C[NH3+])CCCN(Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001237059205 1055354099 /nfs/dbraw/zinc/35/40/99/1055354099.db2.gz RQMCIHPCMXVEED-HXUWFJFHSA-N 1 3 312.432 4.054 20 0 DIADHO C[C@]1(C[NH3+])CCCN(Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001237082290 1055363125 /nfs/dbraw/zinc/36/31/25/1055363125.db2.gz OSWGOQLYKQLDAN-HXUWFJFHSA-N 1 3 312.432 4.054 20 0 DIADHO C[C@H](CN1CC[C@@H]2[NH2+]CCC[C@H]2C1)c1cccc2ccccc21 ZINC001237380726 1055444502 /nfs/dbraw/zinc/44/45/02/1055444502.db2.gz HCVANNYESFRZEB-MMOPVJDHSA-N 1 3 308.469 4.017 20 0 DIADHO c1ccc2c(c1)oc1c2cccc1CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237390436 1055444752 /nfs/dbraw/zinc/44/47/52/1055444752.db2.gz IEGCZEBKEGUAAD-HNAYVOBHSA-N 1 3 320.436 4.160 20 0 DIADHO Cc1c(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cccc1-c1ccccc1 ZINC001237585959 1055480901 /nfs/dbraw/zinc/48/09/01/1055480901.db2.gz SNMZUVQTZSQMDM-JOCHJYFZSA-N 1 3 320.480 4.190 20 0 DIADHO Cc1c(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cccc1-c1ccccc1 ZINC001237585959 1055480907 /nfs/dbraw/zinc/48/09/07/1055480907.db2.gz SNMZUVQTZSQMDM-JOCHJYFZSA-N 1 3 320.480 4.190 20 0 DIADHO CCc1cccc2cc(C[NH2+]CC3(CN(C)C)CCCC3)oc21 ZINC001620896300 1055522071 /nfs/dbraw/zinc/52/20/71/1055522071.db2.gz HYKDSGUJLWYCPO-UHFFFAOYSA-N 1 3 314.473 4.207 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@H+](C)Cc3ccccc3)cc21 ZINC001237880623 1055548377 /nfs/dbraw/zinc/54/83/77/1055548377.db2.gz HPIBAFZGXJEYNR-UHFFFAOYSA-N 1 3 306.453 4.320 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@@H+](C)Cc3ccccc3)cc21 ZINC001237880623 1055548385 /nfs/dbraw/zinc/54/83/85/1055548385.db2.gz HPIBAFZGXJEYNR-UHFFFAOYSA-N 1 3 306.453 4.320 20 0 DIADHO CN1CC[C@]2(CC[N@H+](Cc3ccc(F)c(-c4ccccc4)c3)C2)C1 ZINC001238547973 1055683323 /nfs/dbraw/zinc/68/33/23/1055683323.db2.gz GJDRKLRFTCPTMD-NRFANRHFSA-N 1 3 324.443 4.020 20 0 DIADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(F)c(-c4ccccc4)c3)C2)C1 ZINC001238547973 1055683325 /nfs/dbraw/zinc/68/33/25/1055683325.db2.gz GJDRKLRFTCPTMD-NRFANRHFSA-N 1 3 324.443 4.020 20 0 DIADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNCc3ccccc3)cc2)C1 ZINC000061000058 1055857905 /nfs/dbraw/zinc/85/79/05/1055857905.db2.gz LSAPPAJGVJVOIQ-OALUTQOASA-N 1 3 322.496 4.454 20 0 DIADHO Cc1c2cccc(Cl)c2sc1CN[C@H](C)CC[NH+](C)C ZINC001620758103 1055930185 /nfs/dbraw/zinc/93/01/85/1055930185.db2.gz UVMBTLGTRIHHHH-LLVKDONJSA-N 1 3 310.894 4.293 20 0 DIADHO C[NH+](C)Cc1ccccc1-c1ccc(F)c(CN2CCCC2)c1 ZINC001239685663 1056028497 /nfs/dbraw/zinc/02/84/97/1056028497.db2.gz WZVSRJDHVOHBPI-UHFFFAOYSA-N 1 3 312.432 4.150 20 0 DIADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)C1 ZINC001620819086 1056107318 /nfs/dbraw/zinc/10/73/18/1056107318.db2.gz MCQVSTCMAJXPGJ-LEWJYISDSA-N 1 3 308.469 4.316 20 0 DIADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)C1 ZINC001116288077 1056197542 /nfs/dbraw/zinc/19/75/42/1056197542.db2.gz BZSAMJHBICTFRA-UKRRQHHQSA-N 1 3 323.550 4.132 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)C1CCC(C(F)(F)F)CC1 ZINC000474814177 1056358595 /nfs/dbraw/zinc/35/85/95/1056358595.db2.gz BOLAARKYGKYATL-CHQKBHSXSA-N 1 3 320.443 4.206 20 0 DIADHO Cc1ccccc1[C@H](CC(C)C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000675752419 1057407107 /nfs/dbraw/zinc/40/71/07/1057407107.db2.gz SGWNKSIGJIFGTR-HBFSDRIKSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccccc1[C@H](CC(C)C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675752419 1057407111 /nfs/dbraw/zinc/40/71/11/1057407111.db2.gz SGWNKSIGJIFGTR-HBFSDRIKSA-N 1 3 300.490 4.299 20 0 DIADHO C[NH2+]Cc1cccc(-c2ccc(F)c(CN3CCCCC3)c2)c1 ZINC001242998960 1057540828 /nfs/dbraw/zinc/54/08/28/1057540828.db2.gz BBDMXPJEZQQGKQ-UHFFFAOYSA-N 1 3 312.432 4.198 20 0 DIADHO CC[NH+](CC)Cc1ccccc1-c1ccc2c(N)ccnc2c1 ZINC001243336281 1057650562 /nfs/dbraw/zinc/65/05/62/1057650562.db2.gz NZZBWRHIOLSOOW-UHFFFAOYSA-N 1 3 305.425 4.326 20 0 DIADHO c1cc(N2CCCCC2)cc(-c2ccc(C3CC[NH2+]CC3)cc2)n1 ZINC001245523359 1058198148 /nfs/dbraw/zinc/19/81/48/1058198148.db2.gz GKIZSCJPORQOBO-UHFFFAOYSA-N 1 3 321.468 4.206 20 0 DIADHO CC[C@@H]1C[C@H](NCCc2ccc(-c3ccccc3)cc2)CC[NH2+]1 ZINC001246163358 1058706084 /nfs/dbraw/zinc/70/60/84/1058706084.db2.gz MKZVFHQFRZZXJR-NHCUHLMSSA-N 1 3 308.469 4.016 20 0 DIADHO CC[C@@H]1C[C@H]([NH2+]CCc2ccc(-c3ccccc3)cc2)CCN1 ZINC001246163358 1058706105 /nfs/dbraw/zinc/70/61/05/1058706105.db2.gz MKZVFHQFRZZXJR-NHCUHLMSSA-N 1 3 308.469 4.016 20 0 DIADHO CC[C@@H]([NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246164187 1058710295 /nfs/dbraw/zinc/71/02/95/1058710295.db2.gz MNRBABVTBXPMIY-PCCBWWKXSA-N 1 3 308.469 4.091 20 0 DIADHO c1ccc(-c2ccc(CC[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4)cc2)cc1 ZINC001246165277 1058710477 /nfs/dbraw/zinc/71/04/77/1058710477.db2.gz ZTMVWJRKMKBWOE-KOUNCHBCSA-N 1 3 320.480 4.159 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+]C(C)(C)Cc2ccc(F)cc2)CCN1 ZINC001246173565 1058716185 /nfs/dbraw/zinc/71/61/85/1058716185.db2.gz UPBSBDBTDJRIRU-QZTJIDSGSA-N 1 3 306.469 4.047 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]C(C)(C)Cc2ccc(Cl)cc2)CCN1 ZINC001246177015 1058718298 /nfs/dbraw/zinc/71/82/98/1058718298.db2.gz BTONBSKWSHRMQM-SJORKVTESA-N 1 3 322.924 4.417 20 0 DIADHO CCCC[C@@H]1C[C@@H](NCCCOc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246175704 1058719784 /nfs/dbraw/zinc/71/97/84/1058719784.db2.gz FVJGHCSXDLGXTK-SJORKVTESA-N 1 3 324.896 4.009 20 0 DIADHO CC(C[NH2+][C@@H]1CCNC(C)(C)C1)(c1ccccc1)c1ccccc1 ZINC001246178035 1058721716 /nfs/dbraw/zinc/72/17/16/1058721716.db2.gz FEYCIIVBVBRZLU-HXUWFJFHSA-N 1 3 322.496 4.113 20 0 DIADHO CC[C@@H]1CC(NC2(c3ccccc3)CCCC2)C[C@@H](CC)[NH2+]1 ZINC001246178835 1058722106 /nfs/dbraw/zinc/72/21/06/1058722106.db2.gz KLEVAMDIPMOBRE-QZTJIDSGSA-N 1 3 300.490 4.355 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H](NC2(c3ccccc3)CCCC2)CC[NH2+]1 ZINC001246179430 1058722475 /nfs/dbraw/zinc/72/24/75/1058722475.db2.gz NDKOILFBSJKBPC-ZWKOTPCHSA-N 1 3 300.490 4.212 20 0 DIADHO CC[C@H]1CC(NC2(c3ccccc3)CCCC2)C[C@H](CC)[NH2+]1 ZINC001246178839 1058724116 /nfs/dbraw/zinc/72/41/16/1058724116.db2.gz KLEVAMDIPMOBRE-ROUUACIJSA-N 1 3 300.490 4.355 20 0 DIADHO CC[C@H](N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC001246179778 1058728429 /nfs/dbraw/zinc/72/84/29/1058728429.db2.gz RRWXPZVBKIYNPQ-HSALFYBXSA-N 1 3 312.432 4.360 20 0 DIADHO Cc1cc(C)c(C[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)c(C)c1 ZINC001246186373 1058729183 /nfs/dbraw/zinc/72/91/83/1058729183.db2.gz ZOCAUTCSEVHYJT-SFTDATJTSA-N 1 3 322.496 4.065 20 0 DIADHO CC(C)(Cc1ccc2ccccc2c1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246190141 1058732129 /nfs/dbraw/zinc/73/21/29/1058732129.db2.gz AWMIKNRIPNKNLV-AERCQKQUSA-N 1 3 322.496 4.424 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)N[C@]1(C)CCC[NH2+]C1 ZINC001246190763 1058734887 /nfs/dbraw/zinc/73/48/87/1058734887.db2.gz SEWUUSPNKPRLEO-XMSQKQJNSA-N 1 3 322.496 4.329 20 0 DIADHO CC[C@@H]1C[C@H]([NH2+]C(C)(C)Cc2ccc3ccccc3c2)CCN1 ZINC001246191610 1058735373 /nfs/dbraw/zinc/73/53/73/1058735373.db2.gz OORBGZGZVVCROB-WOJBJXKFSA-N 1 3 310.485 4.281 20 0 DIADHO CC(C)[C@H]1C[C@@H](NC2(c3ccccc3)CCCCC2)CC[NH2+]1 ZINC001246226816 1058749744 /nfs/dbraw/zinc/74/97/44/1058749744.db2.gz BWKBHARNWHDRQG-RBUKOAKNSA-N 1 3 300.490 4.212 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H](NCCc2ccc3ccccc3c2)CC[NH2+]1 ZINC001246231728 1058757927 /nfs/dbraw/zinc/75/79/27/1058757927.db2.gz DPFLEGZNJNIRJF-UXHICEINSA-N 1 3 310.485 4.139 20 0 DIADHO CC(C)[C@@H](N[C@H]1CC[NH2+]C2(CCCCC2)C1)c1ccccc1 ZINC001246239563 1058759677 /nfs/dbraw/zinc/75/96/77/1058759677.db2.gz OGFWWJUSIMNBMD-RBUKOAKNSA-N 1 3 300.490 4.428 20 0 DIADHO Cc1ccc(C(C)(C)[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246237871 1058761859 /nfs/dbraw/zinc/76/18/59/1058761859.db2.gz JICAEOXYRHKQHT-RTWAWAEBSA-N 1 3 322.496 4.183 20 0 DIADHO CC[C@@H](N[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1cccc(C)c1 ZINC001246268292 1058785478 /nfs/dbraw/zinc/78/54/78/1058785478.db2.gz OUFMBQOUCIQXRP-YPAWHYETSA-N 1 3 322.496 4.399 20 0 DIADHO CC[C@@H]([NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1)c1cccc(C)c1 ZINC001246268292 1058785495 /nfs/dbraw/zinc/78/54/95/1058785495.db2.gz OUFMBQOUCIQXRP-YPAWHYETSA-N 1 3 322.496 4.399 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccc(Cl)cc2)CCN1 ZINC001246273626 1058787641 /nfs/dbraw/zinc/78/76/41/1058787641.db2.gz QONLBDZXJFEDAN-QGTPRVQTSA-N 1 3 308.897 4.171 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CCN1 ZINC001246277854 1058794970 /nfs/dbraw/zinc/79/49/70/1058794970.db2.gz BOTFBSMXMJGLGA-CKUJCDMFSA-N 1 3 320.443 4.256 20 0 DIADHO CC(C)(C)[C@H]1C[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CCN1 ZINC001246280351 1058795445 /nfs/dbraw/zinc/79/54/45/1058795445.db2.gz TXVOQOHQJAOAMA-NEXFUWMNSA-N 1 3 320.443 4.111 20 0 DIADHO CC[C@@H]1CC(N[C@H](c2ccccc2)C2CCC2)C[C@@H](CC)[NH2+]1 ZINC001246286959 1058801897 /nfs/dbraw/zinc/80/18/97/1058801897.db2.gz IWZZMRXNSKHALX-QWFCFKBJSA-N 1 3 300.490 4.427 20 0 DIADHO CC[C@@H]1C[C@@H](N[C@@H](c2ccccc2)C2CCC2)C[C@H](CC)[NH2+]1 ZINC001246286960 1058803005 /nfs/dbraw/zinc/80/30/05/1058803005.db2.gz IWZZMRXNSKHALX-YRPNKDGESA-N 1 3 300.490 4.427 20 0 DIADHO Cc1ccc([C@H](C)[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1C ZINC001246308729 1058816373 /nfs/dbraw/zinc/81/63/73/1058816373.db2.gz RWNGZAIDWDFEDQ-NYVOZVTQSA-N 1 3 322.496 4.317 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc3C2)CCN1 ZINC001246311875 1058818769 /nfs/dbraw/zinc/81/87/69/1058818769.db2.gz UTQDONAUHAFNPC-QYZOEREBSA-N 1 3 320.908 4.098 20 0 DIADHO CCCC[C@@H]1C[C@@H](NC(C)(C)Cc2ccccc2F)CC[NH2+]1 ZINC001246311779 1058821034 /nfs/dbraw/zinc/82/10/34/1058821034.db2.gz SUGXKGJIXWJNCA-SJORKVTESA-N 1 3 306.469 4.047 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc3C2)CCN1 ZINC001246311871 1058822389 /nfs/dbraw/zinc/82/23/89/1058822389.db2.gz UTQDONAUHAFNPC-CEXWTWQISA-N 1 3 320.908 4.098 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)N[C@@H]1C[NH2+]CCC1(C)C ZINC001246324788 1058835547 /nfs/dbraw/zinc/83/55/47/1058835547.db2.gz GKLKUECVLRALBR-GDBMZVCRSA-N 1 3 324.534 4.048 20 0 DIADHO CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246326522 1058837638 /nfs/dbraw/zinc/83/76/38/1058837638.db2.gz PTYCUMIMYIOEMN-UGFHNGPFSA-N 1 3 315.288 4.045 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)N[C@H]1C[NH2+]CC[C@@H]1C ZINC001246334068 1058842430 /nfs/dbraw/zinc/84/24/30/1058842430.db2.gz XYBUIWYEHOGWSK-SPEDKVCISA-N 1 3 322.496 4.185 20 0 DIADHO c1ccc(CC2CCC([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4)CC2)cc1 ZINC001246333474 1058844681 /nfs/dbraw/zinc/84/46/81/1058844681.db2.gz QVFCBNCWQOLYJH-HNZUOSPBSA-N 1 3 312.501 4.051 20 0 DIADHO CCCCC[C@H](CCC)[NH2+]C[C@H]1CCN[C@H]1c1cccnc1 ZINC001246342134 1058851390 /nfs/dbraw/zinc/85/13/90/1058851390.db2.gz QZNINYGGHODENR-QYZOEREBSA-N 1 3 303.494 4.071 20 0 DIADHO CCCC[C@@H]1C[C@@H](NCCc2ccc(C(C)C)cc2)CC[NH2+]1 ZINC001246343612 1058852237 /nfs/dbraw/zinc/85/22/37/1058852237.db2.gz NJZZBSDYAWOLOS-UXHICEINSA-N 1 3 302.506 4.253 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+]CCc2ccc(C(C)C)cc2)CCN1 ZINC001246343612 1058852255 /nfs/dbraw/zinc/85/22/55/1058852255.db2.gz NJZZBSDYAWOLOS-UXHICEINSA-N 1 3 302.506 4.253 20 0 DIADHO CC[C@H]1CC(NCCc2ccc(C(C)C)cc2)C[C@H](CC)[NH2+]1 ZINC001246342100 1058853276 /nfs/dbraw/zinc/85/32/76/1058853276.db2.gz FQIIAKXOKFYKMP-OALUTQOASA-N 1 3 302.506 4.251 20 0 DIADHO CC(C)c1ccc(CCN[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1 ZINC001246345126 1058856310 /nfs/dbraw/zinc/85/63/10/1058856310.db2.gz UUYRVTMQTVDBHA-OALUTQOASA-N 1 3 302.506 4.109 20 0 DIADHO CC(C)CC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3)CCC(F)(F)CC1 ZINC001246364348 1058869781 /nfs/dbraw/zinc/86/97/81/1058869781.db2.gz BBBIVXQITVROHF-MUJYYYPQSA-N 1 3 314.464 4.243 20 0 DIADHO CC(C)CC1([NH2+][C@@H]2C[C@@H](C)N[C@@H](C)C2)CCC(F)(F)CC1 ZINC001246368468 1058873455 /nfs/dbraw/zinc/87/34/55/1058873455.db2.gz OCOYYIDOIZSDDZ-QDMKHBRRSA-N 1 3 302.453 4.099 20 0 DIADHO CC(C)CC1([NH2+]C2C[C@H](C)N[C@@H](C)C2)CCC(F)(F)CC1 ZINC001246368463 1058874755 /nfs/dbraw/zinc/87/47/55/1058874755.db2.gz OCOYYIDOIZSDDZ-KBPBESRZSA-N 1 3 302.453 4.099 20 0 DIADHO CCCCCC[C@@H](CC)[NH2+]C1(Cc2ccccn2)CCNCC1 ZINC001246372348 1058878634 /nfs/dbraw/zinc/87/86/34/1058878634.db2.gz QVOSLRYCXGWTJF-GOSISDBHSA-N 1 3 317.521 4.085 20 0 DIADHO CC[C@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)C1 ZINC001246379657 1058882984 /nfs/dbraw/zinc/88/29/84/1058882984.db2.gz ACYJFMYEMFQVEY-DOTOQJQBSA-N 1 3 320.908 4.173 20 0 DIADHO CCC[C@H](CCc1ccccc1)[NH2+]C1(CC2CC2)CCNCC1 ZINC001246380981 1058884763 /nfs/dbraw/zinc/88/47/63/1058884763.db2.gz LVQYOAFOCBVGPV-HXUWFJFHSA-N 1 3 314.517 4.300 20 0 DIADHO C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3Cl)CCNCC2)C[C@H]1C ZINC001246378887 1058885137 /nfs/dbraw/zinc/88/51/37/1058885137.db2.gz VEWZDUMVMZRVMI-OAGGEKHMSA-N 1 3 320.908 4.333 20 0 DIADHO CC1(C)CC[C@@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)C1 ZINC001246385787 1058886604 /nfs/dbraw/zinc/88/66/04/1058886604.db2.gz DZMIYHVDMAEIET-QGZVFWFLSA-N 1 3 320.908 4.173 20 0 DIADHO CC(C)[C@@H]1C[C@@H](NCC2(Cc3ccccc3Cl)CC2)CC[NH2+]1 ZINC001246385174 1058886760 /nfs/dbraw/zinc/88/67/60/1058886760.db2.gz SIMXFUJECYYIMX-WMZOPIPTSA-N 1 3 320.908 4.029 20 0 DIADHO CC[C@@H](C)C[C@@H](CC)NC1(c2ccc(OC)cc2)CC[NH2+]CC1 ZINC001246381347 1058887448 /nfs/dbraw/zinc/88/74/48/1058887448.db2.gz PRMUBLKBVIHNAQ-SJLPKXTDSA-N 1 3 318.505 4.078 20 0 DIADHO c1ccc([C@@H]2CCC[C@H]([NH2+]C3(CC4CC4)CCNCC3)C2)cc1 ZINC001246382690 1058887859 /nfs/dbraw/zinc/88/78/59/1058887859.db2.gz ZMLKZRODOPYPBQ-UXHICEINSA-N 1 3 312.501 4.225 20 0 DIADHO CC[C@H](CC(C)C)[NH2+]C1(Cc2ccccc2Cl)CCNCC1 ZINC001246381868 1058889084 /nfs/dbraw/zinc/88/90/84/1058889084.db2.gz SVXBKDSPPKWWJY-QGZVFWFLSA-N 1 3 322.924 4.419 20 0 DIADHO CCCCC[C@@H](CC)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246389384 1058891993 /nfs/dbraw/zinc/89/19/93/1058891993.db2.gz HCBGJUVKPCCPIZ-LJQANCHMSA-N 1 3 320.496 4.439 20 0 DIADHO CC[C@@H](C)C[C@H](CC)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246387667 1058892461 /nfs/dbraw/zinc/89/24/61/1058892461.db2.gz BVMKKQREIKOXRK-APWZRJJASA-N 1 3 320.496 4.295 20 0 DIADHO CCCCCC(CCCCC)[NH2+]C1(CCOC)CCNCC1 ZINC001246388834 1058893237 /nfs/dbraw/zinc/89/32/37/1058893237.db2.gz HEKOYRUURLHKIV-UHFFFAOYSA-N 1 3 312.542 4.264 20 0 DIADHO CCCCCC[C@H](CCCC)[NH2+]C1(CCOC)CCNCC1 ZINC001246391508 1058895806 /nfs/dbraw/zinc/89/58/06/1058895806.db2.gz NFQPBEMVQUADFC-SFHVURJKSA-N 1 3 312.542 4.264 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)CCN1 ZINC001246391623 1058896807 /nfs/dbraw/zinc/89/68/07/1058896807.db2.gz NYPSRKYYCMFAQI-OALUTQOASA-N 1 3 318.480 4.191 20 0 DIADHO CCCC[C@H](CC)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246392324 1058897694 /nfs/dbraw/zinc/89/76/94/1058897694.db2.gz RUBAHKNFQMCODH-SFHVURJKSA-N 1 3 306.469 4.049 20 0 DIADHO CCCCCC[C@@H](CCCC)[NH2+]C1(CCOC)CCNCC1 ZINC001246391504 1058898209 /nfs/dbraw/zinc/89/82/09/1058898209.db2.gz NFQPBEMVQUADFC-GOSISDBHSA-N 1 3 312.542 4.264 20 0 DIADHO CCC[C@@H](CC)[NH2+]C1(Cc2ccccc2Cl)CCNCC1 ZINC001246391452 1058898265 /nfs/dbraw/zinc/89/82/65/1058898265.db2.gz MTCNCSRMNOBRHQ-MRXNPFEDSA-N 1 3 308.897 4.173 20 0 DIADHO Fc1cccc([C@H](N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C2CC2)c1 ZINC001246399168 1058901950 /nfs/dbraw/zinc/90/19/50/1058901950.db2.gz GGOXSOXUGMTYQS-PWRODBHTSA-N 1 3 324.443 4.360 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+]C(C)(C)Cc2cccc(F)c2)CCN1 ZINC001246412640 1058915507 /nfs/dbraw/zinc/91/55/07/1058915507.db2.gz UCEZPZQVROUMDL-QZTJIDSGSA-N 1 3 306.469 4.047 20 0 DIADHO Cc1cccc(C2(N[C@@H]3CC[NH2+][C@H](c4ccccc4)C3)CCC2)c1 ZINC001246415016 1058918200 /nfs/dbraw/zinc/91/82/00/1058918200.db2.gz WZEPSVIKDJIOSY-RTWAWAEBSA-N 1 3 320.480 4.457 20 0 DIADHO C[C@H]1CCC[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)C1 ZINC001246426475 1058922514 /nfs/dbraw/zinc/92/25/14/1058922514.db2.gz BRDIFZJNEVOQKR-MAUKXSAKSA-N 1 3 320.908 4.173 20 0 DIADHO Clc1cccc(CC2([NH2+]C3CCCCCC3)CCNCC2)c1 ZINC001246426428 1058923137 /nfs/dbraw/zinc/92/31/37/1058923137.db2.gz AVPSJJWCZBEQHC-UHFFFAOYSA-N 1 3 320.908 4.317 20 0 DIADHO C[C@@H]1CC(NC2(c3cccc(Cl)c3)CC[NH2+]CC2)C[C@@H](C)C1 ZINC001246430870 1058924818 /nfs/dbraw/zinc/92/48/18/1058924818.db2.gz QGVNSLLIFIJKAP-GJZGRUSLSA-N 1 3 320.908 4.333 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC(C)(C)Cc2ccc(F)cc2)CCN1 ZINC001246430621 1058924993 /nfs/dbraw/zinc/92/49/93/1058924993.db2.gz GGJMJXRECPUYOZ-ROUUACIJSA-N 1 3 320.496 4.151 20 0 DIADHO CCCC(CCC)NC1(c2cccc(Cl)c2)CC[NH2+]CC1 ZINC001246432678 1058925494 /nfs/dbraw/zinc/92/54/94/1058925494.db2.gz ZVYORMOCZQMUDW-UHFFFAOYSA-N 1 3 308.897 4.477 20 0 DIADHO CCC[C@@H](C)CC[C@H](C)NC1(c2ccccc2)CC[NH2+]CC1 ZINC001246433179 1058926136 /nfs/dbraw/zinc/92/61/36/1058926136.db2.gz ZBWHTKSKWJPMBL-MSOLQXFVSA-N 1 3 302.506 4.460 20 0 DIADHO CCC[C@@H](C)CC[C@@H](C)NC1(c2ccccc2)CC[NH2+]CC1 ZINC001246433181 1058926310 /nfs/dbraw/zinc/92/63/10/1058926310.db2.gz ZBWHTKSKWJPMBL-QZTJIDSGSA-N 1 3 302.506 4.460 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]CC(C)(C)Cc2ccc(F)cc2)CCN1 ZINC001246430622 1058927151 /nfs/dbraw/zinc/92/71/51/1058927151.db2.gz GGJMJXRECPUYOZ-ZWKOTPCHSA-N 1 3 320.496 4.151 20 0 DIADHO C[C@H]1C[C@@H](NC2(c3cccc(F)c3)CC[NH2+]CC2)CC(C)(C)C1 ZINC001246439094 1058930981 /nfs/dbraw/zinc/93/09/81/1058930981.db2.gz TUVRFHODWYEVRF-MAUKXSAKSA-N 1 3 318.480 4.209 20 0 DIADHO CC(C)=CCC[C@H](C)[NH2+]C1(c2ccccc2F)CCNCC1 ZINC001246439546 1058935022 /nfs/dbraw/zinc/93/50/22/1058935022.db2.gz YVYQNKLKCPVFHM-INIZCTEOSA-N 1 3 304.453 4.129 20 0 DIADHO CC[C@@H]1C[C@@H](NCC2(Cc3ccccc3F)CC2)C[C@H](CC)[NH2+]1 ZINC001246440415 1058935210 /nfs/dbraw/zinc/93/52/10/1058935210.db2.gz SXBBXWPISWEBLQ-BCDXTJNWSA-N 1 3 318.480 4.047 20 0 DIADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1(CC2CCC2)CCNCC1 ZINC001246450042 1058936479 /nfs/dbraw/zinc/93/64/79/1058936479.db2.gz ZLWXYUQPAMNJBD-HNNXBMFYSA-N 1 3 320.908 4.173 20 0 DIADHO CC(C)C[C@@H](C)C[C@H](C)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246457392 1058944236 /nfs/dbraw/zinc/94/42/36/1058944236.db2.gz KQFFGZPDXSYONB-MOPGFXCFSA-N 1 3 316.533 4.402 20 0 DIADHO CCCCC[C@@H](CC)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246460038 1058945632 /nfs/dbraw/zinc/94/56/32/1058945632.db2.gz LORVWAPEOYWBNA-LJQANCHMSA-N 1 3 320.496 4.439 20 0 DIADHO CC1(C)CCC([NH2+]C2(Cc3cccc(F)c3)CCNCC2)CC1 ZINC001246467757 1058952704 /nfs/dbraw/zinc/95/27/04/1058952704.db2.gz STPBBJZQTAARSE-UHFFFAOYSA-N 1 3 318.480 4.049 20 0 DIADHO CCCCCC[C@H](C)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246470884 1058956114 /nfs/dbraw/zinc/95/61/14/1058956114.db2.gz YPQMAHXFYYOQJQ-KRWDZBQOSA-N 1 3 320.496 4.439 20 0 DIADHO CC[C@@H]1C[C@@H](N[C@H]2CCCCc3ccccc32)C[C@H](CC)[NH2+]1 ZINC001246496555 1058971327 /nfs/dbraw/zinc/97/13/27/1058971327.db2.gz JRXVUWRWFIUYPD-DMUMMCEESA-N 1 3 300.490 4.353 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246508008 1058977873 /nfs/dbraw/zinc/97/78/73/1058977873.db2.gz CKICVOLRAFZWLV-WCIQWLHISA-N 1 3 314.517 4.469 20 0 DIADHO Clc1ccc([C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3)C2CC2)cc1 ZINC001246516962 1058981740 /nfs/dbraw/zinc/98/17/40/1058981740.db2.gz XFXXFRORPBHWFY-FCGDIQPGSA-N 1 3 318.892 4.096 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)CCN1 ZINC001246521110 1058983570 /nfs/dbraw/zinc/98/35/70/1058983570.db2.gz WJDHLDWHTQQVRE-PMACEKPBSA-N 1 3 314.517 4.108 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)CCN1 ZINC001246518439 1058984288 /nfs/dbraw/zinc/98/42/88/1058984288.db2.gz GAULFTCJNRGLBM-NHCUHLMSSA-N 1 3 314.517 4.252 20 0 DIADHO CCCC[C@@H]1C[C@H](N2CCC(Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246518439 1058984305 /nfs/dbraw/zinc/98/43/05/1058984305.db2.gz GAULFTCJNRGLBM-NHCUHLMSSA-N 1 3 314.517 4.252 20 0 DIADHO CC[C@@H]1C[C@H]([NH+]2CCC(CCCc3ccccc3)CC2)CCN1 ZINC001246536410 1058989274 /nfs/dbraw/zinc/98/92/74/1058989274.db2.gz PLBIUQGLNMQDFT-NHCUHLMSSA-N 1 3 314.517 4.252 20 0 DIADHO Cc1cccc([C@@H]2CCC[N@H+]2[C@H]2CCN[C@H](C(C)(C)C)C2)c1 ZINC001246536448 1058990479 /nfs/dbraw/zinc/99/04/79/1058990479.db2.gz FNWJYVWOHAYTLA-FHWLQOOXSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1cccc([C@@H]2CCC[N@@H+]2[C@H]2CCN[C@H](C(C)(C)C)C2)c1 ZINC001246536448 1058990456 /nfs/dbraw/zinc/99/04/56/1058990456.db2.gz FNWJYVWOHAYTLA-FHWLQOOXSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1cccc([C@@H]2CCC[N@@H+]2[C@@H]2CCN[C@@H](C(C)(C)C)C2)c1 ZINC001246536447 1058990771 /nfs/dbraw/zinc/99/07/71/1058990771.db2.gz FNWJYVWOHAYTLA-CEXWTWQISA-N 1 3 300.490 4.299 20 0 DIADHO Cc1cccc([C@@H]2CCC[N@H+]2[C@@H]2CCN[C@@H](C(C)(C)C)C2)c1 ZINC001246536447 1058990797 /nfs/dbraw/zinc/99/07/97/1058990797.db2.gz FNWJYVWOHAYTLA-CEXWTWQISA-N 1 3 300.490 4.299 20 0 DIADHO NC[C@@H]1CCCC[N@@H+](C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001246583263 1059011104 /nfs/dbraw/zinc/01/11/04/1059011104.db2.gz QGPNOKOOGZOTDN-DMKPSLHHSA-N 1 3 320.908 4.427 20 0 DIADHO NC[C@@H]1CCCC[N@H+](C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001246583263 1059011122 /nfs/dbraw/zinc/01/11/22/1059011122.db2.gz QGPNOKOOGZOTDN-DMKPSLHHSA-N 1 3 320.908 4.427 20 0 DIADHO CC[C@H]1C[C@H]([N@H+](Cc2ccccc2)C2CCCCC2)CCN1 ZINC001246593165 1059017446 /nfs/dbraw/zinc/01/74/46/1059017446.db2.gz ANBSTMMBMDYRJV-AZUAARDMSA-N 1 3 300.490 4.352 20 0 DIADHO CC[C@H]1C[C@H]([N@@H+](Cc2ccccc2)C2CCCCC2)CCN1 ZINC001246593165 1059017464 /nfs/dbraw/zinc/01/74/64/1059017464.db2.gz ANBSTMMBMDYRJV-AZUAARDMSA-N 1 3 300.490 4.352 20 0 DIADHO C[C@H]1CC([NH+]2CCC(c3cccc(Cl)c3)CC2)C[C@H](C)N1 ZINC001246592829 1059019038 /nfs/dbraw/zinc/01/90/38/1059019038.db2.gz HGTAUZDOHZEGLI-KBPBESRZSA-N 1 3 306.881 4.048 20 0 DIADHO C[C@H]1CC(N2CCC(c3cccc(Cl)c3)CC2)C[C@H](C)[NH2+]1 ZINC001246592829 1059019059 /nfs/dbraw/zinc/01/90/59/1059019059.db2.gz HGTAUZDOHZEGLI-KBPBESRZSA-N 1 3 306.881 4.048 20 0 DIADHO CC(C)[N@H+]([C@@H]1CCc2c(Cl)cccc2C1)[C@H]1CCCNCC1 ZINC001246593427 1059019143 /nfs/dbraw/zinc/01/91/43/1059019143.db2.gz MZJMOLHYMAEEOU-DLBZAZTESA-N 1 3 320.908 4.050 20 0 DIADHO CC(C)[N@@H+]([C@@H]1CCc2c(Cl)cccc2C1)[C@H]1CCCNCC1 ZINC001246593427 1059019165 /nfs/dbraw/zinc/01/91/65/1059019165.db2.gz MZJMOLHYMAEEOU-DLBZAZTESA-N 1 3 320.908 4.050 20 0 DIADHO C[C@@H]1CC[C@H](CN)C[N@@H+]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246589422 1059020221 /nfs/dbraw/zinc/02/02/21/1059020221.db2.gz DZTDEQNLCQOXTJ-SSSCAMEASA-N 1 3 320.908 4.425 20 0 DIADHO C[C@@H]1CC[C@H](CN)C[N@H+]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246589422 1059020239 /nfs/dbraw/zinc/02/02/39/1059020239.db2.gz DZTDEQNLCQOXTJ-SSSCAMEASA-N 1 3 320.908 4.425 20 0 DIADHO C[C@@H]1C[C@@H]([NH+]2CCC(c3ccc(Cl)cc3)CC2)C[C@H](C)N1 ZINC001246605884 1059021577 /nfs/dbraw/zinc/02/15/77/1059021577.db2.gz XWQCIOYIZILLRX-ZSBFGKGUSA-N 1 3 306.881 4.048 20 0 DIADHO C[C@@H]1C[C@@H](N2CCC(c3ccc(Cl)cc3)CC2)C[C@H](C)[NH2+]1 ZINC001246605884 1059021594 /nfs/dbraw/zinc/02/15/94/1059021594.db2.gz XWQCIOYIZILLRX-ZSBFGKGUSA-N 1 3 306.881 4.048 20 0 DIADHO CCCC[C@H](Cc1ccccc1)N1CCC2(CCCC[NH2+]2)CC1 ZINC001246607401 1059021759 /nfs/dbraw/zinc/02/17/59/1059021759.db2.gz DLADQFPRFIIYPH-HXUWFJFHSA-N 1 3 314.517 4.396 20 0 DIADHO CC1(C)C[C@@H]([NH+]2CCC(c3ccc(Cl)cc3)CC2)CCN1 ZINC001246601161 1059023450 /nfs/dbraw/zinc/02/34/50/1059023450.db2.gz MQLWRUDENILVSF-KRWDZBQOSA-N 1 3 306.881 4.050 20 0 DIADHO CC1(C)C[C@@H](N2CCC(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246601161 1059023470 /nfs/dbraw/zinc/02/34/70/1059023470.db2.gz MQLWRUDENILVSF-KRWDZBQOSA-N 1 3 306.881 4.050 20 0 DIADHO CCC[C@H](CCc1ccccc1)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246609742 1059026166 /nfs/dbraw/zinc/02/61/66/1059026166.db2.gz MZOYVXZIVFOBGE-WOJBJXKFSA-N 1 3 300.490 4.006 20 0 DIADHO CCC[C@H](CCc1ccccc1)[N@H+]1CCC[C@@]12CCCNC2 ZINC001246609742 1059026189 /nfs/dbraw/zinc/02/61/89/1059026189.db2.gz MZOYVXZIVFOBGE-WOJBJXKFSA-N 1 3 300.490 4.006 20 0 DIADHO CCC[C@@H](Cc1ccccc1)N1CCC2(CCCC[NH2+]2)CC1 ZINC001246612501 1059027839 /nfs/dbraw/zinc/02/78/39/1059027839.db2.gz QRGYTAYPRGVDNW-IBGZPJMESA-N 1 3 300.490 4.006 20 0 DIADHO c1ccc2c(c1)CCC21CCC([N@H+]2CCC[C@@]23CCCNC3)CC1 ZINC001246611484 1059029641 /nfs/dbraw/zinc/02/96/41/1059029641.db2.gz UCIKALQCPYVABH-KITAHSCOSA-N 1 3 324.512 4.031 20 0 DIADHO c1ccc2c(c1)CCC21CCC([N@@H+]2CCC[C@@]23CCCNC3)CC1 ZINC001246611484 1059029662 /nfs/dbraw/zinc/02/96/62/1059029662.db2.gz UCIKALQCPYVABH-KITAHSCOSA-N 1 3 324.512 4.031 20 0 DIADHO c1ccc2c(c1)CCC21CCC(N2CCC[C@@]23CCC[NH2+]C3)CC1 ZINC001246611484 1059029685 /nfs/dbraw/zinc/02/96/85/1059029685.db2.gz UCIKALQCPYVABH-KITAHSCOSA-N 1 3 324.512 4.031 20 0 DIADHO CCC[C@H](CCc1ccccc1)[N@@H+]1CCCCC12CCNCC2 ZINC001246645434 1059048748 /nfs/dbraw/zinc/04/87/48/1059048748.db2.gz AKOJMUPDFJCSFH-HXUWFJFHSA-N 1 3 314.517 4.396 20 0 DIADHO CCC[C@H](CCc1ccccc1)[N@H+]1CCCCC12CCNCC2 ZINC001246645434 1059048768 /nfs/dbraw/zinc/04/87/68/1059048768.db2.gz AKOJMUPDFJCSFH-HXUWFJFHSA-N 1 3 314.517 4.396 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[N@@H+]1CCCCC12CCNCC2 ZINC001246645514 1059051373 /nfs/dbraw/zinc/05/13/73/1059051373.db2.gz BWXOPVVADWRXGG-HXUWFJFHSA-N 1 3 314.517 4.396 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[N@H+]1CCCCC12CCNCC2 ZINC001246645514 1059051396 /nfs/dbraw/zinc/05/13/96/1059051396.db2.gz BWXOPVVADWRXGG-HXUWFJFHSA-N 1 3 314.517 4.396 20 0 DIADHO CC(C)CC[C@H](C)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246675156 1059056859 /nfs/dbraw/zinc/05/68/59/1059056859.db2.gz WHBXALSBHSFGON-JBACZVJFSA-N 1 3 314.517 4.064 20 0 DIADHO CC(C)CC[C@H](C)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246675156 1059056882 /nfs/dbraw/zinc/05/68/82/1059056882.db2.gz WHBXALSBHSFGON-JBACZVJFSA-N 1 3 314.517 4.064 20 0 DIADHO CCCCC[C@H](C)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246672544 1059057515 /nfs/dbraw/zinc/05/75/15/1059057515.db2.gz LYEWVJBPLBCQJP-JBACZVJFSA-N 1 3 314.517 4.208 20 0 DIADHO CCCCC[C@H](C)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246672544 1059057537 /nfs/dbraw/zinc/05/75/37/1059057537.db2.gz LYEWVJBPLBCQJP-JBACZVJFSA-N 1 3 314.517 4.208 20 0 DIADHO c1ccc([C@H]2C[NH2+]C[C@]23CCCN3C2CCCCCCC2)cc1 ZINC001246674940 1059057876 /nfs/dbraw/zinc/05/78/76/1059057876.db2.gz PDJJIFZNWLCVOP-NHCUHLMSSA-N 1 3 312.501 4.321 20 0 DIADHO CC[C@@H]1C[C@H]([N@H+](C)C23CC4CC(CC(C4)C2)C3)C[C@H](CC)N1 ZINC001246781648 1059077296 /nfs/dbraw/zinc/07/72/96/1059077296.db2.gz IBYVVDCUDLJZEK-GUETVOQPSA-N 1 3 304.522 4.196 20 0 DIADHO CC[C@@H]1C[C@H]([N@@H+](C)C23CC4CC(CC(C4)C2)C3)C[C@H](CC)N1 ZINC001246781648 1059077315 /nfs/dbraw/zinc/07/73/15/1059077315.db2.gz IBYVVDCUDLJZEK-GUETVOQPSA-N 1 3 304.522 4.196 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H](CN)C1 ZINC001246779443 1059082356 /nfs/dbraw/zinc/08/23/56/1059082356.db2.gz GYAWZHONPAFBCA-RBUKOAKNSA-N 1 3 322.496 4.268 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H](CN)C1 ZINC001246779443 1059082374 /nfs/dbraw/zinc/08/23/74/1059082374.db2.gz GYAWZHONPAFBCA-RBUKOAKNSA-N 1 3 322.496 4.268 20 0 DIADHO CC[C@H]1CC([N@H+](C)C23CC4CC(CC(C4)C2)C3)C[C@H](CC)N1 ZINC001246781657 1059082478 /nfs/dbraw/zinc/08/24/78/1059082478.db2.gz IBYVVDCUDLJZEK-XOUIXPDISA-N 1 3 304.522 4.196 20 0 DIADHO CC[C@H]1CC([N@@H+](C)C23CC4CC(CC(C4)C2)C3)C[C@H](CC)N1 ZINC001246781657 1059082500 /nfs/dbraw/zinc/08/25/00/1059082500.db2.gz IBYVVDCUDLJZEK-XOUIXPDISA-N 1 3 304.522 4.196 20 0 DIADHO C[C@@H]1C[C@H]([NH+]2CCC(CCc3ccc(Cl)cc3)CC2)CCN1 ZINC001246788720 1059090881 /nfs/dbraw/zinc/09/08/81/1059090881.db2.gz IAFXNYNIXUESEZ-DNVCBOLYSA-N 1 3 320.908 4.125 20 0 DIADHO CC(C)(C)[C@H]1C[C@H](N2CCC(c3cccs3)CC2)CC[NH2+]1 ZINC001246788728 1059093782 /nfs/dbraw/zinc/09/37/82/1059093782.db2.gz IETRGQYXRFAREQ-NVXWUHKLSA-N 1 3 306.519 4.094 20 0 DIADHO CC[C@@H]1CC(N2CCC[C@@H]2c2ccccc2OC)C[C@@H](CC)[NH2+]1 ZINC001246792524 1059097698 /nfs/dbraw/zinc/09/76/98/1059097698.db2.gz QLXBIEUVPPTQFA-GPMSIDNRSA-N 1 3 316.489 4.141 20 0 DIADHO C[C@@H]1C[C@@H]([NH+]2CCC(c3ccc4ccccc4c3)CC2)CCN1 ZINC001246794482 1059097745 /nfs/dbraw/zinc/09/77/45/1059097745.db2.gz ZYKVMETVZZDJJD-IERDGZPVSA-N 1 3 308.469 4.160 20 0 DIADHO C[C@@H]1C[C@@H](N2CCC(c3ccc4ccccc4c3)CC2)CC[NH2+]1 ZINC001246794482 1059097764 /nfs/dbraw/zinc/09/77/64/1059097764.db2.gz ZYKVMETVZZDJJD-IERDGZPVSA-N 1 3 308.469 4.160 20 0 DIADHO Fc1cccc([C@@H]2CCCN2[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246801188 1059101160 /nfs/dbraw/zinc/10/11/60/1059101160.db2.gz RYWNWEGPHVZHCC-NJYVYQBISA-N 1 3 324.443 4.456 20 0 DIADHO Fc1cccc([C@@H]2CCCN2[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246801185 1059101648 /nfs/dbraw/zinc/10/16/48/1059101648.db2.gz RYWNWEGPHVZHCC-HBMCJLEFSA-N 1 3 324.443 4.456 20 0 DIADHO C[C@@H]1C[C@@H](N2CCc3ccccc3[C@@H]2c2ccccc2)C[C@H](C)[NH2+]1 ZINC001246807598 1059103063 /nfs/dbraw/zinc/10/30/63/1059103063.db2.gz SLJQWJOHIJVMRZ-AXRVMRSRSA-N 1 3 320.480 4.163 20 0 DIADHO CC[C@H]1C[C@H](N(CCc2ccccc2)Cc2ccccc2)CC[NH2+]1 ZINC001246838895 1059120540 /nfs/dbraw/zinc/12/05/40/1059120540.db2.gz KDIGYYMCLXMUHC-FCHUYYIVSA-N 1 3 322.496 4.262 20 0 DIADHO CC[C@H]1C[C@H]([N@H+](CCc2ccccc2)Cc2ccccc2)CCN1 ZINC001246838895 1059120543 /nfs/dbraw/zinc/12/05/43/1059120543.db2.gz KDIGYYMCLXMUHC-FCHUYYIVSA-N 1 3 322.496 4.262 20 0 DIADHO CC[C@H]1C[C@H]([N@@H+](CCc2ccccc2)Cc2ccccc2)CCN1 ZINC001246838895 1059120547 /nfs/dbraw/zinc/12/05/47/1059120547.db2.gz KDIGYYMCLXMUHC-FCHUYYIVSA-N 1 3 322.496 4.262 20 0 DIADHO CCc1ccc(C[N@H+](C)[C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246844483 1059122903 /nfs/dbraw/zinc/12/29/03/1059122903.db2.gz JHESIGMZLVPPNS-FCHUYYIVSA-N 1 3 322.496 4.044 20 0 DIADHO CCc1ccc(C[N@@H+](C)[C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246844483 1059122914 /nfs/dbraw/zinc/12/29/14/1059122914.db2.gz JHESIGMZLVPPNS-FCHUYYIVSA-N 1 3 322.496 4.044 20 0 DIADHO Fc1ccc([C@@H]2CCN([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)cc1 ZINC001246848191 1059128879 /nfs/dbraw/zinc/12/88/79/1059128879.db2.gz MOWIVDNPIKGPMC-MJGOQNOKSA-N 1 3 316.464 4.070 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H](N2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246852138 1059133803 /nfs/dbraw/zinc/13/38/03/1059133803.db2.gz MVXCMQBINYJGBB-SZMVWBNQSA-N 1 3 320.908 4.296 20 0 DIADHO CC[C@H]1c2ccccc2CCN1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246863800 1059135684 /nfs/dbraw/zinc/13/56/84/1059135684.db2.gz GIUMMILGSHYJNG-QUCCMNQESA-N 1 3 312.501 4.451 20 0 DIADHO C1C[C@@H](C2CCCCC2)[N@@H+]([C@@H]2CCNC3(CCCCC3)C2)C1 ZINC001246867481 1059142276 /nfs/dbraw/zinc/14/22/76/1059142276.db2.gz XYQGUUWGYUOTOR-MOPGFXCFSA-N 1 3 304.522 4.486 20 0 DIADHO C1C[C@@H](C2CCCCC2)[N@H+]([C@@H]2CCNC3(CCCCC3)C2)C1 ZINC001246867481 1059142288 /nfs/dbraw/zinc/14/22/88/1059142288.db2.gz XYQGUUWGYUOTOR-MOPGFXCFSA-N 1 3 304.522 4.486 20 0 DIADHO CC[C@@H]1c2ccccc2CCN1[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246870580 1059143037 /nfs/dbraw/zinc/14/30/37/1059143037.db2.gz YMLKQOMQWFKXGE-QRQLOZEOSA-N 1 3 300.490 4.163 20 0 DIADHO C[NH2+]CC[C@@H](C)N(C)CCC(c1ccccc1)c1ccccc1 ZINC001246881843 1059148782 /nfs/dbraw/zinc/14/87/82/1059148782.db2.gz KEFYWBGPBMQZDA-GOSISDBHSA-N 1 3 310.485 4.138 20 0 DIADHO C[NH2+]CC[C@H](C)N(C)CCC(c1ccccc1)c1ccccc1 ZINC001246881844 1059149137 /nfs/dbraw/zinc/14/91/37/1059149137.db2.gz KEFYWBGPBMQZDA-SFHVURJKSA-N 1 3 310.485 4.138 20 0 DIADHO CSc1ccccc1[C@H]1CCC[N@@H+]1[C@@H]1CCNC(C)(C)C1 ZINC001246886156 1059149450 /nfs/dbraw/zinc/14/94/50/1059149450.db2.gz HGOZIYNNDLNBMC-GDBMZVCRSA-N 1 3 304.503 4.076 20 0 DIADHO CSc1ccccc1[C@H]1CCC[N@H+]1[C@@H]1CCNC(C)(C)C1 ZINC001246886156 1059149463 /nfs/dbraw/zinc/14/94/63/1059149463.db2.gz HGOZIYNNDLNBMC-GDBMZVCRSA-N 1 3 304.503 4.076 20 0 DIADHO CSc1ccccc1[C@H]1CCCN1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246886156 1059149476 /nfs/dbraw/zinc/14/94/76/1059149476.db2.gz HGOZIYNNDLNBMC-GDBMZVCRSA-N 1 3 304.503 4.076 20 0 DIADHO CSc1ccccc1[C@H]1CCC[N@@H+]1[C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246889636 1059154313 /nfs/dbraw/zinc/15/43/13/1059154313.db2.gz RJEGRFJFJZFKKR-JYYAWHABSA-N 1 3 304.503 4.074 20 0 DIADHO CSc1ccccc1[C@H]1CCC[N@H+]1[C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246889636 1059154319 /nfs/dbraw/zinc/15/43/19/1059154319.db2.gz RJEGRFJFJZFKKR-JYYAWHABSA-N 1 3 304.503 4.074 20 0 DIADHO CSc1ccccc1[C@H]1CCCN1[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246889636 1059154334 /nfs/dbraw/zinc/15/43/34/1059154334.db2.gz RJEGRFJFJZFKKR-JYYAWHABSA-N 1 3 304.503 4.074 20 0 DIADHO CSc1ccccc1[C@@H]1CCC[N@@H+]1C1C[C@@H](C)N[C@H](C)C1 ZINC001246889632 1059156790 /nfs/dbraw/zinc/15/67/90/1059156790.db2.gz RJEGRFJFJZFKKR-CPUCHLNUSA-N 1 3 304.503 4.074 20 0 DIADHO CSc1ccccc1[C@@H]1CCC[N@H+]1C1C[C@@H](C)N[C@H](C)C1 ZINC001246889632 1059156799 /nfs/dbraw/zinc/15/67/99/1059156799.db2.gz RJEGRFJFJZFKKR-CPUCHLNUSA-N 1 3 304.503 4.074 20 0 DIADHO CSc1ccccc1[C@@H]1CCCN1C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246889632 1059156811 /nfs/dbraw/zinc/15/68/11/1059156811.db2.gz RJEGRFJFJZFKKR-CPUCHLNUSA-N 1 3 304.503 4.074 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246894422 1059158352 /nfs/dbraw/zinc/15/83/52/1059158352.db2.gz TYEUWUFXSCETNB-MOPGFXCFSA-N 1 3 302.506 4.250 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246894422 1059158358 /nfs/dbraw/zinc/15/83/58/1059158358.db2.gz TYEUWUFXSCETNB-MOPGFXCFSA-N 1 3 302.506 4.250 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)N1CCC[C@@H]1C[NH3+] ZINC001246918865 1059176372 /nfs/dbraw/zinc/17/63/72/1059176372.db2.gz XXPSRFBMCHXQLC-YLJYHZDGSA-N 1 3 308.469 4.020 20 0 DIADHO CC[C@@H](Cc1ccccc1)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246938313 1059184489 /nfs/dbraw/zinc/18/44/89/1059184489.db2.gz OZUQMIQQNNSEHT-PMACEKPBSA-N 1 3 314.517 4.252 20 0 DIADHO CC[C@@H](Cc1ccccc1)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246938313 1059184499 /nfs/dbraw/zinc/18/44/99/1059184499.db2.gz OZUQMIQQNNSEHT-PMACEKPBSA-N 1 3 314.517 4.252 20 0 DIADHO Cc1ccc(C[C@H](C)[N@H+](C[C@H]2CCCNC2)C2CCCC2)cc1 ZINC001246934031 1059184959 /nfs/dbraw/zinc/18/49/59/1059184959.db2.gz NBPZSKRREPPGAM-ICSRJNTNSA-N 1 3 314.517 4.170 20 0 DIADHO Cc1ccc(C[C@H](C)[N@@H+](C[C@H]2CCCNC2)C2CCCC2)cc1 ZINC001246934031 1059184973 /nfs/dbraw/zinc/18/49/73/1059184973.db2.gz NBPZSKRREPPGAM-ICSRJNTNSA-N 1 3 314.517 4.170 20 0 DIADHO CC(C)CC[C@H](C)[N@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001246944845 1059188278 /nfs/dbraw/zinc/18/82/78/1059188278.db2.gz VTJLBHRUOBRQCH-INIZCTEOSA-N 1 3 306.469 4.204 20 0 DIADHO CC(C)CC[C@H](C)[N@@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001246944845 1059188287 /nfs/dbraw/zinc/18/82/87/1059188287.db2.gz VTJLBHRUOBRQCH-INIZCTEOSA-N 1 3 306.469 4.204 20 0 DIADHO CC(C)CC[C@H](C)N(Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246944845 1059188301 /nfs/dbraw/zinc/18/83/01/1059188301.db2.gz VTJLBHRUOBRQCH-INIZCTEOSA-N 1 3 306.469 4.204 20 0 DIADHO C[C@H]1C[C@H]([N@H+](Cc2cccc(F)c2)C2CCNCC2)C[C@@H](C)C1 ZINC001246944756 1059189126 /nfs/dbraw/zinc/18/91/26/1059189126.db2.gz VIJKYGCAJIGFID-IGOJGBNBSA-N 1 3 318.480 4.204 20 0 DIADHO C[C@H]1C[C@H]([N@@H+](Cc2cccc(F)c2)C2CCNCC2)C[C@@H](C)C1 ZINC001246944756 1059189130 /nfs/dbraw/zinc/18/91/30/1059189130.db2.gz VIJKYGCAJIGFID-IGOJGBNBSA-N 1 3 318.480 4.204 20 0 DIADHO Cc1cc(F)cc(C[N@H+](C2CCCCC2)C2CCNCC2)c1 ZINC001246951701 1059196418 /nfs/dbraw/zinc/19/64/18/1059196418.db2.gz NMFWDDAODKHHMJ-UHFFFAOYSA-N 1 3 304.453 4.021 20 0 DIADHO Cc1cc(F)cc(C[N@@H+](C2CCCCC2)C2CCNCC2)c1 ZINC001246951701 1059196426 /nfs/dbraw/zinc/19/64/26/1059196426.db2.gz NMFWDDAODKHHMJ-UHFFFAOYSA-N 1 3 304.453 4.021 20 0 DIADHO CC[C@H](CC(C)C)[N@H+](Cc1ccc(F)c(F)c1)C1CCNCC1 ZINC001246956814 1059203481 /nfs/dbraw/zinc/20/34/81/1059203481.db2.gz VOZRNXAHJKQUQS-MRXNPFEDSA-N 1 3 324.459 4.344 20 0 DIADHO CC[C@H](CC(C)C)[N@@H+](Cc1ccc(F)c(F)c1)C1CCNCC1 ZINC001246956814 1059203494 /nfs/dbraw/zinc/20/34/94/1059203494.db2.gz VOZRNXAHJKQUQS-MRXNPFEDSA-N 1 3 324.459 4.344 20 0 DIADHO CC[C@H](CC(C)C)N(Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001246956814 1059203512 /nfs/dbraw/zinc/20/35/12/1059203512.db2.gz VOZRNXAHJKQUQS-MRXNPFEDSA-N 1 3 324.459 4.344 20 0 DIADHO CC[C@@H]1CC[C@H](N(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246956828 1059205721 /nfs/dbraw/zinc/20/57/21/1059205721.db2.gz WAYMSGBJTBBSAX-PBHICJAKSA-N 1 3 322.443 4.098 20 0 DIADHO CC[C@@H]1CC[C@H]([N@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246956828 1059205741 /nfs/dbraw/zinc/20/57/41/1059205741.db2.gz WAYMSGBJTBBSAX-PBHICJAKSA-N 1 3 322.443 4.098 20 0 DIADHO CC[C@@H]1CC[C@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246956828 1059205762 /nfs/dbraw/zinc/20/57/62/1059205762.db2.gz WAYMSGBJTBBSAX-PBHICJAKSA-N 1 3 322.443 4.098 20 0 DIADHO CCC[C@@H](CC)[N@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001246962221 1059206994 /nfs/dbraw/zinc/20/69/94/1059206994.db2.gz IXVSEVVHZDLYCI-GOSISDBHSA-N 1 3 306.469 4.267 20 0 DIADHO CCC[C@@H](CC)[N@@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001246962221 1059207012 /nfs/dbraw/zinc/20/70/12/1059207012.db2.gz IXVSEVVHZDLYCI-GOSISDBHSA-N 1 3 306.469 4.267 20 0 DIADHO CC[C@@H]1CC(N(Cc2ccccc2)C2CCC2)C[C@@H](CC)[NH2+]1 ZINC001246959211 1059208813 /nfs/dbraw/zinc/20/88/13/1059208813.db2.gz FRROBWJPQQFZGJ-QZTJIDSGSA-N 1 3 300.490 4.350 20 0 DIADHO CCC[C@H](Cc1ccccc1)[N@H+](CCC)[C@H]1CCN[C@@H](C)C1 ZINC001246975276 1059215572 /nfs/dbraw/zinc/21/55/72/1059215572.db2.gz BNSDPRXJMGOJIA-SXLOBPIMSA-N 1 3 302.506 4.250 20 0 DIADHO CCC[C@H](Cc1ccccc1)[N@@H+](CCC)[C@H]1CCN[C@@H](C)C1 ZINC001246975276 1059215596 /nfs/dbraw/zinc/21/55/96/1059215596.db2.gz BNSDPRXJMGOJIA-SXLOBPIMSA-N 1 3 302.506 4.250 20 0 DIADHO c1ccc([C@@H]2CCC[C@@H]([N@H+](C[C@@H]3CCCNC3)C3CC3)C2)cc1 ZINC001246973548 1059219330 /nfs/dbraw/zinc/21/93/30/1059219330.db2.gz ODFMVARDZCVOJF-YFVAEKQCSA-N 1 3 312.501 4.177 20 0 DIADHO c1ccc([C@@H]2CCC[C@@H]([N@@H+](C[C@@H]3CCCNC3)C3CC3)C2)cc1 ZINC001246973548 1059219349 /nfs/dbraw/zinc/21/93/49/1059219349.db2.gz ODFMVARDZCVOJF-YFVAEKQCSA-N 1 3 312.501 4.177 20 0 DIADHO CN(C)[C@H]1CCC[N@H+](CCCCc2cccc(Cl)c2)CC1 ZINC001559749065 1059583043 /nfs/dbraw/zinc/58/30/43/1059583043.db2.gz DWUOXBHBQLTWEV-SFHVURJKSA-N 1 3 308.897 4.079 20 0 DIADHO CN(C)[C@H]1CCC[N@@H+](CCCCc2cccc(Cl)c2)CC1 ZINC001559749065 1059583064 /nfs/dbraw/zinc/58/30/64/1059583064.db2.gz DWUOXBHBQLTWEV-SFHVURJKSA-N 1 3 308.897 4.079 20 0 DIADHO CCCC[N@H+](CC1CC(F)(F)C1)C1CC(C)(C)NC(C)(C)C1 ZINC001560035823 1059852869 /nfs/dbraw/zinc/85/28/69/1059852869.db2.gz IPLOBSQELRVSFK-UHFFFAOYSA-N 1 3 316.480 4.443 20 0 DIADHO CCCC[N@@H+](CC1CC(F)(F)C1)C1CC(C)(C)NC(C)(C)C1 ZINC001560035823 1059852897 /nfs/dbraw/zinc/85/28/97/1059852897.db2.gz IPLOBSQELRVSFK-UHFFFAOYSA-N 1 3 316.480 4.443 20 0 DIADHO CC(C)[NH+]1CCC(CN(C)Cc2c3ccoc3ccc2F)CC1 ZINC001248539713 1059874536 /nfs/dbraw/zinc/87/45/36/1059874536.db2.gz UUAGNLLBKWETKQ-UHFFFAOYSA-N 1 3 318.436 4.124 20 0 DIADHO C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC001560077685 1059891330 /nfs/dbraw/zinc/89/13/30/1059891330.db2.gz UJIJPZDKVNCVAP-SZVBFZGTSA-N 1 3 300.490 4.071 20 0 DIADHO C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC001560077685 1059891351 /nfs/dbraw/zinc/89/13/51/1059891351.db2.gz UJIJPZDKVNCVAP-SZVBFZGTSA-N 1 3 300.490 4.071 20 0 DIADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cccc(Cl)c1F ZINC001560270627 1060044700 /nfs/dbraw/zinc/04/47/00/1060044700.db2.gz BYOQMMZCGBFAIZ-CQSZACIVSA-N 1 3 312.860 4.223 20 0 DIADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cccc(Cl)c1F ZINC001560270627 1060044719 /nfs/dbraw/zinc/04/47/19/1060044719.db2.gz BYOQMMZCGBFAIZ-CQSZACIVSA-N 1 3 312.860 4.223 20 0 DIADHO CC[C@H](C)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001560315391 1060101170 /nfs/dbraw/zinc/10/11/70/1060101170.db2.gz ZLHPIMPVCKRCFH-HNNXBMFYSA-N 1 3 308.897 4.188 20 0 DIADHO CCCOc1ccc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)c(C)c1 ZINC001560330086 1060113914 /nfs/dbraw/zinc/11/39/14/1060113914.db2.gz CJMNNTLDKFLFFL-IBGZPJMESA-N 1 3 320.521 4.240 20 0 DIADHO CCc1cccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC001560418391 1060201757 /nfs/dbraw/zinc/20/17/57/1060201757.db2.gz LLWWTACPDANILN-GCJKJVERSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1cccc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001560418391 1060201767 /nfs/dbraw/zinc/20/17/67/1060201767.db2.gz LLWWTACPDANILN-GCJKJVERSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1cccc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001560418391 1060201778 /nfs/dbraw/zinc/20/17/78/1060201778.db2.gz LLWWTACPDANILN-GCJKJVERSA-N 1 3 322.496 4.249 20 0 DIADHO C[C@H](CC[NH2+]C[C@@H](C)Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001560546761 1060355873 /nfs/dbraw/zinc/35/58/73/1060355873.db2.gz HWGVTDOHCQCFJK-DLBZAZTESA-N 1 3 304.522 4.093 20 0 DIADHO CC(C)C1CCC(CN[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC001560597074 1060410559 /nfs/dbraw/zinc/41/05/59/1060410559.db2.gz BBPFMPGQUCPCJC-AFMYVXGZSA-N 1 3 317.521 4.126 20 0 DIADHO Cc1coc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c1 ZINC001560629114 1060442058 /nfs/dbraw/zinc/44/20/58/1060442058.db2.gz FRSFRIFEOGTJJV-OAQYLSRUSA-N 1 3 324.468 4.076 20 0 DIADHO Cc1coc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c1 ZINC001560629114 1060442062 /nfs/dbraw/zinc/44/20/62/1060442062.db2.gz FRSFRIFEOGTJJV-OAQYLSRUSA-N 1 3 324.468 4.076 20 0 DIADHO CCc1cccc(Cl)c1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC001560680879 1060523250 /nfs/dbraw/zinc/52/32/50/1060523250.db2.gz QQHKJUXFMAHMQD-UHFFFAOYSA-N 1 3 322.924 4.455 20 0 DIADHO CCc1cccc(Cl)c1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001560680879 1060523267 /nfs/dbraw/zinc/52/32/67/1060523267.db2.gz QQHKJUXFMAHMQD-UHFFFAOYSA-N 1 3 322.924 4.455 20 0 DIADHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001560704054 1060560552 /nfs/dbraw/zinc/56/05/52/1060560552.db2.gz WFPCYNMBBPOMEU-LELZANKISA-N 1 3 312.501 4.065 20 0 DIADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC001560919669 1060781184 /nfs/dbraw/zinc/78/11/84/1060781184.db2.gz KJQKPUSIJHHPMT-RNIPGJKVSA-N 1 3 306.538 4.444 20 0 DIADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC001560919667 1060784345 /nfs/dbraw/zinc/78/43/45/1060784345.db2.gz KJQKPUSIJHHPMT-DKKFBQAASA-N 1 3 306.538 4.444 20 0 DIADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC001560950859 1060816377 /nfs/dbraw/zinc/81/63/77/1060816377.db2.gz PTKGSQUZQNKKMA-SFTDATJTSA-N 1 3 314.517 4.028 20 0 DIADHO CCN(CC)CC[C@H]([NH2+]C1CC(C(C)C)C1)c1ccccc1 ZINC001561049578 1060897640 /nfs/dbraw/zinc/89/76/40/1060897640.db2.gz YYHBDRBQDROEOI-MHJFOBGBSA-N 1 3 302.506 4.484 20 0 DIADHO CCN(CC)CC[C@@H]([NH2+]C1CC(C(C)C)C1)c1ccccc1 ZINC001561049579 1060897945 /nfs/dbraw/zinc/89/79/45/1060897945.db2.gz YYHBDRBQDROEOI-SOAGJPPSSA-N 1 3 302.506 4.484 20 0 DIADHO CN1CCCC[C@H]1CC[N@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC001473191003 1060944259 /nfs/dbraw/zinc/94/42/59/1060944259.db2.gz CYWKTMRBVXNBPW-HKUYNNGSSA-N 1 3 304.453 4.009 20 0 DIADHO CN1CCCC[C@H]1CC[N@@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC001473191003 1060944281 /nfs/dbraw/zinc/94/42/81/1060944281.db2.gz CYWKTMRBVXNBPW-HKUYNNGSSA-N 1 3 304.453 4.009 20 0 DIADHO CCC(C)(C)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC001473220525 1060998549 /nfs/dbraw/zinc/99/85/49/1060998549.db2.gz WTAYHURTRGRBMN-AZUAARDMSA-N 1 3 314.517 4.290 20 0 DIADHO CCC(C)(C)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC001473220525 1060998554 /nfs/dbraw/zinc/99/85/54/1060998554.db2.gz WTAYHURTRGRBMN-AZUAARDMSA-N 1 3 314.517 4.290 20 0 DIADHO CC[N@H+](CCCN1CCCC1)Cc1c(C)cc(Cl)cc1C ZINC001462196820 1061022029 /nfs/dbraw/zinc/02/20/29/1061022029.db2.gz FUGMZOSXQOOIPR-UHFFFAOYSA-N 1 3 308.897 4.265 20 0 DIADHO CC[N@@H+](CCCN1CCCC1)Cc1c(C)cc(Cl)cc1C ZINC001462196820 1061022044 /nfs/dbraw/zinc/02/20/44/1061022044.db2.gz FUGMZOSXQOOIPR-UHFFFAOYSA-N 1 3 308.897 4.265 20 0 DIADHO CC[N@H+](CCCN[C@@H]1C[C@H](OC(C)C)C1(C)C)C1CCCCC1 ZINC001462408114 1061154577 /nfs/dbraw/zinc/15/45/77/1061154577.db2.gz MHAXTOCVKUHMMM-MOPGFXCFSA-N 1 3 324.553 4.213 20 0 DIADHO CC[N@@H+](CCCN[C@@H]1C[C@H](OC(C)C)C1(C)C)C1CCCCC1 ZINC001462408114 1061154587 /nfs/dbraw/zinc/15/45/87/1061154587.db2.gz MHAXTOCVKUHMMM-MOPGFXCFSA-N 1 3 324.553 4.213 20 0 DIADHO CC[C@H](CC1CCCCC1)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC001462592913 1061285017 /nfs/dbraw/zinc/28/50/17/1061285017.db2.gz PACZARQXKJENLN-WOJBJXKFSA-N 1 3 317.521 4.413 20 0 DIADHO CC[C@H](CC1CCCCC1)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC001462592902 1061286004 /nfs/dbraw/zinc/28/60/04/1061286004.db2.gz PACZARQXKJENLN-UXHICEINSA-N 1 3 317.521 4.413 20 0 DIADHO C[C@@H]1CCC[N@H+](CCCCNCc2cc(Cl)ccc2F)C1 ZINC001473937092 1061482170 /nfs/dbraw/zinc/48/21/70/1061482170.db2.gz KVRUGJXYJGHJAY-CQSZACIVSA-N 1 3 312.860 4.081 20 0 DIADHO C[C@@H]1CCC[N@@H+](CCCCNCc2cc(Cl)ccc2F)C1 ZINC001473937092 1061482178 /nfs/dbraw/zinc/48/21/78/1061482178.db2.gz KVRUGJXYJGHJAY-CQSZACIVSA-N 1 3 312.860 4.081 20 0 DIADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cc(Cl)ccc1F ZINC001473937076 1061482411 /nfs/dbraw/zinc/48/24/11/1061482411.db2.gz KNGNVOGNKNOBKG-CQSZACIVSA-N 1 3 312.860 4.223 20 0 DIADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cc(Cl)ccc1F ZINC001473937076 1061482421 /nfs/dbraw/zinc/48/24/21/1061482421.db2.gz KNGNVOGNKNOBKG-CQSZACIVSA-N 1 3 312.860 4.223 20 0 DIADHO C[N@@H+]1CC[C@@H](N[C@@H](c2ccc(F)cc2)C(C)(C)C)CC1(C)C ZINC001473969401 1061513239 /nfs/dbraw/zinc/51/32/39/1061513239.db2.gz UGLOLDCEBBMIKT-SJORKVTESA-N 1 3 306.469 4.375 20 0 DIADHO C[N@H+]1CC[C@@H](N[C@@H](c2ccc(F)cc2)C(C)(C)C)CC1(C)C ZINC001473969401 1061513258 /nfs/dbraw/zinc/51/32/58/1061513258.db2.gz UGLOLDCEBBMIKT-SJORKVTESA-N 1 3 306.469 4.375 20 0 DIADHO CSc1ccc(CNC2CCC([NH+]3CCC(C)CC3)CC2)o1 ZINC001474081601 1061629583 /nfs/dbraw/zinc/62/95/83/1061629583.db2.gz AOICRZTVXJJIIM-UHFFFAOYSA-N 1 3 322.518 4.134 20 0 DIADHO CC(C)c1ccc(O[C@@H](C)CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001474142890 1061687414 /nfs/dbraw/zinc/68/74/14/1061687414.db2.gz IDMATZAUDGHYQW-FUHWJXTLSA-N 1 3 318.505 4.040 20 0 DIADHO CC(C)c1ccc(O[C@@H](C)CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001474142890 1061687422 /nfs/dbraw/zinc/68/74/22/1061687422.db2.gz IDMATZAUDGHYQW-FUHWJXTLSA-N 1 3 318.505 4.040 20 0 DIADHO C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2)c(Cl)c1)CN(C)C ZINC001474161749 1061703624 /nfs/dbraw/zinc/70/36/24/1061703624.db2.gz DRYWPXJUMZPHMT-HNNXBMFYSA-N 1 3 316.876 4.294 20 0 DIADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCC[C@H]1C1CC1 ZINC001474179886 1061726853 /nfs/dbraw/zinc/72/68/53/1061726853.db2.gz FRWIBQVILYYJLT-PXNSSMCTSA-N 1 3 304.522 4.199 20 0 DIADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC001253094564 1061801291 /nfs/dbraw/zinc/80/12/91/1061801291.db2.gz FFYSAOGFGTVYCW-ZWKOTPCHSA-N 1 3 323.484 4.131 20 0 DIADHO CC[N@@H+]1CCC[C@H](CN[C@@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC001253094564 1061801311 /nfs/dbraw/zinc/80/13/11/1061801311.db2.gz FFYSAOGFGTVYCW-ZWKOTPCHSA-N 1 3 323.484 4.131 20 0 DIADHO CC[N@H+]1CCC[C@H](CN[C@@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC001253094564 1061801332 /nfs/dbraw/zinc/80/13/32/1061801332.db2.gz FFYSAOGFGTVYCW-ZWKOTPCHSA-N 1 3 323.484 4.131 20 0 DIADHO c1ccc(CN2CC3(C2)CC[NH+](C2CCC4(CC4)CC2)CC3)cc1 ZINC001254446502 1062105240 /nfs/dbraw/zinc/10/52/40/1062105240.db2.gz YJBVXNDXEIVMAO-UHFFFAOYSA-N 1 3 324.512 4.307 20 0 DIADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC001474435990 1062112137 /nfs/dbraw/zinc/11/21/37/1062112137.db2.gz RYDLXPLHYIOHRV-RDGPPVDQSA-N 1 3 306.538 4.444 20 0 DIADHO C[C@H](CC[NH2+]C1CCC(C)(N2CCOCC2)CC1)CC(C)(C)C ZINC001474446876 1062127283 /nfs/dbraw/zinc/12/72/83/1062127283.db2.gz SFVXDDIUYRXZFG-PGYGNJIDSA-N 1 3 324.553 4.072 20 0 DIADHO CCC[C@H](CCc1ccccc1)[NH+]1CCC(N(C)C2CC2)CC1 ZINC001254497521 1062138318 /nfs/dbraw/zinc/13/83/18/1062138318.db2.gz DBKICWBMHBWBON-OAQYLSRUSA-N 1 3 314.517 4.347 20 0 DIADHO FC1(F)CC[C@@H](CN2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC001459437238 1062145474 /nfs/dbraw/zinc/14/54/74/1062145474.db2.gz JESZKPGMSIZHER-IAGOWNOFSA-N 1 3 314.464 4.010 20 0 DIADHO C[N@@H+]1CCC[C@@H](N[C@@H](CC2CCC2)c2cccc(F)c2)CC1 ZINC001254509965 1062148436 /nfs/dbraw/zinc/14/84/36/1062148436.db2.gz KSVWVYLXWFYKJX-MOPGFXCFSA-N 1 3 304.453 4.131 20 0 DIADHO C[N@H+]1CCC[C@@H](N[C@@H](CC2CCC2)c2cccc(F)c2)CC1 ZINC001254509965 1062148443 /nfs/dbraw/zinc/14/84/43/1062148443.db2.gz KSVWVYLXWFYKJX-MOPGFXCFSA-N 1 3 304.453 4.131 20 0 DIADHO CN1CCC[C@H]([NH2+][C@H](CC2CCC2)c2ccccc2F)CC1 ZINC001254507452 1062151407 /nfs/dbraw/zinc/15/14/07/1062151407.db2.gz CELUBNWCUGPNEY-QFBILLFUSA-N 1 3 304.453 4.131 20 0 DIADHO CC(C)CCN1CCC([NH2+]CC[C@@H](C)c2ccccc2)CC1 ZINC001474478891 1062157105 /nfs/dbraw/zinc/15/71/05/1062157105.db2.gz DMIARGFTMHGUJQ-GOSISDBHSA-N 1 3 302.506 4.280 20 0 DIADHO C[N@@H+]1CCC[C@@H]1CCN[C@H](Cc1ccccc1)c1ccccc1 ZINC001459751355 1062361106 /nfs/dbraw/zinc/36/11/06/1062361106.db2.gz ZXAONUGSAUCGRY-NHCUHLMSSA-N 1 3 308.469 4.044 20 0 DIADHO C[N@H+]1CCC[C@@H]1CCN[C@H](Cc1ccccc1)c1ccccc1 ZINC001459751355 1062361116 /nfs/dbraw/zinc/36/11/16/1062361116.db2.gz ZXAONUGSAUCGRY-NHCUHLMSSA-N 1 3 308.469 4.044 20 0 DIADHO CN1CCC[C@@H]1CC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC001459751355 1062361140 /nfs/dbraw/zinc/36/11/40/1062361140.db2.gz ZXAONUGSAUCGRY-NHCUHLMSSA-N 1 3 308.469 4.044 20 0 DIADHO C[C@@H](N[C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cccs1 ZINC001255376934 1062423821 /nfs/dbraw/zinc/42/38/21/1062423821.db2.gz CZHZXSHNAVKSOX-AEFFLSMTSA-N 1 3 314.498 4.453 20 0 DIADHO C[C@@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cccs1 ZINC001255376934 1062423826 /nfs/dbraw/zinc/42/38/26/1062423826.db2.gz CZHZXSHNAVKSOX-AEFFLSMTSA-N 1 3 314.498 4.453 20 0 DIADHO Cc1ccnc([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccccc3)CC2)c1 ZINC001255384287 1062423926 /nfs/dbraw/zinc/42/39/26/1062423926.db2.gz XJPJIHFDNCNYGI-AZUAARDMSA-N 1 3 323.484 4.095 20 0 DIADHO c1ccc(CN2CCC[C@H]([N@@H+]3CC[C@@H]4CCC[C@H]4C3)CC2)cc1 ZINC001255400040 1062432409 /nfs/dbraw/zinc/43/24/09/1062432409.db2.gz DCPSMGCIIXEOBV-ACRUOGEOSA-N 1 3 312.501 4.163 20 0 DIADHO c1ccc(CN2CCC[C@H]([N@H+]3CC[C@@H]4CCC[C@H]4C3)CC2)cc1 ZINC001255400040 1062432422 /nfs/dbraw/zinc/43/24/22/1062432422.db2.gz DCPSMGCIIXEOBV-ACRUOGEOSA-N 1 3 312.501 4.163 20 0 DIADHO c1ccc(CN2CCC[C@@H]([NH+]3CC4CCC(CC4)C3)CC2)cc1 ZINC001255409530 1062446294 /nfs/dbraw/zinc/44/62/94/1062446294.db2.gz ZSVONQZJRVUFEI-XVAXZDLZSA-N 1 3 312.501 4.163 20 0 DIADHO C[C@@H](CSc1ccc(F)cc1)NCCC[N@@H+]1CCCC[C@H]1C ZINC001255727854 1062546147 /nfs/dbraw/zinc/54/61/47/1062546147.db2.gz IFRBEKVDQYYIAO-JKSUJKDBSA-N 1 3 324.509 4.160 20 0 DIADHO C[C@@H](CSc1ccc(F)cc1)NCCC[N@H+]1CCCC[C@H]1C ZINC001255727854 1062546164 /nfs/dbraw/zinc/54/61/64/1062546164.db2.gz IFRBEKVDQYYIAO-JKSUJKDBSA-N 1 3 324.509 4.160 20 0 DIADHO C[C@@H](CSc1ccc(F)cc1)N1C(C)(C)CC([NH3+])CC1(C)C ZINC001255728301 1062549740 /nfs/dbraw/zinc/54/97/40/1062549740.db2.gz QFAIQXQNFHAKLJ-ZDUSSCGKSA-N 1 3 324.509 4.287 20 0 DIADHO C[C@@H](CSc1ccc(F)cc1)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001255728301 1062549756 /nfs/dbraw/zinc/54/97/56/1062549756.db2.gz QFAIQXQNFHAKLJ-ZDUSSCGKSA-N 1 3 324.509 4.287 20 0 DIADHO CCC(CC)N1CCC([NH2+][C@H](C)Cc2ccc(C)cc2)CC1 ZINC001255782033 1062601923 /nfs/dbraw/zinc/60/19/23/1062601923.db2.gz UZAQOIZTOKKOSR-QGZVFWFLSA-N 1 3 302.506 4.169 20 0 DIADHO Cc1ccc(C[C@@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)cc1 ZINC001255780279 1062601953 /nfs/dbraw/zinc/60/19/53/1062601953.db2.gz JXNUHXJJAVJXKK-GOSISDBHSA-N 1 3 314.517 4.170 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001255855452 1062635858 /nfs/dbraw/zinc/63/58/58/1062635858.db2.gz BEYFQFNMNPNWJP-OXJNMPFZSA-N 1 3 314.448 4.039 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001255864565 1062641314 /nfs/dbraw/zinc/64/13/14/1062641314.db2.gz GURRSUPFJJXJTC-INIZCTEOSA-N 1 3 318.480 4.001 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001255872367 1062647524 /nfs/dbraw/zinc/64/75/24/1062647524.db2.gz IIQJPGWVBFTBGY-FXAWDEMLSA-N 1 3 318.480 4.097 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001255872367 1062647535 /nfs/dbraw/zinc/64/75/35/1062647535.db2.gz IIQJPGWVBFTBGY-FXAWDEMLSA-N 1 3 318.480 4.097 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001255872367 1062647542 /nfs/dbraw/zinc/64/75/42/1062647542.db2.gz IIQJPGWVBFTBGY-FXAWDEMLSA-N 1 3 318.480 4.097 20 0 DIADHO c1ccc([C@H]2CCC[C@H]([NH+]3CC4(C3)CCN(CC3CC3)C4)C2)cc1 ZINC001256114501 1062716035 /nfs/dbraw/zinc/71/60/35/1062716035.db2.gz DYFJSDUGGDXDRO-SFTDATJTSA-N 1 3 324.512 4.131 20 0 DIADHO CC[N@H+](C)C1CCN([C@@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001256121555 1062720407 /nfs/dbraw/zinc/72/04/07/1062720407.db2.gz VSPSDQJMUJQOTA-AZUAARDMSA-N 1 3 300.490 4.129 20 0 DIADHO CC[N@@H+](C)C1CCN([C@@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001256121555 1062720430 /nfs/dbraw/zinc/72/04/30/1062720430.db2.gz VSPSDQJMUJQOTA-AZUAARDMSA-N 1 3 300.490 4.129 20 0 DIADHO CCN(C)C1CC[NH+]([C@@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001256121555 1062720453 /nfs/dbraw/zinc/72/04/53/1062720453.db2.gz VSPSDQJMUJQOTA-AZUAARDMSA-N 1 3 300.490 4.129 20 0 DIADHO CC(C)CC[C@H](C)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001256367970 1062791424 /nfs/dbraw/zinc/79/14/24/1062791424.db2.gz KQGNZMPNQNISLF-SFHVURJKSA-N 1 3 302.506 4.408 20 0 DIADHO CC(C)CC[C@H](C)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001256367970 1062791443 /nfs/dbraw/zinc/79/14/43/1062791443.db2.gz KQGNZMPNQNISLF-SFHVURJKSA-N 1 3 302.506 4.408 20 0 DIADHO C[C@@H]1C[C@@H](N2Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256539870 1062858626 /nfs/dbraw/zinc/85/86/26/1062858626.db2.gz YNNIAIQDAFXWKQ-UTKZUKDTSA-N 1 3 306.453 4.055 20 0 DIADHO C[C@@H]1C[C@@H](N2Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC001256539870 1062858652 /nfs/dbraw/zinc/85/86/52/1062858652.db2.gz YNNIAIQDAFXWKQ-UTKZUKDTSA-N 1 3 306.453 4.055 20 0 DIADHO CC(C)(C)[NH+]1CCC(N[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC001256561857 1062883280 /nfs/dbraw/zinc/88/32/80/1062883280.db2.gz IDBJUCDKPFQTAV-IAGOWNOFSA-N 1 3 306.881 4.048 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC001256567561 1062888450 /nfs/dbraw/zinc/88/84/50/1062888450.db2.gz WEDDNMPHMAJGBA-GOSISDBHSA-N 1 3 322.443 4.195 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C(C)(C)c2cc(F)cc(F)c2)CC1 ZINC001256563520 1062891091 /nfs/dbraw/zinc/89/10/91/1062891091.db2.gz DCGBPHCUJHKNKU-UHFFFAOYSA-N 1 3 310.432 4.052 20 0 DIADHO CC(C)(C)[NH+]1CCC(N[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001256569285 1062895715 /nfs/dbraw/zinc/89/57/15/1062895715.db2.gz ZBRGOWZCTXMUSU-SJORKVTESA-N 1 3 306.881 4.048 20 0 DIADHO CC1CCN(CC[C@H]2CCC[N@@H+]2CCC(C)(C)C2CC2)CC1 ZINC001460628433 1062945302 /nfs/dbraw/zinc/94/53/02/1062945302.db2.gz VPXBPTCKGYJMTM-LJQANCHMSA-N 1 3 306.538 4.399 20 0 DIADHO CC1CCN(CC[C@H]2CCC[N@H+]2CCC(C)(C)C2CC2)CC1 ZINC001460628433 1062945324 /nfs/dbraw/zinc/94/53/24/1062945324.db2.gz VPXBPTCKGYJMTM-LJQANCHMSA-N 1 3 306.538 4.399 20 0 DIADHO [NH2+]=C(N[C@H]1CCCN(C2CCCC2)C1)c1cccc2ccccc21 ZINC001256908292 1063040456 /nfs/dbraw/zinc/04/04/56/1063040456.db2.gz MDMVBVSPMMEBBZ-KRWDZBQOSA-N 1 3 321.468 4.162 20 0 DIADHO CCC[C@@H](CC)[NH+]1CCC(N)(Cc2ccc(Cl)cc2)CC1 ZINC001257254027 1063159085 /nfs/dbraw/zinc/15/90/85/1063159085.db2.gz ZWVWGKUVGLOTGJ-QGZVFWFLSA-N 1 3 308.897 4.255 20 0 DIADHO CCCC(CCC)[NH+]1CCC(N)(Cc2cccc(F)c2)CC1 ZINC001257332515 1063213440 /nfs/dbraw/zinc/21/34/40/1063213440.db2.gz XCRCWUSSPUTIIF-UHFFFAOYSA-N 1 3 306.469 4.130 20 0 DIADHO CCCCCC[C@@H](C)N1CCC([NH3+])(c2cccc(OC)c2)CC1 ZINC001257359109 1063228295 /nfs/dbraw/zinc/22/82/95/1063228295.db2.gz LLBPQBQBHOFTDH-QGZVFWFLSA-N 1 3 318.505 4.304 20 0 DIADHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001461126480 1063276860 /nfs/dbraw/zinc/27/68/60/1063276860.db2.gz ARCWCMSZVQRKRT-LPHOPBHVSA-N 1 3 306.538 4.445 20 0 DIADHO CC(C)CN1CCC([NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC001258008903 1063461093 /nfs/dbraw/zinc/46/10/93/1063461093.db2.gz KSYONTMYEUMXHQ-FQEVSTJZSA-N 1 3 300.490 4.164 20 0 DIADHO CC(C)C[NH+]1CCC(N[C@H]2CCCCc3ccccc32)CC1 ZINC001258008903 1063461107 /nfs/dbraw/zinc/46/11/07/1063461107.db2.gz KSYONTMYEUMXHQ-FQEVSTJZSA-N 1 3 300.490 4.164 20 0 DIADHO Cc1cc(Cl)ccc1[C@@H](C)[NH2+]C1CCN(CC(C)C)CC1 ZINC001258008580 1063461264 /nfs/dbraw/zinc/46/12/64/1063461264.db2.gz XLTCOGZZLBKPNC-OAHLLOKOSA-N 1 3 308.897 4.419 20 0 DIADHO CC(C)CN1CCC([NH2+][C@H](CC2CC2)c2ccc(F)cc2)CC1 ZINC001258007571 1063463688 /nfs/dbraw/zinc/46/36/88/1063463688.db2.gz HNYQWSXTTNHZDA-HXUWFJFHSA-N 1 3 318.480 4.377 20 0 DIADHO CC(C)CN1CCC([NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC001258006678 1063463723 /nfs/dbraw/zinc/46/37/23/1063463723.db2.gz KQSMCPCLRNEWGC-HXUWFJFHSA-N 1 3 300.490 4.238 20 0 DIADHO CC(C)C[NH+]1CCC(N[C@H](c2ccccc2)C2CCC2)CC1 ZINC001258006678 1063463731 /nfs/dbraw/zinc/46/37/31/1063463731.db2.gz KQSMCPCLRNEWGC-HXUWFJFHSA-N 1 3 300.490 4.238 20 0 DIADHO CC(C)C[NH+]1CCC(N2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001258017225 1063467669 /nfs/dbraw/zinc/46/76/69/1063467669.db2.gz XFIDAYJWXGESKR-KRWDZBQOSA-N 1 3 320.908 4.250 20 0 DIADHO CC(C)=CCC[C@@H](C)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001258086710 1063512286 /nfs/dbraw/zinc/51/22/86/1063512286.db2.gz YDBLAZUSEKAPMC-GOSISDBHSA-N 1 3 315.505 4.018 20 0 DIADHO CC1(C)CCC[C@H]([NH+]2CCC(N)(Cc3ccc(F)cc3)CC2)C1 ZINC001258282078 1063586182 /nfs/dbraw/zinc/58/61/82/1063586182.db2.gz TZHXXPMJFCFZHD-SFHVURJKSA-N 1 3 318.480 4.130 20 0 DIADHO CSC(C)(C)C[C@@H](C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001258326723 1063612910 /nfs/dbraw/zinc/61/29/10/1063612910.db2.gz KRLCERJUJORGBM-CYBMUJFWSA-N 1 3 300.556 4.148 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[NH2+]CCCN1CCCC1 ZINC001258298343 1063595718 /nfs/dbraw/zinc/59/57/18/1063595718.db2.gz LGRMTALPMJMRMM-MRXNPFEDSA-N 1 3 324.534 4.146 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[NH2+]CC[C@@H]1CCCN1C ZINC001258303688 1063600565 /nfs/dbraw/zinc/60/05/65/1063600565.db2.gz WKABKDHSMNCXQO-CVEARBPZSA-N 1 3 324.534 4.144 20 0 DIADHO CSC(C)(C)C[C@H](C)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001258330743 1063614717 /nfs/dbraw/zinc/61/47/17/1063614717.db2.gz FLICWTKSAMSLGL-DLBZAZTESA-N 1 3 324.578 4.317 20 0 DIADHO CSC(C)(C)C[C@@H](C)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001258330744 1063615241 /nfs/dbraw/zinc/61/52/41/1063615241.db2.gz FLICWTKSAMSLGL-IAGOWNOFSA-N 1 3 324.578 4.317 20 0 DIADHO CSC(C)(C)C[C@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001258334923 1063617727 /nfs/dbraw/zinc/61/77/27/1063617727.db2.gz VWRXREMTKBVYRY-HNNXBMFYSA-N 1 3 312.567 4.151 20 0 DIADHO CN1CC[C@H]([NH2+]Cc2ccc(-c3cccs3)cc2)CC1(C)C ZINC001461622779 1063619680 /nfs/dbraw/zinc/61/96/80/1063619680.db2.gz SAWHQIFOCSBAKW-KRWDZBQOSA-N 1 3 314.498 4.378 20 0 DIADHO C([NH2+]C1CCC2(CCCC2)CC1)[C@H]1CCCN(CC2CC2)C1 ZINC001461664384 1063644414 /nfs/dbraw/zinc/64/44/14/1063644414.db2.gz QKBVMJKOMPXZTF-GOSISDBHSA-N 1 3 304.522 4.201 20 0 DIADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1-c1ccccc1 ZINC001279097154 1063645580 /nfs/dbraw/zinc/64/55/80/1063645580.db2.gz GSSCBPYGXRWSET-IHWFROFDSA-N 1 3 306.453 4.068 20 0 DIADHO C[C@@H](CC1CC1)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001258454808 1063660767 /nfs/dbraw/zinc/66/07/67/1063660767.db2.gz RAENJNRMUFFZTO-HNNXBMFYSA-N 1 3 320.908 4.330 20 0 DIADHO CCC[C@@H](Cc1ccccc1)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001258653486 1063726812 /nfs/dbraw/zinc/72/68/12/1063726812.db2.gz SUDHJVNVEGRVCA-FQEVSTJZSA-N 1 3 314.517 4.381 20 0 DIADHO CCC[C@@H](Cc1ccccc1)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001258661078 1063731281 /nfs/dbraw/zinc/73/12/81/1063731281.db2.gz NRNQIORFZSTJNV-FQEVSTJZSA-N 1 3 314.517 4.348 20 0 DIADHO CCCCC[C@@H](CCC)N1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001258673614 1063742735 /nfs/dbraw/zinc/74/27/35/1063742735.db2.gz MQCWFGRDGDXNJN-HXUWFJFHSA-N 1 3 324.553 4.311 20 0 DIADHO CCCCC[C@@H](CCC)N1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001258673614 1063742743 /nfs/dbraw/zinc/74/27/43/1063742743.db2.gz MQCWFGRDGDXNJN-HXUWFJFHSA-N 1 3 324.553 4.311 20 0 DIADHO C[C@H]1CCC[C@@H]([NH+]2CCC(N)(Cc3cccc(Cl)c3)CC2)C1 ZINC001258811599 1063841529 /nfs/dbraw/zinc/84/15/29/1063841529.db2.gz BZWGRMYVALZHGE-MAUKXSAKSA-N 1 3 320.908 4.255 20 0 DIADHO C[C@H]1CCC[C@@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001258828061 1063852997 /nfs/dbraw/zinc/85/29/97/1063852997.db2.gz YIYCEUSNAIHZPY-AZUAARDMSA-N 1 3 312.501 4.163 20 0 DIADHO C[C@H]1CCC[C@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001258828062 1063853068 /nfs/dbraw/zinc/85/30/68/1063853068.db2.gz YIYCEUSNAIHZPY-ICSRJNTNSA-N 1 3 312.501 4.163 20 0 DIADHO CC[NH+](CC)CCC[C@@H](C)NCc1c(F)cc(Cl)cc1F ZINC001258901384 1063876585 /nfs/dbraw/zinc/87/65/85/1063876585.db2.gz ZGKOTIYVOIBVOO-GFCCVEGCSA-N 1 3 318.839 4.218 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)N[C@H](c1ncccc1Cl)C1CC1 ZINC001258904691 1063877810 /nfs/dbraw/zinc/87/78/10/1063877810.db2.gz KCVHMMGJXVQUFK-YOEHRIQHSA-N 1 3 323.912 4.286 20 0 DIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(O)cc1 ZINC000379632711 1063984566 /nfs/dbraw/zinc/98/45/66/1063984566.db2.gz NXWSTYVOOKDHRQ-ABSDTBQOSA-N 1 3 324.468 4.096 20 0 DIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(O)cc1 ZINC000379632711 1063984573 /nfs/dbraw/zinc/98/45/73/1063984573.db2.gz NXWSTYVOOKDHRQ-ABSDTBQOSA-N 1 3 324.468 4.096 20 0 DIADHO Cc1cc(C)cc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379632656 1063984914 /nfs/dbraw/zinc/98/49/14/1063984914.db2.gz NUODOBAHRSWFBC-UGKGYDQZSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1cc(C)cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379632656 1063984924 /nfs/dbraw/zinc/98/49/24/1063984924.db2.gz NUODOBAHRSWFBC-UGKGYDQZSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1C ZINC000379654966 1063987796 /nfs/dbraw/zinc/98/77/96/1063987796.db2.gz KKZFJMZLDJOABJ-UGKGYDQZSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1C ZINC000379654966 1063987804 /nfs/dbraw/zinc/98/78/04/1063987804.db2.gz KKZFJMZLDJOABJ-UGKGYDQZSA-N 1 3 322.496 4.446 20 0 DIADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000393946123 1064311991 /nfs/dbraw/zinc/31/19/91/1064311991.db2.gz FYLLLRXBIDTOMQ-NSHGMRRFSA-N 1 3 302.506 4.313 20 0 DIADHO CCCC[C@@H](CC)CN1CC2(C1)CCC[N@H+](CCOC(C)C)C2 ZINC001280081505 1064380381 /nfs/dbraw/zinc/38/03/81/1064380381.db2.gz SKKNNTFINURTPH-LJQANCHMSA-N 1 3 324.553 4.026 20 0 DIADHO CCCC[C@@H](CC)CN1CC2(C1)CCC[N@@H+](CCOC(C)C)C2 ZINC001280081505 1064380385 /nfs/dbraw/zinc/38/03/85/1064380385.db2.gz SKKNNTFINURTPH-LJQANCHMSA-N 1 3 324.553 4.026 20 0 DIADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC001307477721 1065423304 /nfs/dbraw/zinc/42/33/04/1065423304.db2.gz NJFAUHLMXASUTG-BWPNAZKDSA-N 1 3 304.522 4.009 20 0 DIADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC001307477721 1065423309 /nfs/dbraw/zinc/42/33/09/1065423309.db2.gz NJFAUHLMXASUTG-BWPNAZKDSA-N 1 3 304.522 4.009 20 0 DIADHO Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c(C)c1 ZINC001307524793 1065462893 /nfs/dbraw/zinc/46/28/93/1065462893.db2.gz ZUJFNALSTLCEBI-IPMKNSEASA-N 1 3 300.490 4.089 20 0 DIADHO Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c(C)c1 ZINC001307524793 1065462898 /nfs/dbraw/zinc/46/28/98/1065462898.db2.gz ZUJFNALSTLCEBI-IPMKNSEASA-N 1 3 300.490 4.089 20 0 DIADHO C[N@@H+]1CCC[C@@H]1CCN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC001307628305 1065526793 /nfs/dbraw/zinc/52/67/93/1065526793.db2.gz HERCSQBENOXXCE-MSOLQXFVSA-N 1 3 306.881 4.255 20 0 DIADHO C[N@H+]1CCC[C@@H]1CCN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC001307628305 1065526805 /nfs/dbraw/zinc/52/68/05/1065526805.db2.gz HERCSQBENOXXCE-MSOLQXFVSA-N 1 3 306.881 4.255 20 0 DIADHO CN1CCC[C@@H]1CC[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC001307628305 1065526814 /nfs/dbraw/zinc/52/68/14/1065526814.db2.gz HERCSQBENOXXCE-MSOLQXFVSA-N 1 3 306.881 4.255 20 0 DIADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)C1CCCCC1 ZINC001307670003 1065554063 /nfs/dbraw/zinc/55/40/63/1065554063.db2.gz OXQMRPXTUVULGV-AOIWGVFYSA-N 1 3 306.538 4.445 20 0 DIADHO C[C@@H](c1ccccc1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001307764742 1065611091 /nfs/dbraw/zinc/61/10/91/1065611091.db2.gz ZGUGKUFYRNINAG-SIKLNZKXSA-N 1 3 320.480 4.346 20 0 DIADHO C[C@@H](c1ccccc1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001307764742 1065611095 /nfs/dbraw/zinc/61/10/95/1065611095.db2.gz ZGUGKUFYRNINAG-SIKLNZKXSA-N 1 3 320.480 4.346 20 0 DIADHO C[C@H](c1ccccc1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001307764740 1065611414 /nfs/dbraw/zinc/61/14/14/1065611414.db2.gz ZGUGKUFYRNINAG-DENIHFKCSA-N 1 3 320.480 4.346 20 0 DIADHO C[C@H](c1ccccc1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001307764740 1065611448 /nfs/dbraw/zinc/61/14/48/1065611448.db2.gz ZGUGKUFYRNINAG-DENIHFKCSA-N 1 3 320.480 4.346 20 0 DIADHO Cc1ccccc1-c1cccc(C[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC001308465576 1066006592 /nfs/dbraw/zinc/00/65/92/1066006592.db2.gz QWOJDAMDSYWEAI-HXUWFJFHSA-N 1 3 322.496 4.484 20 0 DIADHO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC001308589573 1066103908 /nfs/dbraw/zinc/10/39/08/1066103908.db2.gz HBCCEMCRJPGIPU-PWRODBHTSA-N 1 3 318.549 4.423 20 0 DIADHO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC001308589573 1066103913 /nfs/dbraw/zinc/10/39/13/1066103913.db2.gz HBCCEMCRJPGIPU-PWRODBHTSA-N 1 3 318.549 4.423 20 0 DIADHO C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001308634203 1066129263 /nfs/dbraw/zinc/12/92/63/1066129263.db2.gz GDEAACGREIMYDS-QYRPDUKASA-N 1 3 312.501 4.065 20 0 DIADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C4CCCCC4)[C@@H]3C2)cc1 ZINC001308636365 1066131513 /nfs/dbraw/zinc/13/15/13/1066131513.db2.gz ZRLGMWZMVCKNMO-TYPHKJRUSA-N 1 3 312.501 4.209 20 0 DIADHO CC/C=C\CNC[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001308782449 1066254679 /nfs/dbraw/zinc/25/46/79/1066254679.db2.gz NYQMHSHHLIXBOZ-PNWMKBJFSA-N 1 3 314.517 4.481 20 0 DIADHO CC/C=C\CNC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001308782449 1066254696 /nfs/dbraw/zinc/25/46/96/1066254696.db2.gz NYQMHSHHLIXBOZ-PNWMKBJFSA-N 1 3 314.517 4.481 20 0 DIADHO CC/C=C\C[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001308782449 1066254707 /nfs/dbraw/zinc/25/47/07/1066254707.db2.gz NYQMHSHHLIXBOZ-PNWMKBJFSA-N 1 3 314.517 4.481 20 0 DIADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001308863992 1066343286 /nfs/dbraw/zinc/34/32/86/1066343286.db2.gz OPQUYGDXAZVQLL-ATZDWAIDSA-N 1 3 320.908 4.298 20 0 DIADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C1 ZINC001308863905 1066345362 /nfs/dbraw/zinc/34/53/62/1066345362.db2.gz ODCOYFDWBVPELX-YZGWKJHDSA-N 1 3 300.490 4.034 20 0 DIADHO CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+]CC[C@@H](C)N(C)C)cc1 ZINC001308881962 1066363119 /nfs/dbraw/zinc/36/31/19/1066363119.db2.gz BGTKCMTYNTZWOO-KURKYZTESA-N 1 3 304.522 4.307 20 0 DIADHO C[C@@H](CC[NH2+]CCCCc1ccc(Cl)c(Cl)c1)N(C)C ZINC001308882330 1066363631 /nfs/dbraw/zinc/36/36/31/1066363631.db2.gz GFSVOQFYKQZQIW-ZDUSSCGKSA-N 1 3 317.304 4.246 20 0 DIADHO C[C@@H](CC1CCCCC1)C[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC001308920107 1066400273 /nfs/dbraw/zinc/40/02/73/1066400273.db2.gz ZJXDFJGOBGTCMB-ZWKOTPCHSA-N 1 3 315.505 4.199 20 0 DIADHO C[C@@H](CC1CCCCC1)C[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC001308920107 1066400277 /nfs/dbraw/zinc/40/02/77/1066400277.db2.gz ZJXDFJGOBGTCMB-ZWKOTPCHSA-N 1 3 315.505 4.199 20 0 DIADHO CCC[NH+]1CCC(N(C)C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000525865342 335033834 /nfs/dbraw/zinc/03/38/34/335033834.db2.gz OELFKCYAJGQAJQ-HNNXBMFYSA-N 1 3 308.897 4.250 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCCc3ccc(O)cc32)c1 ZINC000284133189 131052413 /nfs/dbraw/zinc/05/24/13/131052413.db2.gz OHXYDCNDRRUELU-NRFANRHFSA-N 1 3 324.468 4.011 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCCc3ccc(O)cc32)c1 ZINC000284133189 131052415 /nfs/dbraw/zinc/05/24/15/131052415.db2.gz OHXYDCNDRRUELU-NRFANRHFSA-N 1 3 324.468 4.011 20 0 DIADHO c1c2ccccc2sc1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297315473 132009672 /nfs/dbraw/zinc/00/96/72/132009672.db2.gz BZAPKJLJORRJLF-UHFFFAOYSA-N 1 3 323.465 4.055 20 0 DIADHO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000297799249 132034899 /nfs/dbraw/zinc/03/48/99/132034899.db2.gz XGRGBOJFYWLMNG-MRXNPFEDSA-N 1 3 321.468 4.026 20 0 DIADHO Cc1cccc([C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)c1C ZINC000298229844 132051620 /nfs/dbraw/zinc/05/16/20/132051620.db2.gz BEBXCXXNOOKYKK-QGZVFWFLSA-N 1 3 309.457 4.018 20 0 DIADHO Cc1cc([C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)c(C)s1 ZINC000298484434 132065431 /nfs/dbraw/zinc/06/54/31/132065431.db2.gz PONCRQSNQPAEQV-CQSZACIVSA-N 1 3 315.486 4.080 20 0 DIADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(F)c(Cl)c1 ZINC000171130428 332857348 /nfs/dbraw/zinc/85/73/48/332857348.db2.gz GZIXLZXGTNCDHQ-ZDUSSCGKSA-N 1 3 320.839 4.392 20 0 DIADHO N[C@@H]1CCC[C@H]([NH2+]CCC(c2ccccc2)c2ccccc2)C1 ZINC000580212678 333012885 /nfs/dbraw/zinc/01/28/85/333012885.db2.gz UIBIBPMECUQOJI-UXHICEINSA-N 1 3 308.469 4.068 20 0 DIADHO c1cc(C2CCCC2)ccc1C[NH2+]C1CC(N2CCCCC2)C1 ZINC000462915869 333131410 /nfs/dbraw/zinc/13/14/10/333131410.db2.gz XFIPWRACTRMVBL-UHFFFAOYSA-N 1 3 312.501 4.451 20 0 DIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)c2cccs2)c1 ZINC000177977268 333133751 /nfs/dbraw/zinc/13/37/51/333133751.db2.gz HCURGTQTJVSQNL-HNNXBMFYSA-N 1 3 302.487 4.439 20 0 DIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2cccs2)c1 ZINC000177977268 333133753 /nfs/dbraw/zinc/13/37/53/333133753.db2.gz HCURGTQTJVSQNL-HNNXBMFYSA-N 1 3 302.487 4.439 20 0 DIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)c1ccsc1 ZINC000178012684 333134420 /nfs/dbraw/zinc/13/44/20/333134420.db2.gz DMUVPTYNDPHVOM-HNNXBMFYSA-N 1 3 302.487 4.439 20 0 DIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)c1ccsc1 ZINC000178012684 333134422 /nfs/dbraw/zinc/13/44/22/333134422.db2.gz DMUVPTYNDPHVOM-HNNXBMFYSA-N 1 3 302.487 4.439 20 0 DIADHO c1ccc(C[N@H+]2CC[C@H](CN[C@H]3CCCc4ccccc43)C2)cc1 ZINC000310090907 333217875 /nfs/dbraw/zinc/21/78/75/333217875.db2.gz RAKAELLFKSZUAY-KNQAVFIVSA-N 1 3 320.480 4.176 20 0 DIADHO c1ccc(C[N@@H+]2CC[C@H](CN[C@H]3CCCc4ccccc43)C2)cc1 ZINC000310090907 333217877 /nfs/dbraw/zinc/21/78/77/333217877.db2.gz RAKAELLFKSZUAY-KNQAVFIVSA-N 1 3 320.480 4.176 20 0 DIADHO CCC[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccn1 ZINC000500645298 333251736 /nfs/dbraw/zinc/25/17/36/333251736.db2.gz CLWFLRPPHCXRJA-QRVBRYPASA-N 1 3 317.521 4.271 20 0 DIADHO FC1(F)CCC[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000502315446 333288995 /nfs/dbraw/zinc/28/89/95/333288995.db2.gz ABHHHLLUAPBELR-OAHLLOKOSA-N 1 3 314.464 4.199 20 0 DIADHO CC(C)[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cn1 ZINC000497850381 333301127 /nfs/dbraw/zinc/30/11/27/333301127.db2.gz ZDQDBMKTIKRGCS-LPHOPBHVSA-N 1 3 321.484 4.162 20 0 DIADHO CC(C)[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)cn1 ZINC000497850381 333301129 /nfs/dbraw/zinc/30/11/29/333301129.db2.gz ZDQDBMKTIKRGCS-LPHOPBHVSA-N 1 3 321.484 4.162 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CS1 ZINC000488453578 333379090 /nfs/dbraw/zinc/37/90/90/333379090.db2.gz WTCFBEOMXFTERR-SJLPKXTDSA-N 1 3 324.578 4.293 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)CS1 ZINC000488453578 333379091 /nfs/dbraw/zinc/37/90/91/333379091.db2.gz WTCFBEOMXFTERR-SJLPKXTDSA-N 1 3 324.578 4.293 20 0 DIADHO CCC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000319882287 333415346 /nfs/dbraw/zinc/41/53/46/333415346.db2.gz XAVXFOXKTQABFW-FQEVSTJZSA-N 1 3 309.457 4.181 20 0 DIADHO CC[C@H]1CCC[C@@H]1[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000531694935 333546541 /nfs/dbraw/zinc/54/65/41/333546541.db2.gz NZLCMJHVWXXKFT-WMZOPIPTSA-N 1 3 306.519 4.128 20 0 DIADHO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000392003957 335149942 /nfs/dbraw/zinc/14/99/42/335149942.db2.gz RGMMSTLUDPSMOY-KTIPNOMGSA-N 1 3 312.501 4.175 20 0 DIADHO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000392003957 335149944 /nfs/dbraw/zinc/14/99/44/335149944.db2.gz RGMMSTLUDPSMOY-KTIPNOMGSA-N 1 3 312.501 4.175 20 0 DIADHO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000392003957 335149946 /nfs/dbraw/zinc/14/99/46/335149946.db2.gz RGMMSTLUDPSMOY-KTIPNOMGSA-N 1 3 312.501 4.175 20 0 DIADHO C[C@H](C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)CC(F)(F)F ZINC000414284096 333933437 /nfs/dbraw/zinc/93/34/37/333933437.db2.gz QBZBDTZZUHRCLO-IJEWVQPXSA-N 1 3 320.443 4.208 20 0 DIADHO C[C@@H]1C[C@H](CN(Cc2cccs2)Cc2cccs2)CC[NH2+]1 ZINC000414684854 334068695 /nfs/dbraw/zinc/06/86/95/334068695.db2.gz XABZRSAFGIPMMJ-HUUCEWRRSA-N 1 3 320.527 4.200 20 0 DIADHO CC1CC[NH+](CCCCNCc2ccc(Cl)cc2F)CC1 ZINC000438092530 334088782 /nfs/dbraw/zinc/08/87/82/334088782.db2.gz JUJSOKWNFVVHRI-UHFFFAOYSA-N 1 3 312.860 4.081 20 0 DIADHO CCCCOc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414811617 334105915 /nfs/dbraw/zinc/10/59/15/334105915.db2.gz PYCGJGZSMIEEOO-MRXNPFEDSA-N 1 3 312.457 4.175 20 0 DIADHO C[C@@H](NCc1ccc(-c2ccc(F)cc2)s1)[C@@H]1CCC[NH2+]C1 ZINC000414856582 334129729 /nfs/dbraw/zinc/12/97/29/334129729.db2.gz OLQBLSQCJQODEV-UKRRQHHQSA-N 1 3 318.461 4.032 20 0 DIADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1nccc2ccccc21 ZINC000289801437 334168042 /nfs/dbraw/zinc/16/80/42/334168042.db2.gz OYEIDUJODDORAF-INIZCTEOSA-N 1 3 319.452 4.147 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000582149471 334273579 /nfs/dbraw/zinc/27/35/79/334273579.db2.gz NAVVYHVBBJFKSU-UXHICEINSA-N 1 3 302.506 4.108 20 0 DIADHO CCC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000582149472 334273662 /nfs/dbraw/zinc/27/36/62/334273662.db2.gz NAVVYHVBBJFKSU-VQTJNVASSA-N 1 3 302.506 4.108 20 0 DIADHO CC(C)(CCC[NH3+])NCc1ccc(-c2ccccc2)cc1F ZINC000415017200 334258756 /nfs/dbraw/zinc/25/87/56/334258756.db2.gz RKEQMBYPOJSFSG-UHFFFAOYSA-N 1 3 300.421 4.100 20 0 DIADHO Cc1ccc(CN[C@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000415051377 334258934 /nfs/dbraw/zinc/25/89/34/334258934.db2.gz JNPCFHLIDUJUNZ-GOSISDBHSA-N 1 3 302.849 4.218 20 0 DIADHO Cc1cc(Cl)ccc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000415059965 334262107 /nfs/dbraw/zinc/26/21/07/334262107.db2.gz VRNKRSSXAIVGSQ-SFHVURJKSA-N 1 3 302.849 4.218 20 0 DIADHO Cc1oc2ccccc2c1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000415059719 334262155 /nfs/dbraw/zinc/26/21/55/334262155.db2.gz VOUIMURZLZLXDF-IBGZPJMESA-N 1 3 308.425 4.311 20 0 DIADHO C[C@@H](N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000415117070 334284001 /nfs/dbraw/zinc/28/40/01/334284001.db2.gz FWALRRLGILVVJB-NIKGAXFTSA-N 1 3 314.860 4.484 20 0 DIADHO C[NH+](C)Cc1cccc(CN[C@@H](CC2CC2)c2ccccc2)c1 ZINC000531942499 334302303 /nfs/dbraw/zinc/30/23/03/334302303.db2.gz VSTOKGASHSVCTR-NRFANRHFSA-N 1 3 308.469 4.379 20 0 DIADHO CN(C)Cc1cccc(C[NH2+][C@@H](CC2CC2)c2ccccc2)c1 ZINC000531942499 334302305 /nfs/dbraw/zinc/30/23/05/334302305.db2.gz VSTOKGASHSVCTR-NRFANRHFSA-N 1 3 308.469 4.379 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000531957758 334313934 /nfs/dbraw/zinc/31/39/34/334313934.db2.gz FDXDLQVMZOMESF-UYAOXDASSA-N 1 3 300.490 4.238 20 0 DIADHO CC(C)[N@@H+]1CCC[C@H](CN[C@H](CC2CC2)c2ccccc2)C1 ZINC000531957758 334313936 /nfs/dbraw/zinc/31/39/36/334313936.db2.gz FDXDLQVMZOMESF-UYAOXDASSA-N 1 3 300.490 4.238 20 0 DIADHO CC(C)[N@H+]1CCC[C@H](CN[C@H](CC2CC2)c2ccccc2)C1 ZINC000531957758 334313937 /nfs/dbraw/zinc/31/39/37/334313937.db2.gz FDXDLQVMZOMESF-UYAOXDASSA-N 1 3 300.490 4.238 20 0 DIADHO C[C@@H](c1ccccc1)[NH+]1CCC(N[C@@H]2CCc3ccccc32)CC1 ZINC000531967587 334326472 /nfs/dbraw/zinc/32/64/72/334326472.db2.gz GTLUSFQTDBFSRC-HTAPYJJXSA-N 1 3 320.480 4.489 20 0 DIADHO COc1ccc([C@@H](CCC(C)C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000531972454 334336736 /nfs/dbraw/zinc/33/67/36/334336736.db2.gz YYSCOLBQWBYDOV-FXAWDEMLSA-N 1 3 318.505 4.104 20 0 DIADHO COc1ccc([C@@H](CCC(C)C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000531972454 334336738 /nfs/dbraw/zinc/33/67/38/334336738.db2.gz YYSCOLBQWBYDOV-FXAWDEMLSA-N 1 3 318.505 4.104 20 0 DIADHO C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000531988793 334364027 /nfs/dbraw/zinc/36/40/27/334364027.db2.gz SBKARNGXJPKJEH-BLIXFSHQSA-N 1 3 308.469 4.317 20 0 DIADHO C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000531988793 334364028 /nfs/dbraw/zinc/36/40/28/334364028.db2.gz SBKARNGXJPKJEH-BLIXFSHQSA-N 1 3 308.469 4.317 20 0 DIADHO C[C@@H]1C[C@H](N[C@@H](CC2CC2)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000345283792 335313633 /nfs/dbraw/zinc/31/36/33/335313633.db2.gz BLCZVFVILVNPOV-XWIAVFTESA-N 1 3 306.881 4.254 20 0 DIADHO C[C@@H]1C[C@H](N[C@@H](CC2CC2)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000345283792 335313635 /nfs/dbraw/zinc/31/36/35/335313635.db2.gz BLCZVFVILVNPOV-XWIAVFTESA-N 1 3 306.881 4.254 20 0 DIADHO CN1CC=C(C[NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000345286923 335314009 /nfs/dbraw/zinc/31/40/09/335314009.db2.gz FOGGYSSSTMOHHQ-SFHVURJKSA-N 1 3 304.865 4.033 20 0 DIADHO CCCCN1CCC([NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000532491472 336250472 /nfs/dbraw/zinc/25/04/72/336250472.db2.gz CIGWYHSLEIYUGA-GOSISDBHSA-N 1 3 306.881 4.181 20 0 DIADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000532505378 336252781 /nfs/dbraw/zinc/25/27/81/336252781.db2.gz IDQXNACWUYELNY-MSOLQXFVSA-N 1 3 324.468 4.471 20 0 DIADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000532505378 336252782 /nfs/dbraw/zinc/25/27/82/336252782.db2.gz IDQXNACWUYELNY-MSOLQXFVSA-N 1 3 324.468 4.471 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccccc1C(F)(F)F ZINC000532550985 336256171 /nfs/dbraw/zinc/25/61/71/336256171.db2.gz INSNGDFKTCNZDL-MJBXVCDLSA-N 1 3 314.395 4.229 20 0 DIADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccccc1C(F)(F)F ZINC000532550984 336256314 /nfs/dbraw/zinc/25/63/14/336256314.db2.gz INSNGDFKTCNZDL-MELADBBJSA-N 1 3 314.395 4.229 20 0 DIADHO Clc1ccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000192917843 336284361 /nfs/dbraw/zinc/28/43/61/336284361.db2.gz PGRAGIKLYSKGTL-OAHLLOKOSA-N 1 3 320.889 4.013 20 0 DIADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2cccc(O)c2)cc1 ZINC000192938408 336285244 /nfs/dbraw/zinc/28/52/44/336285244.db2.gz APXDYCAJRODDGD-MRXNPFEDSA-N 1 3 312.457 4.085 20 0 DIADHO CCCc1cc(N2CCC([NH+]3CCCC3)CC2)c2ccccc2n1 ZINC000301779397 336329239 /nfs/dbraw/zinc/32/92/39/336329239.db2.gz IEQVANGCTGEVGU-UHFFFAOYSA-N 1 3 323.484 4.252 20 0 DIADHO CCCOc1ccc([C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000193929020 337080691 /nfs/dbraw/zinc/08/06/91/337080691.db2.gz GWIGJYYGIZRNJW-INIZCTEOSA-N 1 3 318.505 4.389 20 0 DIADHO CC(C)CN1CCC[C@H](C[NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000582466423 337093486 /nfs/dbraw/zinc/09/34/86/337093486.db2.gz QGAUOKCNBWFLLJ-RBUKOAKNSA-N 1 3 302.506 4.138 20 0 DIADHO CC(C)C[N@@H+]1CCC[C@H](CNCC[C@H](C)c2ccccc2)C1 ZINC000582466423 337093487 /nfs/dbraw/zinc/09/34/87/337093487.db2.gz QGAUOKCNBWFLLJ-RBUKOAKNSA-N 1 3 302.506 4.138 20 0 DIADHO CC(C)C[N@H+]1CCC[C@H](CNCC[C@H](C)c2ccccc2)C1 ZINC000582466423 337093488 /nfs/dbraw/zinc/09/34/88/337093488.db2.gz QGAUOKCNBWFLLJ-RBUKOAKNSA-N 1 3 302.506 4.138 20 0 DIADHO Cc1nc(C)c([C@@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)s1 ZINC000183190894 337190274 /nfs/dbraw/zinc/19/02/74/337190274.db2.gz LIQDORYVKOIOSF-XJKCOSOUSA-N 1 3 321.534 4.064 20 0 DIADHO CC1(C)CC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000395176860 337209105 /nfs/dbraw/zinc/20/91/05/337209105.db2.gz KLFZDWHHHLEMFS-GOSISDBHSA-N 1 3 300.490 4.067 20 0 DIADHO Cc1sccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398020092 337304577 /nfs/dbraw/zinc/30/45/77/337304577.db2.gz JPKFGJFMNGBCPS-HNAYVOBHSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1sccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398020092 337304578 /nfs/dbraw/zinc/30/45/78/337304578.db2.gz JPKFGJFMNGBCPS-HNAYVOBHSA-N 1 3 314.498 4.057 20 0 DIADHO CCCC[N@H+](C)CC1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000520791673 337390940 /nfs/dbraw/zinc/39/09/40/337390940.db2.gz WEYQMEARWYEWKJ-INIZCTEOSA-N 1 3 306.469 4.331 20 0 DIADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000520791673 337390941 /nfs/dbraw/zinc/39/09/41/337390941.db2.gz WEYQMEARWYEWKJ-INIZCTEOSA-N 1 3 306.469 4.331 20 0 DIADHO C[C@H](NCC[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000420404628 337500755 /nfs/dbraw/zinc/50/07/55/337500755.db2.gz MKSPTVXMGIQCMA-RYUDHWBXSA-N 1 3 301.261 4.034 20 0 DIADHO CCC[C@@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)C1CCCCC1 ZINC000422718258 337683881 /nfs/dbraw/zinc/68/38/81/337683881.db2.gz WTXNHKPFMVOXNO-HNAYVOBHSA-N 1 3 303.494 4.248 20 0 DIADHO Cc1ccsc1[C@H](Cc1ccccc1)N[C@@H]1CCC[NH2+]CC1 ZINC000422754094 337685073 /nfs/dbraw/zinc/68/50/73/337685073.db2.gz DQYAEMBCMPYGIS-MSOLQXFVSA-N 1 3 314.498 4.072 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000422769017 337685588 /nfs/dbraw/zinc/68/55/88/337685588.db2.gz SNGIMMVRRMUPLF-JXFKEZNVSA-N 1 3 311.473 4.287 20 0 DIADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Sc1ccccc1 ZINC000422781586 337686400 /nfs/dbraw/zinc/68/64/00/337686400.db2.gz FJJSJFFKMHBPQI-XGXHKWSGSA-N 1 3 318.530 4.068 20 0 DIADHO CC[C@H](N[C@H](C)CCCC[NH3+])c1ccccc1Br ZINC000422893930 337690363 /nfs/dbraw/zinc/69/03/63/337690363.db2.gz RNXRLPTZPYXOIJ-DOMZBBRYSA-N 1 3 313.283 4.007 20 0 DIADHO CC(C)[C@H](N[C@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000422908814 337691003 /nfs/dbraw/zinc/69/10/03/337691003.db2.gz ZJSLCSAPCLCXAQ-HOTGVXAUSA-N 1 3 314.395 4.134 20 0 DIADHO C[C@H](CCC[NH3+])N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000422931238 337692132 /nfs/dbraw/zinc/69/21/32/337692132.db2.gz BFKCKACMISLMFP-KDOFPFPSSA-N 1 3 302.849 4.146 20 0 DIADHO [NH3+]C1CCC(N[C@@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000423216879 337704955 /nfs/dbraw/zinc/70/49/55/337704955.db2.gz PHIWTUAIZLTPCA-NWGYLPEXSA-N 1 3 319.301 4.292 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1c2ccccc2CCC[C@@H]1C ZINC000423049510 337697106 /nfs/dbraw/zinc/69/71/06/337697106.db2.gz JWUSOUVEXHEFET-WDUKFBBWSA-N 1 3 323.484 4.213 20 0 DIADHO CC[C@@H](CSc1ccc(C)c(C)c1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423002994 337697386 /nfs/dbraw/zinc/69/73/86/337697386.db2.gz KKUHKAHLPHHYKA-XNHLSEOASA-N 1 3 318.530 4.047 20 0 DIADHO Cc1ccccc1[C@H](CC(F)(F)F)N[C@H](C)CCCC[NH3+] ZINC000423086334 337698734 /nfs/dbraw/zinc/69/87/34/337698734.db2.gz LRJJLYAJRKLVAP-HIFRSBDPSA-N 1 3 302.384 4.096 20 0 DIADHO FC1(F)CCCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000423133227 337701071 /nfs/dbraw/zinc/70/10/71/337701071.db2.gz PXHBOFFBZMVVTG-MWDXBVQZSA-N 1 3 314.464 4.102 20 0 DIADHO Clc1cccc([C@H]2CCC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000423167290 337702253 /nfs/dbraw/zinc/70/22/53/337702253.db2.gz RYGWLMZGOWNGNR-BCYDPGGGSA-N 1 3 318.892 4.239 20 0 DIADHO C[C@H]([NH3+])CCN[C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000423225660 337705700 /nfs/dbraw/zinc/70/57/00/337705700.db2.gz NRUJHAKJSIZFRF-WFASDCNBSA-N 1 3 308.878 4.012 20 0 DIADHO C[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1cc(Cl)sc1Cl ZINC000423261400 337708008 /nfs/dbraw/zinc/70/80/08/337708008.db2.gz SDTCOGWLWOIBFU-ZJUUUORDSA-N 1 3 307.290 4.095 20 0 DIADHO Cc1cc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc(C)c1F ZINC000423293273 337710504 /nfs/dbraw/zinc/71/05/04/337710504.db2.gz QQGBADANAYUDOT-HUUCEWRRSA-N 1 3 300.421 4.313 20 0 DIADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000423294776 337710686 /nfs/dbraw/zinc/71/06/86/337710686.db2.gz VJDHIHDNYUBDJK-SGTLLEGYSA-N 1 3 300.833 4.137 20 0 DIADHO C[C@@H](NCC1(C)CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000423338789 337712720 /nfs/dbraw/zinc/71/27/20/337712720.db2.gz UXWLVKAVZBVQCG-LLVKDONJSA-N 1 3 301.261 4.034 20 0 DIADHO C[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C(c1ccccc1)c1ccccc1 ZINC000423367577 337714940 /nfs/dbraw/zinc/71/49/40/337714940.db2.gz CUMVWFCUWLVNOZ-VDGAXYAQSA-N 1 3 308.469 4.067 20 0 DIADHO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423399747 337715537 /nfs/dbraw/zinc/71/55/37/337715537.db2.gz UXYFDIDNFOJHKE-INIZCTEOSA-N 1 3 308.469 4.136 20 0 DIADHO C[C@H](CCCC[NH3+])N[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000423426251 337717074 /nfs/dbraw/zinc/71/70/74/337717074.db2.gz HNBNZPDROOGMRE-MNOVXSKESA-N 1 3 320.811 4.110 20 0 DIADHO C[C@H](NC[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(Cl)c1Cl ZINC000423459258 337720494 /nfs/dbraw/zinc/72/04/94/337720494.db2.gz LFZPKZJWCKIFDQ-QJPTWQEYSA-N 1 3 301.261 4.162 20 0 DIADHO C[C@H](CCC[NH3+])N[C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000423462072 337720608 /nfs/dbraw/zinc/72/06/08/337720608.db2.gz UDPDUDOKBINADI-PSASIEDQSA-N 1 3 307.290 4.149 20 0 DIADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cc(F)cc(F)c1 ZINC000423494292 337722813 /nfs/dbraw/zinc/72/28/13/337722813.db2.gz APVINRBACIXKCQ-ACJLOTCBSA-N 1 3 304.384 4.096 20 0 DIADHO CC[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1OC ZINC000423514416 337724085 /nfs/dbraw/zinc/72/40/85/337724085.db2.gz WMMOJJRLMKHTGD-RBUKOAKNSA-N 1 3 312.457 4.216 20 0 DIADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000423518039 337724390 /nfs/dbraw/zinc/72/43/90/337724390.db2.gz ZBJASRKLQVGJSG-KBXCAEBGSA-N 1 3 302.849 4.471 20 0 DIADHO [NH3+]CCC[C@H](N[C@@H]1CCCc2ccc(F)cc21)c1ccccc1 ZINC000423525085 337724551 /nfs/dbraw/zinc/72/45/51/337724551.db2.gz XVBILPZJEXLNQR-VQTJNVASSA-N 1 3 312.432 4.273 20 0 DIADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(Cl)c1Cl ZINC000423540551 337725232 /nfs/dbraw/zinc/72/52/32/337725232.db2.gz JUYMGWXEFWUDBS-UMSGYPCISA-N 1 3 313.272 4.032 20 0 DIADHO Cc1ccc(C(C)(C)C[NH2+]C2CCN(C(C)(C)C)CC2)c(C)c1 ZINC000426301031 338025517 /nfs/dbraw/zinc/02/55/17/338025517.db2.gz BCTZAOZJEWQDPX-UHFFFAOYSA-N 1 3 316.533 4.434 20 0 DIADHO Cc1ccc(C(C)(C)CNC2CC[NH+](C(C)(C)C)CC2)c(C)c1 ZINC000426301031 338025518 /nfs/dbraw/zinc/02/55/18/338025518.db2.gz BCTZAOZJEWQDPX-UHFFFAOYSA-N 1 3 316.533 4.434 20 0 DIADHO C[C@H](c1ccc(C(C)(C)C)cc1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000428994322 338068259 /nfs/dbraw/zinc/06/82/59/338068259.db2.gz BJQXRVDHKWXREZ-UZLBHIALSA-N 1 3 300.490 4.073 20 0 DIADHO C[C@H](c1ccc(C(C)(C)C)cc1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000428994322 338068260 /nfs/dbraw/zinc/06/82/60/338068260.db2.gz BJQXRVDHKWXREZ-UZLBHIALSA-N 1 3 300.490 4.073 20 0 DIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@H]3CCC(F)(F)C3)CC2)C1 ZINC000430750213 338113479 /nfs/dbraw/zinc/11/34/79/338113479.db2.gz MXZHSPMMBOAETE-INMHGKMJSA-N 1 3 314.464 4.055 20 0 DIADHO CC[NH+](CC)C[C@H]1CCN([C@H](C)CCSc2ccccc2)C1 ZINC000431606569 338134572 /nfs/dbraw/zinc/13/45/72/338134572.db2.gz FNMNEBOERJVBRP-QZTJIDSGSA-N 1 3 320.546 4.221 20 0 DIADHO CCN(CC)C[C@H]1CC[N@@H+]([C@H](C)CCSc2ccccc2)C1 ZINC000431606569 338134573 /nfs/dbraw/zinc/13/45/73/338134573.db2.gz FNMNEBOERJVBRP-QZTJIDSGSA-N 1 3 320.546 4.221 20 0 DIADHO CCN(CC)C[C@H]1CC[N@H+]([C@H](C)CCSc2ccccc2)C1 ZINC000431606569 338134574 /nfs/dbraw/zinc/13/45/74/338134574.db2.gz FNMNEBOERJVBRP-QZTJIDSGSA-N 1 3 320.546 4.221 20 0 DIADHO CC[NH+](CC)C[C@@H]1CCN([C@H](C)CCSc2ccccc2)C1 ZINC000431606568 338134631 /nfs/dbraw/zinc/13/46/31/338134631.db2.gz FNMNEBOERJVBRP-MSOLQXFVSA-N 1 3 320.546 4.221 20 0 DIADHO CCN(CC)C[C@@H]1CC[N@@H+]([C@H](C)CCSc2ccccc2)C1 ZINC000431606568 338134632 /nfs/dbraw/zinc/13/46/32/338134632.db2.gz FNMNEBOERJVBRP-MSOLQXFVSA-N 1 3 320.546 4.221 20 0 DIADHO CCN(CC)C[C@@H]1CC[N@H+]([C@H](C)CCSc2ccccc2)C1 ZINC000431606568 338134633 /nfs/dbraw/zinc/13/46/33/338134633.db2.gz FNMNEBOERJVBRP-MSOLQXFVSA-N 1 3 320.546 4.221 20 0 DIADHO CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)CCSc2ccccc2)C1 ZINC000431609978 338134680 /nfs/dbraw/zinc/13/46/80/338134680.db2.gz PGJUNPAIDJMSQL-ROUUACIJSA-N 1 3 320.546 4.221 20 0 DIADHO CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)CCSc2ccccc2)C1 ZINC000431609978 338134681 /nfs/dbraw/zinc/13/46/81/338134681.db2.gz PGJUNPAIDJMSQL-ROUUACIJSA-N 1 3 320.546 4.221 20 0 DIADHO CCCN(C)C[C@@H]1CC[N@@H+]([C@@H](C)CCSc2ccccc2)C1 ZINC000431609978 338134682 /nfs/dbraw/zinc/13/46/82/338134682.db2.gz PGJUNPAIDJMSQL-ROUUACIJSA-N 1 3 320.546 4.221 20 0 DIADHO CCCN(C)C[C@@H]1CC[N@H+]([C@@H](C)CCSc2ccccc2)C1 ZINC000431609978 338134683 /nfs/dbraw/zinc/13/46/83/338134683.db2.gz PGJUNPAIDJMSQL-ROUUACIJSA-N 1 3 320.546 4.221 20 0 DIADHO CC1(C)CCc2ccccc2[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000436307935 338268237 /nfs/dbraw/zinc/26/82/37/338268237.db2.gz OTVQBBKUBNIBOY-NLWGTHIKSA-N 1 3 312.501 4.307 20 0 DIADHO CC1(C)CCc2ccccc2[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000436307935 338268238 /nfs/dbraw/zinc/26/82/38/338268238.db2.gz OTVQBBKUBNIBOY-NLWGTHIKSA-N 1 3 312.501 4.307 20 0 DIADHO CC(C)[C@H](CC(F)(F)F)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000437106064 338301243 /nfs/dbraw/zinc/30/12/43/338301243.db2.gz FXAVEAPTSCJQHL-INIZCTEOSA-N 1 3 320.443 4.350 20 0 DIADHO C[C@]1(c2ccccc2)CC[C@H](N2CCC([NH+]3CCCC3)CC2)C1 ZINC000437585338 338314988 /nfs/dbraw/zinc/31/49/88/338314988.db2.gz VSTFJKMHXSVYEV-SFTDATJTSA-N 1 3 312.501 4.057 20 0 DIADHO C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCC(N3CCCC3)CC2)C1 ZINC000437585338 338314989 /nfs/dbraw/zinc/31/49/89/338314989.db2.gz VSTFJKMHXSVYEV-SFTDATJTSA-N 1 3 312.501 4.057 20 0 DIADHO CCCN(C)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000438109472 338332182 /nfs/dbraw/zinc/33/21/82/338332182.db2.gz OILQFDJLBUDPRC-CEWLAPEOSA-N 1 3 314.517 4.161 20 0 DIADHO CCCN(C)C[C@@H]1CC[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000438109472 338332183 /nfs/dbraw/zinc/33/21/83/338332183.db2.gz OILQFDJLBUDPRC-CEWLAPEOSA-N 1 3 314.517 4.161 20 0 DIADHO C[C@@H]1C[C@H](C[NH2+]C2CCN(C(C)(C)CC(C)(C)C)CC2)CCO1 ZINC000449251453 338606858 /nfs/dbraw/zinc/60/68/58/338606858.db2.gz ODGZJJFWGIDVCN-IAGOWNOFSA-N 1 3 324.553 4.070 20 0 DIADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CCCC(C)(F)F)CC2)C1 ZINC000449349821 338616284 /nfs/dbraw/zinc/61/62/84/338616284.db2.gz IGTBICLDVIURMS-GOEBONIOSA-N 1 3 302.453 4.055 20 0 DIADHO CC[C@H](NCc1ccccc1C[NH+](CC)CC)c1ccncc1 ZINC000453087425 338792298 /nfs/dbraw/zinc/79/22/98/338792298.db2.gz NXNUFLSJALCIIA-FQEVSTJZSA-N 1 3 311.473 4.164 20 0 DIADHO c1sc2ccccc2c1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459395093 339026943 /nfs/dbraw/zinc/02/69/43/339026943.db2.gz TZNUUNWYMIOAMA-UHFFFAOYSA-N 1 3 323.465 4.055 20 0 DIADHO c1ccc([C@H]([NH2+]C2CCN(c3ccncc3)CC2)C2CCC2)cc1 ZINC000459395931 339026956 /nfs/dbraw/zinc/02/69/56/339026956.db2.gz DGNXRKMBERFTNS-NRFANRHFSA-N 1 3 321.468 4.181 20 0 DIADHO C[C@H]([NH2+]CCc1cccc(Cl)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000459454134 339030210 /nfs/dbraw/zinc/03/02/10/339030210.db2.gz BOPMMIMBTHGXDA-RDJZCZTQSA-N 1 3 320.908 4.125 20 0 DIADHO COC1CCC([NH2+]C2CCN(C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000459669715 339042022 /nfs/dbraw/zinc/04/20/22/339042022.db2.gz DCGQDPPRSBCEQK-UHFFFAOYSA-N 1 3 324.553 4.213 20 0 DIADHO CC(C)[C@@H]1CCc2ccccc2[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000462842929 339093922 /nfs/dbraw/zinc/09/39/22/339093922.db2.gz SXNITHCLPISKIW-VNYTWHDVSA-N 1 3 312.501 4.163 20 0 DIADHO CC(C)[C@@H]1CCc2ccccc2[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000462842929 339093923 /nfs/dbraw/zinc/09/39/23/339093923.db2.gz SXNITHCLPISKIW-VNYTWHDVSA-N 1 3 312.501 4.163 20 0 DIADHO C[C@@H]1[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000463561299 339121341 /nfs/dbraw/zinc/12/13/41/339121341.db2.gz ZNQHGGFBGNRBKT-WBAXXEDZSA-N 1 3 300.490 4.077 20 0 DIADHO C[C@@H]1[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000463561299 339121342 /nfs/dbraw/zinc/12/13/42/339121342.db2.gz ZNQHGGFBGNRBKT-WBAXXEDZSA-N 1 3 300.490 4.077 20 0 DIADHO C[C@H](CCc1ccc(F)cc1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000468511742 339265048 /nfs/dbraw/zinc/26/50/48/339265048.db2.gz OOCPKTHPJGFXEA-CQSZACIVSA-N 1 3 306.469 4.046 20 0 DIADHO C[C@H](CCc1ccc(F)cc1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000468511742 339265049 /nfs/dbraw/zinc/26/50/49/339265049.db2.gz OOCPKTHPJGFXEA-CQSZACIVSA-N 1 3 306.469 4.046 20 0 DIADHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1csc(Cl)c1 ZINC000468848017 339272639 /nfs/dbraw/zinc/27/26/39/339272639.db2.gz GJLQRLMFVQSEGS-LBPRGKRZSA-N 1 3 300.899 4.174 20 0 DIADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(-c2ccccc2Cl)s1 ZINC000469867349 339303241 /nfs/dbraw/zinc/30/32/41/339303241.db2.gz VIYFXMVVXFPBES-QWHCGFSZSA-N 1 3 320.889 4.238 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](C)c2cccc(Cl)c2)C1 ZINC000470354695 339317989 /nfs/dbraw/zinc/31/79/89/339317989.db2.gz RPJQRCXVTQGIHS-JKSUJKDBSA-N 1 3 308.897 4.154 20 0 DIADHO CCCN(C)C[C@@H]1CC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000471024745 339334791 /nfs/dbraw/zinc/33/47/91/339334791.db2.gz DBROTVVJUVITHF-KRWDZBQOSA-N 1 3 320.480 4.420 20 0 DIADHO CCCN(C)C[C@@H]1CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000471024745 339334792 /nfs/dbraw/zinc/33/47/92/339334792.db2.gz DBROTVVJUVITHF-KRWDZBQOSA-N 1 3 320.480 4.420 20 0 DIADHO Cc1ccc2[nH]c(C[N@@H+](C)C3CCN(C(C)C)CC3)cc2c1C ZINC000473143391 339382576 /nfs/dbraw/zinc/38/25/76/339382576.db2.gz XNQRYHRPFQOXSZ-UHFFFAOYSA-N 1 3 313.489 4.089 20 0 DIADHO Cc1ccc2[nH]c(C[N@H+](C)C3CCN(C(C)C)CC3)cc2c1C ZINC000473143391 339382577 /nfs/dbraw/zinc/38/25/77/339382577.db2.gz XNQRYHRPFQOXSZ-UHFFFAOYSA-N 1 3 313.489 4.089 20 0 DIADHO CCN1CC[C@H]([N@H+](C)Cc2cc3c(ccc(C)c3C)[nH]2)C[C@H]1C ZINC000473149863 339383126 /nfs/dbraw/zinc/38/31/26/339383126.db2.gz YJWOYDZULYEXMK-QAPCUYQASA-N 1 3 313.489 4.089 20 0 DIADHO CCN1CC[C@H]([N@@H+](C)Cc2cc3c(ccc(C)c3C)[nH]2)C[C@H]1C ZINC000473149863 339383127 /nfs/dbraw/zinc/38/31/27/339383127.db2.gz YJWOYDZULYEXMK-QAPCUYQASA-N 1 3 313.489 4.089 20 0 DIADHO C[C@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)C1CCC(F)(F)CC1 ZINC000474021515 339397310 /nfs/dbraw/zinc/39/73/10/339397310.db2.gz HHKHZTIFXJCCPX-LBPRGKRZSA-N 1 3 302.453 4.099 20 0 DIADHO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000474877880 339429500 /nfs/dbraw/zinc/42/95/00/339429500.db2.gz IPPGSHKEBUVIJL-RTBURBONSA-N 1 3 315.505 4.102 20 0 DIADHO C[C@H]1Cc2ccccc2[C@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000480146717 339560506 /nfs/dbraw/zinc/56/05/06/339560506.db2.gz NBUJMMIATRVUBZ-JTSKRJEESA-N 1 3 320.480 4.306 20 0 DIADHO CC[NH+]1CCC(CCN[C@@H](C)c2ccc(F)cc2Cl)CC1 ZINC000483736100 339673428 /nfs/dbraw/zinc/67/34/28/339673428.db2.gz RVIDXJCIVDRUCR-ZDUSSCGKSA-N 1 3 312.860 4.252 20 0 DIADHO CC1CC[NH+](C[C@H]2CCCN(CCCc3ccccc3)C2)CC1 ZINC000498818369 340023934 /nfs/dbraw/zinc/02/39/34/340023934.db2.gz PEPNQRJRNRQEDV-NRFANRHFSA-N 1 3 314.517 4.063 20 0 DIADHO CC1CCN(C[C@H]2CCC[N@H+](CCCc3ccccc3)C2)CC1 ZINC000498818369 340023935 /nfs/dbraw/zinc/02/39/35/340023935.db2.gz PEPNQRJRNRQEDV-NRFANRHFSA-N 1 3 314.517 4.063 20 0 DIADHO CC1CCN(C[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)CC1 ZINC000498818369 340023936 /nfs/dbraw/zinc/02/39/36/340023936.db2.gz PEPNQRJRNRQEDV-NRFANRHFSA-N 1 3 314.517 4.063 20 0 DIADHO C[N@H+](CCCC(C)(C)C)CC1CCN(c2ccncc2)CC1 ZINC000499597602 340040323 /nfs/dbraw/zinc/04/03/23/340040323.db2.gz CLEIESJDBCDUKT-UHFFFAOYSA-N 1 3 303.494 4.056 20 0 DIADHO C[N@@H+](CCCC(C)(C)C)CC1CCN(c2ccncc2)CC1 ZINC000499597602 340040324 /nfs/dbraw/zinc/04/03/24/340040324.db2.gz CLEIESJDBCDUKT-UHFFFAOYSA-N 1 3 303.494 4.056 20 0 DIADHO COc1ccc(CNCCCCC[NH+]2CCCCC2)c(Cl)c1 ZINC000500885475 340069158 /nfs/dbraw/zinc/06/91/58/340069158.db2.gz DFLLVROWQUROHJ-UHFFFAOYSA-N 1 3 324.896 4.094 20 0 DIADHO Cc1cc([C@@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)oc1C ZINC000502458313 340104523 /nfs/dbraw/zinc/10/45/23/340104523.db2.gz CLXYJJRXZCEOBP-VQIMIIECSA-N 1 3 312.457 4.069 20 0 DIADHO CCc1ccc([C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C(C)C)cc1 ZINC000506127769 340186480 /nfs/dbraw/zinc/18/64/80/340186480.db2.gz TYVNRGSLTHIOIL-SLFFLAALSA-N 1 3 300.490 4.163 20 0 DIADHO CCc1ccc([C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C(C)C)cc1 ZINC000506127769 340186481 /nfs/dbraw/zinc/18/64/81/340186481.db2.gz TYVNRGSLTHIOIL-SLFFLAALSA-N 1 3 300.490 4.163 20 0 DIADHO Fc1ccc(F)c2c1CC[C@H]2NCCCCC[NH+]1CCCCC1 ZINC000507821436 340233137 /nfs/dbraw/zinc/23/31/37/340233137.db2.gz PBDPDGTWZGBIFJ-GOSISDBHSA-N 1 3 322.443 4.198 20 0 DIADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(F)c(F)c1 ZINC000508666475 340250164 /nfs/dbraw/zinc/25/01/64/340250164.db2.gz ZJUXGUFVNDHRKC-UHFFFAOYSA-N 1 3 318.411 4.049 20 0 DIADHO Fc1cccc(-c2ccc(C[NH2+]CCCN3CCCC3)s2)c1 ZINC000509604581 340274583 /nfs/dbraw/zinc/27/45/83/340274583.db2.gz VTQLAXMJJHBXPF-UHFFFAOYSA-N 1 3 318.461 4.130 20 0 DIADHO Clc1ccccc1C1CC(NC2CC[NH+](CC3CC3)CC2)C1 ZINC000510005427 340285176 /nfs/dbraw/zinc/28/51/76/340285176.db2.gz CJEYGMSMRSZHCU-UHFFFAOYSA-N 1 3 318.892 4.050 20 0 DIADHO C[C@H](c1cccc(Cl)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000303075174 340300335 /nfs/dbraw/zinc/30/03/35/340300335.db2.gz QWUPLPQSMAJNMH-OAHLLOKOSA-N 1 3 306.881 4.209 20 0 DIADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000511454564 340327554 /nfs/dbraw/zinc/32/75/54/340327554.db2.gz OEOAIHXDUFFIPP-KNIAUWFNSA-N 1 3 306.881 4.048 20 0 DIADHO C[NH+](C)[C@H]1CCC[C@@H](NC2CC(c3ccccc3Cl)C2)C1 ZINC000511454564 340327555 /nfs/dbraw/zinc/32/75/55/340327555.db2.gz OEOAIHXDUFFIPP-KNIAUWFNSA-N 1 3 306.881 4.048 20 0 DIADHO Cc1ccsc1[C@H](C)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512313503 340356630 /nfs/dbraw/zinc/35/66/30/340356630.db2.gz JSLBNMJFEKYFDP-JYJNAYRXSA-N 1 3 306.519 4.360 20 0 DIADHO Cc1ccsc1[C@H](C)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512313503 340356631 /nfs/dbraw/zinc/35/66/31/340356631.db2.gz JSLBNMJFEKYFDP-JYJNAYRXSA-N 1 3 306.519 4.360 20 0 DIADHO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000512313503 340356632 /nfs/dbraw/zinc/35/66/32/340356632.db2.gz JSLBNMJFEKYFDP-JYJNAYRXSA-N 1 3 306.519 4.360 20 0 DIADHO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)[C@@H]1CCCN(C2CCC2)C1 ZINC000512334076 340357551 /nfs/dbraw/zinc/35/75/51/340357551.db2.gz ZIGZWMDTWRRKES-MDOVXXIYSA-N 1 3 316.464 4.056 20 0 DIADHO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C1CCN(CC(C)C)CC1 ZINC000513015540 340388565 /nfs/dbraw/zinc/38/85/65/340388565.db2.gz WZYPHEKAGRRMJG-VBKFSLOCSA-N 1 3 320.908 4.453 20 0 DIADHO CCc1ccc(CNCc2cccc(C[NH+](CC)CC)c2)cc1 ZINC000513104323 340393451 /nfs/dbraw/zinc/39/34/51/340393451.db2.gz GVSIAHRDDTXABL-UHFFFAOYSA-N 1 3 310.485 4.381 20 0 DIADHO Cc1cccc([C@H]([NH2+]C2CCN(c3ccncc3)CC2)C(C)C)c1 ZINC000529668138 340767232 /nfs/dbraw/zinc/76/72/32/340767232.db2.gz CYXJQEAGIVIZAS-OAQYLSRUSA-N 1 3 323.484 4.346 20 0 DIADHO CC[C@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)c1cc(C)ccc1C ZINC000530225296 340783130 /nfs/dbraw/zinc/78/31/30/340783130.db2.gz VIWYMDNGEAZQSS-JXFKEZNVSA-N 1 3 311.473 4.267 20 0 DIADHO Cc1cccc([C@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C(C)C)c1 ZINC000530227246 340783193 /nfs/dbraw/zinc/78/31/93/340783193.db2.gz WNXFNLDUYPPJMN-OXJNMPFZSA-N 1 3 311.473 4.205 20 0 DIADHO CC[NH+](CC)Cc1ccc(CNCc2csc(C)c2)cc1 ZINC000328543043 340785606 /nfs/dbraw/zinc/78/56/06/340785606.db2.gz JXNHOQNNTRUYON-UHFFFAOYSA-N 1 3 302.487 4.188 20 0 DIADHO CC[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000537937689 340791881 /nfs/dbraw/zinc/79/18/81/340791881.db2.gz VZTCGZYNVSKMOM-HXUWFJFHSA-N 1 3 315.505 4.247 20 0 DIADHO C[C@H](CCc1cccc(F)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000543080903 341031006 /nfs/dbraw/zinc/03/10/06/341031006.db2.gz JUXQARNHGNKHDI-YLJYHZDGSA-N 1 3 318.480 4.097 20 0 DIADHO Clc1ccc2c(c1)[C@@H](N1CCC(C[NH+]3CCCC3)CC1)CC2 ZINC000543138814 341033717 /nfs/dbraw/zinc/03/37/17/341033717.db2.gz JNSRJFNLAQVMOU-IBGZPJMESA-N 1 3 318.892 4.135 20 0 DIADHO CCOc1ccc([C@H](C)[NH2+]CC[C@H](C)N2CCCCC2)cc1 ZINC000543416367 341043297 /nfs/dbraw/zinc/04/32/97/341043297.db2.gz JBOMSECOYGZNMC-IRXDYDNUSA-N 1 3 304.478 4.000 20 0 DIADHO C[N@@H+]1CCC[C@H](CN[C@@H](c2cc3ccccc3o2)C(C)(C)C)C1 ZINC000543707155 341054533 /nfs/dbraw/zinc/05/45/33/341054533.db2.gz BYJZGAHKVIXKLK-BEFAXECRSA-N 1 3 314.473 4.451 20 0 DIADHO C[N@H+]1CCC[C@H](CN[C@@H](c2cc3ccccc3o2)C(C)(C)C)C1 ZINC000543707155 341054534 /nfs/dbraw/zinc/05/45/34/341054534.db2.gz BYJZGAHKVIXKLK-BEFAXECRSA-N 1 3 314.473 4.451 20 0 DIADHO CC(C)[N@H+](C)CC1CCN([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000544146476 341072306 /nfs/dbraw/zinc/07/23/06/341072306.db2.gz RQEWVSSHMKQBPL-LJQANCHMSA-N 1 3 320.908 4.380 20 0 DIADHO CC(C)[N@@H+](C)CC1CCN([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000544146476 341072307 /nfs/dbraw/zinc/07/23/07/341072307.db2.gz RQEWVSSHMKQBPL-LJQANCHMSA-N 1 3 320.908 4.380 20 0 DIADHO CC(C)[N@H+](C)CC1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000545187429 341112359 /nfs/dbraw/zinc/11/23/59/341112359.db2.gz MVSAFZCJSSPXCR-UHFFFAOYSA-N 1 3 310.432 4.176 20 0 DIADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000545187429 341112360 /nfs/dbraw/zinc/11/23/60/341112360.db2.gz MVSAFZCJSSPXCR-UHFFFAOYSA-N 1 3 310.432 4.176 20 0 DIADHO Cc1cccc(C)c1[C@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000546228599 341158076 /nfs/dbraw/zinc/15/80/76/341158076.db2.gz NFIFFTSCSCLXGJ-KRWDZBQOSA-N 1 3 300.490 4.361 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@H](CC)c2ccc(Cl)s2)C1 ZINC000247202518 341362314 /nfs/dbraw/zinc/36/23/14/341362314.db2.gz WMDGNJDRYXUOJU-CHWSQXEVSA-N 1 3 300.899 4.174 20 0 DIADHO C[C@@H]1C[C@@H]1[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000246500133 341350852 /nfs/dbraw/zinc/35/08/52/341350852.db2.gz SNCNOLURGMAZDJ-KAEUXLIGSA-N 1 3 306.881 4.109 20 0 DIADHO C[C@@H]1C[C@@H]1[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000246500133 341350853 /nfs/dbraw/zinc/35/08/53/341350853.db2.gz SNCNOLURGMAZDJ-KAEUXLIGSA-N 1 3 306.881 4.109 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cc3cc(C)c(C)cc3o2)C1 ZINC000247176986 341361917 /nfs/dbraw/zinc/36/19/17/341361917.db2.gz UWVOPQVYSRBOKP-HZPDHXFCSA-N 1 3 300.446 4.042 20 0 DIADHO CCc1nc(C)c([C@@H](C)NCCCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000247210151 341362283 /nfs/dbraw/zinc/36/22/83/341362283.db2.gz WWJKVJIXCKMAHL-HUUCEWRRSA-N 1 3 323.550 4.319 20 0 DIADHO CCc1nc(C)c([C@@H](C)NCCCC[N@H+]2CCCC[C@H]2C)s1 ZINC000247210151 341362284 /nfs/dbraw/zinc/36/22/84/341362284.db2.gz WWJKVJIXCKMAHL-HUUCEWRRSA-N 1 3 323.550 4.319 20 0 DIADHO FC(F)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000248389870 341376391 /nfs/dbraw/zinc/37/63/91/341376391.db2.gz HGVLKBQTJFVDLT-WMZOPIPTSA-N 1 3 320.427 4.073 20 0 DIADHO FC(F)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000248389870 341376392 /nfs/dbraw/zinc/37/63/92/341376392.db2.gz HGVLKBQTJFVDLT-WMZOPIPTSA-N 1 3 320.427 4.073 20 0 DIADHO C[C@H](CCc1ccccc1)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248400481 341376556 /nfs/dbraw/zinc/37/65/56/341376556.db2.gz KXZSJJQURGJYMZ-GGPKGHCWSA-N 1 3 314.517 4.250 20 0 DIADHO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000248403587 341376638 /nfs/dbraw/zinc/37/66/38/341376638.db2.gz OTJCAUJIKPCPJO-UXLLHSPISA-N 1 3 304.453 4.129 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@H](C)C(c2ccccc2)c2ccccc2)C1 ZINC000249371188 341396771 /nfs/dbraw/zinc/39/67/71/341396771.db2.gz BPGPHKLBTWVOKX-RTBURBONSA-N 1 3 322.496 4.138 20 0 DIADHO CC[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000171133207 341772346 /nfs/dbraw/zinc/77/23/46/341772346.db2.gz DTOXCZDBMCQPAP-LJQANCHMSA-N 1 3 300.421 4.128 20 0 DIADHO Cc1cc2c(cc1C)[C@H](NCc1ccc(C[NH3+])cc1)CCS2 ZINC000580552022 341875632 /nfs/dbraw/zinc/87/56/32/341875632.db2.gz KDHUXDYEIJZOJE-GOSISDBHSA-N 1 3 312.482 4.089 20 0 DIADHO CC(C)[NH+](CCCN[C@@H]1CCC[C@@H](c2cccnc2)C1)C(C)C ZINC000337342688 519643938 /nfs/dbraw/zinc/64/39/38/519643938.db2.gz RKUIFTCUJDZGHZ-UYAOXDASSA-N 1 3 317.521 4.206 20 0 DIADHO C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](CC[NH3+])C1 ZINC000226326661 526039778 /nfs/dbraw/zinc/03/97/78/526039778.db2.gz ICLGBMMUXAAJND-RYUDHWBXSA-N 1 3 301.261 4.115 20 0 DIADHO Cc1sccc1CNC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000339212888 526914519 /nfs/dbraw/zinc/91/45/19/526914519.db2.gz FYGOPNXELGBIMF-HNNXBMFYSA-N 1 3 320.527 4.120 20 0 DIADHO Cc1sccc1CNC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000339212888 526914522 /nfs/dbraw/zinc/91/45/22/526914522.db2.gz FYGOPNXELGBIMF-HNNXBMFYSA-N 1 3 320.527 4.120 20 0 DIADHO [NH3+]CCC[C@@H](N[C@H]1CCc2c1cc(F)cc2F)c1ccccc1 ZINC000643543798 1035568239 /nfs/dbraw/zinc/56/82/39/1035568239.db2.gz XTNLULNQCNUSSJ-MOPGFXCFSA-N 1 3 316.395 4.022 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000314916485 1035929936 /nfs/dbraw/zinc/92/99/36/1035929936.db2.gz MLUXUGMOIVXOOP-HOJAQTOUSA-N 1 3 300.490 4.033 20 0 DIADHO CN(C)CC(C)(C)C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000037197195 1035960852 /nfs/dbraw/zinc/96/08/52/1035960852.db2.gz LEYHHEICWMCMAG-AWEZNQCLSA-N 1 3 312.910 4.054 20 0 DIADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(Cl)s1 ZINC000037786549 1036133995 /nfs/dbraw/zinc/13/39/95/1036133995.db2.gz HTCRFNIYNGFJSR-LLVKDONJSA-N 1 3 300.899 4.315 20 0 DIADHO CC(C)[C@H]1C[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CS1 ZINC000754125269 1036286990 /nfs/dbraw/zinc/28/69/90/1036286990.db2.gz WXTLPKLEGOUVSF-RTBURBONSA-N 1 3 324.578 4.151 20 0 DIADHO CC(C)[C@H]1C[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)CS1 ZINC000754125269 1036287001 /nfs/dbraw/zinc/28/70/01/1036287001.db2.gz WXTLPKLEGOUVSF-RTBURBONSA-N 1 3 324.578 4.151 20 0 DIADHO Cc1ccc(C)c(CNCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC001648802288 1036372705 /nfs/dbraw/zinc/37/27/05/1036372705.db2.gz DWPXKTICDJKGHJ-UHFFFAOYSA-N 1 3 310.485 4.433 20 0 DIADHO Cc1ccc(C)c(CNCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC001648802288 1036372727 /nfs/dbraw/zinc/37/27/27/1036372727.db2.gz DWPXKTICDJKGHJ-UHFFFAOYSA-N 1 3 310.485 4.433 20 0 DIADHO Cc1cc2cc(C[NH2+]C3CCN(C4CCC4)CC3)oc2cc1C ZINC000530674076 1036389794 /nfs/dbraw/zinc/38/97/94/1036389794.db2.gz OXNJPWJICKJSLN-UHFFFAOYSA-N 1 3 312.457 4.156 20 0 DIADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1)CN1CCCC1 ZINC001648832598 1036611729 /nfs/dbraw/zinc/61/17/29/1036611729.db2.gz CMSWLLUORDERJV-HMXCVIKNSA-N 1 3 314.517 4.424 20 0 DIADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1)CN1CCCC1 ZINC001648832599 1036612803 /nfs/dbraw/zinc/61/28/03/1036612803.db2.gz CMSWLLUORDERJV-NRSPTQNISA-N 1 3 314.517 4.424 20 0 DIADHO C[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000124595664 1037011102 /nfs/dbraw/zinc/01/11/02/1037011102.db2.gz WONNBZQOPMDOQO-INIZCTEOSA-N 1 3 318.480 4.316 20 0 DIADHO Cc1cccc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1C ZINC000379753500 1037090379 /nfs/dbraw/zinc/09/03/79/1037090379.db2.gz PVOVYOWUZDLKEQ-NRFANRHFSA-N 1 3 322.496 4.305 20 0 DIADHO Cc1cccc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000379753500 1037090397 /nfs/dbraw/zinc/09/03/97/1037090397.db2.gz PVOVYOWUZDLKEQ-NRFANRHFSA-N 1 3 322.496 4.305 20 0 DIADHO Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000398045949 1037141787 /nfs/dbraw/zinc/14/17/87/1037141787.db2.gz VRWZEGPTPNQCPF-SIKLNZKXSA-N 1 3 322.496 4.304 20 0 DIADHO Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000398045949 1037141790 /nfs/dbraw/zinc/14/17/90/1037141790.db2.gz VRWZEGPTPNQCPF-SIKLNZKXSA-N 1 3 322.496 4.304 20 0 DIADHO C/C(=C/c1cccc(C(F)(F)F)c1)CN[C@H](C)CC[NH+](C)C ZINC000565679042 1037155716 /nfs/dbraw/zinc/15/57/16/1037155716.db2.gz RSUQZMCITKNSLK-QLKUMGTLSA-N 1 3 314.395 4.039 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@H]3CC[N@@H+](C)C[C@@H]3C)c2)cc1 ZINC000537957794 1037200233 /nfs/dbraw/zinc/20/02/33/1037200233.db2.gz UZYDKHIAOSRFST-UWJYYQICSA-N 1 3 308.469 4.092 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@H]3CC[N@H+](C)C[C@@H]3C)c2)cc1 ZINC000537957794 1037200251 /nfs/dbraw/zinc/20/02/51/1037200251.db2.gz UZYDKHIAOSRFST-UWJYYQICSA-N 1 3 308.469 4.092 20 0 DIADHO CCCC[C@@H](NCC[C@H]1CCC[N@@H+]1C)c1ccc(OC)cc1 ZINC000341796736 1038270138 /nfs/dbraw/zinc/27/01/38/1038270138.db2.gz JEKXZKZYGLUGAL-IEBWSBKVSA-N 1 3 304.478 4.000 20 0 DIADHO CCCC[C@@H](NCC[C@H]1CCC[N@H+]1C)c1ccc(OC)cc1 ZINC000341796736 1038270146 /nfs/dbraw/zinc/27/01/46/1038270146.db2.gz JEKXZKZYGLUGAL-IEBWSBKVSA-N 1 3 304.478 4.000 20 0 DIADHO C[C@@H](CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1)c1ccccc1 ZINC000604902875 1038460252 /nfs/dbraw/zinc/46/02/52/1038460252.db2.gz GKLKTWFFZFZKGC-VQTJNVASSA-N 1 3 314.517 4.234 20 0 DIADHO C[C@@H](Cc1cccs1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000684773099 1038596986 /nfs/dbraw/zinc/59/69/86/1038596986.db2.gz CDMOWBWMBIWLAA-DOTOQJQBSA-N 1 3 306.519 4.066 20 0 DIADHO C[C@@H](Cc1cccs1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000684773099 1038596988 /nfs/dbraw/zinc/59/69/88/1038596988.db2.gz CDMOWBWMBIWLAA-DOTOQJQBSA-N 1 3 306.519 4.066 20 0 DIADHO C1=C(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCC1 ZINC001167553656 1038607702 /nfs/dbraw/zinc/60/77/02/1038607702.db2.gz GVXCJYRIWHYADP-OAQYLSRUSA-N 1 3 310.485 4.085 20 0 DIADHO C1=C(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCC1 ZINC001167553656 1038607706 /nfs/dbraw/zinc/60/77/06/1038607706.db2.gz GVXCJYRIWHYADP-OAQYLSRUSA-N 1 3 310.485 4.085 20 0 DIADHO C[C@@H]1C[C@H](NCc2ccc(N(C)c3ccccc3)cc2)CC[N@@H+]1C ZINC000608061586 1038761280 /nfs/dbraw/zinc/76/12/80/1038761280.db2.gz ZIYUBZVSTSXYTE-IEBWSBKVSA-N 1 3 323.484 4.027 20 0 DIADHO C[C@@H]1C[C@H](NCc2ccc(N(C)c3ccccc3)cc2)CC[N@H+]1C ZINC000608061586 1038761285 /nfs/dbraw/zinc/76/12/85/1038761285.db2.gz ZIYUBZVSTSXYTE-IEBWSBKVSA-N 1 3 323.484 4.027 20 0 DIADHO CC[N@@H+]1CC[C@H](NCc2ccc(-c3ccccc3)s2)[C@@H](C)C1 ZINC000608067437 1038763892 /nfs/dbraw/zinc/76/38/92/1038763892.db2.gz CGFGVBBTZDDDTN-YJBOKZPZSA-N 1 3 314.498 4.235 20 0 DIADHO CC[N@H+]1CC[C@H](NCc2ccc(-c3ccccc3)s2)[C@@H](C)C1 ZINC000608067437 1038763900 /nfs/dbraw/zinc/76/39/00/1038763900.db2.gz CGFGVBBTZDDDTN-YJBOKZPZSA-N 1 3 314.498 4.235 20 0 DIADHO COCCCC[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623510543 1039226099 /nfs/dbraw/zinc/22/60/99/1039226099.db2.gz AHZUXHAECBSPQV-RTBURBONSA-N 1 3 318.505 4.007 20 0 DIADHO COCCCC[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623510543 1039226110 /nfs/dbraw/zinc/22/61/10/1039226110.db2.gz AHZUXHAECBSPQV-RTBURBONSA-N 1 3 318.505 4.007 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000539499527 1039273745 /nfs/dbraw/zinc/27/37/45/1039273745.db2.gz GVAXIUWQDQAHJV-MAUKXSAKSA-N 1 3 306.469 4.234 20 0 DIADHO CC[N@@H+]1CC[C@@H](CN[C@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000539499527 1039273766 /nfs/dbraw/zinc/27/37/66/1039273766.db2.gz GVAXIUWQDQAHJV-MAUKXSAKSA-N 1 3 306.469 4.234 20 0 DIADHO CC[N@H+]1CC[C@@H](CN[C@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000539499527 1039273785 /nfs/dbraw/zinc/27/37/85/1039273785.db2.gz GVAXIUWQDQAHJV-MAUKXSAKSA-N 1 3 306.469 4.234 20 0 DIADHO C[NH2+]Cc1ccccc1CNCc1ccc(Cl)c(Cl)c1 ZINC000650718243 1039377131 /nfs/dbraw/zinc/37/71/31/1039377131.db2.gz DPENFYUTBICNDL-UHFFFAOYSA-N 1 3 309.240 4.003 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@H]3CC[N@H+](C)[C@@H](C)C3)c2)cc1 ZINC000540159833 1039430027 /nfs/dbraw/zinc/43/00/27/1039430027.db2.gz FYKJQKVELLTRGL-UWJYYQICSA-N 1 3 308.469 4.234 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)cc1 ZINC000540159833 1039430038 /nfs/dbraw/zinc/43/00/38/1039430038.db2.gz FYKJQKVELLTRGL-UWJYYQICSA-N 1 3 308.469 4.234 20 0 DIADHO CC(C)[C@H](NCc1ccc(C[NH3+])cc1F)c1ccc(Cl)cc1 ZINC000650754134 1039457242 /nfs/dbraw/zinc/45/72/42/1039457242.db2.gz BPMYGUNOOZWLEG-SFHVURJKSA-N 1 3 320.839 4.425 20 0 DIADHO Cc1ccc([C@H](NCc2ccc(C[NH3+])cc2F)C2CCC2)cc1 ZINC000650755122 1039460678 /nfs/dbraw/zinc/46/06/78/1039460678.db2.gz ZPEDOGRLVPIQIE-HXUWFJFHSA-N 1 3 312.432 4.224 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@H]1CCCOc2c(C)cc(C)cc21 ZINC000650757068 1039464005 /nfs/dbraw/zinc/46/40/05/1039464005.db2.gz OARXHJNYODFBQX-FQEVSTJZSA-N 1 3 324.468 4.026 20 0 DIADHO Cc1cc([C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C2CC2)ccc1F ZINC000540299880 1039469715 /nfs/dbraw/zinc/46/97/15/1039469715.db2.gz UIRGMTMCAUOJOE-OXQOHEQNSA-N 1 3 318.480 4.295 20 0 DIADHO C[C@@H](c1ccccn1)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000151175390 1039482618 /nfs/dbraw/zinc/48/26/18/1039482618.db2.gz OKHHZLUHBDUKAZ-ROUUACIJSA-N 1 3 315.505 4.119 20 0 DIADHO C[C@@H](c1ccccn1)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000151175390 1039482626 /nfs/dbraw/zinc/48/26/26/1039482626.db2.gz OKHHZLUHBDUKAZ-ROUUACIJSA-N 1 3 315.505 4.119 20 0 DIADHO C[C@@H](c1ccccn1)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000151175338 1039483249 /nfs/dbraw/zinc/48/32/49/1039483249.db2.gz OKHHZLUHBDUKAZ-MSOLQXFVSA-N 1 3 315.505 4.119 20 0 DIADHO C[C@@H](c1ccccn1)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000151175338 1039483259 /nfs/dbraw/zinc/48/32/59/1039483259.db2.gz OKHHZLUHBDUKAZ-MSOLQXFVSA-N 1 3 315.505 4.119 20 0 DIADHO CC(C)C[C@H](C)C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000708501014 1039676858 /nfs/dbraw/zinc/67/68/58/1039676858.db2.gz ARXWGDFCCLBLNJ-BJLQDIEVSA-N 1 3 302.506 4.026 20 0 DIADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)C(c1ccccc1)c1ccccc1 ZINC000541628165 1039719135 /nfs/dbraw/zinc/71/91/35/1039719135.db2.gz DYZJQNOXCTULMZ-GHTZIAJQSA-N 1 3 322.496 4.281 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](c2cccnc2)C(C)C)c1 ZINC000091333118 1039843045 /nfs/dbraw/zinc/84/30/45/1039843045.db2.gz RCRCDINLAVODGN-HXUWFJFHSA-N 1 3 311.473 4.020 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](c2cccnc2)C(C)C)c1 ZINC000091333118 1039843072 /nfs/dbraw/zinc/84/30/72/1039843072.db2.gz RCRCDINLAVODGN-HXUWFJFHSA-N 1 3 311.473 4.020 20 0 DIADHO CC(C)N1CC[C@@H](C[NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC000685455722 1040060652 /nfs/dbraw/zinc/06/06/52/1040060652.db2.gz TYHIXEICWRMURK-SCCNAQOGSA-N 1 3 314.517 4.280 20 0 DIADHO CCCCCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000685470087 1040066930 /nfs/dbraw/zinc/06/69/30/1040066930.db2.gz SDIBWTFAERCZFE-PXNSSMCTSA-N 1 3 318.505 4.028 20 0 DIADHO CCCCCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000685470087 1040066949 /nfs/dbraw/zinc/06/69/49/1040066949.db2.gz SDIBWTFAERCZFE-PXNSSMCTSA-N 1 3 318.505 4.028 20 0 DIADHO Cc1cccc(C)c1CNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708563597 1040083645 /nfs/dbraw/zinc/08/36/45/1040083645.db2.gz ZSUWPEYTRVKGFK-CTNGQTDRSA-N 1 3 322.496 4.161 20 0 DIADHO Cc1cccc(C)c1CNC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000708563597 1040083664 /nfs/dbraw/zinc/08/36/64/1040083664.db2.gz ZSUWPEYTRVKGFK-CTNGQTDRSA-N 1 3 322.496 4.161 20 0 DIADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000708563597 1040083682 /nfs/dbraw/zinc/08/36/82/1040083682.db2.gz ZSUWPEYTRVKGFK-CTNGQTDRSA-N 1 3 322.496 4.161 20 0 DIADHO C[C@@H]([NH2+][C@@H](C)c1ccsc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309704556 1040091704 /nfs/dbraw/zinc/09/17/04/1040091704.db2.gz HJSNZNVLWBTRDJ-RYRKJORJSA-N 1 3 314.498 4.309 20 0 DIADHO C[C@@H](N[C@@H](C)c1cccs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309751681 1040093706 /nfs/dbraw/zinc/09/37/06/1040093706.db2.gz ZRHOUEDQSMSNED-RYRKJORJSA-N 1 3 314.498 4.309 20 0 DIADHO C[C@@H](N[C@@H](C)c1cccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309751681 1040093725 /nfs/dbraw/zinc/09/37/25/1040093725.db2.gz ZRHOUEDQSMSNED-RYRKJORJSA-N 1 3 314.498 4.309 20 0 DIADHO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000309761976 1040094976 /nfs/dbraw/zinc/09/49/76/1040094976.db2.gz DYOBGEWIQHETCO-AEFFLSMTSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1ccc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309761976 1040094994 /nfs/dbraw/zinc/09/49/94/1040094994.db2.gz DYOBGEWIQHETCO-AEFFLSMTSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1ccc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309761976 1040095012 /nfs/dbraw/zinc/09/50/12/1040095012.db2.gz DYOBGEWIQHETCO-AEFFLSMTSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1cc(C)cc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000062426539 1040105047 /nfs/dbraw/zinc/10/50/47/1040105047.db2.gz PJDNJNQWNHOPAI-OAQYLSRUSA-N 1 3 322.496 4.305 20 0 DIADHO Cc1cc(C)cc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000062426539 1040105062 /nfs/dbraw/zinc/10/50/62/1040105062.db2.gz PJDNJNQWNHOPAI-OAQYLSRUSA-N 1 3 322.496 4.305 20 0 DIADHO C[C@@H]1C[C@@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000310380613 1040116808 /nfs/dbraw/zinc/11/68/08/1040116808.db2.gz BIQDBZNNMXOERK-ZWCUEREDSA-N 1 3 320.480 4.347 20 0 DIADHO C[C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000310380613 1040116816 /nfs/dbraw/zinc/11/68/16/1040116816.db2.gz BIQDBZNNMXOERK-ZWCUEREDSA-N 1 3 320.480 4.347 20 0 DIADHO C[C@@H]1C[C@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000310380609 1040118573 /nfs/dbraw/zinc/11/85/73/1040118573.db2.gz BIQDBZNNMXOERK-JUXOCIIHSA-N 1 3 320.480 4.347 20 0 DIADHO C[C@@H]1C[C@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000310380609 1040118583 /nfs/dbraw/zinc/11/85/83/1040118583.db2.gz BIQDBZNNMXOERK-JUXOCIIHSA-N 1 3 320.480 4.347 20 0 DIADHO C[C@@H](c1ccccc1F)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613421728 1040940926 /nfs/dbraw/zinc/94/09/26/1040940926.db2.gz FUXZDYCRUUCQRF-KRWDZBQOSA-N 1 3 318.480 4.475 20 0 DIADHO C[C@H](CSC(C)(C)C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000178159035 1040967870 /nfs/dbraw/zinc/96/78/70/1040967870.db2.gz WQQAAUPDRRBQNW-OAHLLOKOSA-N 1 3 312.567 4.151 20 0 DIADHO C[C@H](CSC(C)(C)C)NC1CC[NH+](CC2CCCC2)CC1 ZINC000178159035 1040967897 /nfs/dbraw/zinc/96/78/97/1040967897.db2.gz WQQAAUPDRRBQNW-OAHLLOKOSA-N 1 3 312.567 4.151 20 0 DIADHO CN(C/C=C/c1ccc(F)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738639 1041240767 /nfs/dbraw/zinc/24/07/67/1041240767.db2.gz CPGNJRKQIZJKHV-SNAWJCMRSA-N 1 3 312.432 4.033 20 0 DIADHO C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121988 1041357743 /nfs/dbraw/zinc/35/77/43/1041357743.db2.gz HHRWXAAMCMBQCO-KGLIPLIRSA-N 1 3 314.926 4.044 20 0 DIADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(C2CC2)cc1 ZINC000417350592 1041661673 /nfs/dbraw/zinc/66/16/73/1041661673.db2.gz AJGZCGIGGCDHMR-HNNXBMFYSA-N 1 3 300.490 4.478 20 0 DIADHO CC1(C)[C@@H]2C[C@@H]([NH2+]C3CCN(CC4CCCCC4)CC3)C[C@@H]21 ZINC001170731944 1041789251 /nfs/dbraw/zinc/78/92/51/1041789251.db2.gz USZSLDQSTCUJHT-LDLYASANSA-N 1 3 304.522 4.055 20 0 DIADHO C[C@@H](NC1CCC([NH+]2CCCCC2)CC1)c1ccncc1Cl ZINC000817579115 1042116549 /nfs/dbraw/zinc/11/65/49/1042116549.db2.gz UMYYPTOEVXATST-QQFBHYJXSA-N 1 3 321.896 4.183 20 0 DIADHO c1ccc([C@@H]2CC[C@H]([NH2+]C[C@@H]3CCCN(CC4CC4)C3)C2)cc1 ZINC000663344063 1042126446 /nfs/dbraw/zinc/12/64/46/1042126446.db2.gz NHZAZFMBYZZHMX-TYPHKJRUSA-N 1 3 312.501 4.034 20 0 DIADHO CC(C)[C@@H](NCc1ccc(CC[NH3+])cc1)c1cc2ccccc2o1 ZINC000817949172 1042130710 /nfs/dbraw/zinc/13/07/10/1042130710.db2.gz NDRZWHXWKKISJR-OAQYLSRUSA-N 1 3 322.452 4.421 20 0 DIADHO Cc1ccccc1[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CC1 ZINC000820810549 1042229080 /nfs/dbraw/zinc/22/90/80/1042229080.db2.gz ZAEIVOWZJJDJEM-VZKPYBMVSA-N 1 3 310.485 4.194 20 0 DIADHO Cc1ccccc1[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CC1 ZINC000820810549 1042229085 /nfs/dbraw/zinc/22/90/85/1042229085.db2.gz ZAEIVOWZJJDJEM-VZKPYBMVSA-N 1 3 310.485 4.194 20 0 DIADHO CC(C)N1CC[C@@H](C[NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000316616739 1042244240 /nfs/dbraw/zinc/24/42/40/1042244240.db2.gz KTYCIXRFAZHHMT-KKXNLOMOSA-N 1 3 300.490 4.033 20 0 DIADHO c1ccc(C[C@@H](NCCC[NH+]2CCCC2)c2ccccc2)cc1 ZINC000319861988 1042290850 /nfs/dbraw/zinc/29/08/50/1042290850.db2.gz RSHAFOWPETXKHV-OAQYLSRUSA-N 1 3 308.469 4.046 20 0 DIADHO c1ccc(C[C@@H]([NH2+]CCCN2CCCC2)c2ccccc2)cc1 ZINC000319861988 1042290856 /nfs/dbraw/zinc/29/08/56/1042290856.db2.gz RSHAFOWPETXKHV-OAQYLSRUSA-N 1 3 308.469 4.046 20 0 DIADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2C[C@H](c3ccccc3)C[C@H](C)C2)C1 ZINC000391478028 1042373709 /nfs/dbraw/zinc/37/37/09/1042373709.db2.gz XKHNXXJHLYUFCI-MMKMLUHNSA-N 1 3 314.517 4.279 20 0 DIADHO C[C@@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cccnc1 ZINC000246560833 1042421313 /nfs/dbraw/zinc/42/13/13/1042421313.db2.gz KLDMJIPIOAMFSH-ZWKOTPCHSA-N 1 3 323.484 4.164 20 0 DIADHO C[C@@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cccnc1 ZINC000246560833 1042421314 /nfs/dbraw/zinc/42/13/14/1042421314.db2.gz KLDMJIPIOAMFSH-ZWKOTPCHSA-N 1 3 323.484 4.164 20 0 DIADHO C[C@@H]1CCC[N@H+](CCCCN[C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000513528163 1042550951 /nfs/dbraw/zinc/55/09/51/1042550951.db2.gz XIEIHELBHPHVNN-RDTXWAMCSA-N 1 3 322.443 4.054 20 0 DIADHO C[C@@H]1CCC[N@@H+](CCCCN[C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000513528163 1042550956 /nfs/dbraw/zinc/55/09/56/1042550956.db2.gz XIEIHELBHPHVNN-RDTXWAMCSA-N 1 3 322.443 4.054 20 0 DIADHO Cc1ccncc1CNCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000280071812 1042563709 /nfs/dbraw/zinc/56/37/09/1042563709.db2.gz XSJNCCXJHWCJCF-SFHVURJKSA-N 1 3 323.484 4.054 20 0 DIADHO Cc1ccncc1CNCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000280071812 1042563711 /nfs/dbraw/zinc/56/37/11/1042563711.db2.gz XSJNCCXJHWCJCF-SFHVURJKSA-N 1 3 323.484 4.054 20 0 DIADHO C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccncc1Cl ZINC000421819609 1042653924 /nfs/dbraw/zinc/65/39/24/1042653924.db2.gz HZSCAIUMCBUTBE-BZUAXINKSA-N 1 3 323.912 4.144 20 0 DIADHO COC1([C@@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)CCCCC1 ZINC000421833176 1042655038 /nfs/dbraw/zinc/65/50/38/1042655038.db2.gz NHGFCUPSNSGWHA-QGZVFWFLSA-N 1 3 322.537 4.111 20 0 DIADHO COC1([C@@H](C)NC2CC[NH+](C3CCCCC3)CC2)CCCCC1 ZINC000421833176 1042655041 /nfs/dbraw/zinc/65/50/41/1042655041.db2.gz NHGFCUPSNSGWHA-QGZVFWFLSA-N 1 3 322.537 4.111 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1Cl)NC1CC([NH+]2CCCCC2)C1 ZINC000421851798 1042657045 /nfs/dbraw/zinc/65/70/45/1042657045.db2.gz GWFBOAIXMVAMNF-IGEOTXOUSA-N 1 3 324.871 4.017 20 0 DIADHO [NH3+][C@H]1C[C@H](NCCCCCOC2CCCCC2)c2ccccc21 ZINC000422702402 1042687779 /nfs/dbraw/zinc/68/77/79/1042687779.db2.gz FBYHEMUPVLREJE-PMACEKPBSA-N 1 3 316.489 4.240 20 0 DIADHO C[C@@H](N[C@@H](C)C1C[NH2+]C1)c1ccccc1-c1ccc(Cl)cc1 ZINC000422758473 1042689269 /nfs/dbraw/zinc/68/92/69/1042689269.db2.gz DWYNOVQKNBYZJI-UONOGXRCSA-N 1 3 314.860 4.266 20 0 DIADHO COc1ccccc1-c1ccc([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422780600 1042690022 /nfs/dbraw/zinc/69/00/22/1042690022.db2.gz KOKJDPARRDTCOI-OAGGEKHMSA-N 1 3 312.457 4.139 20 0 DIADHO Cc1ccsc1[C@@H](Cc1ccccc1)N[C@@H]1CCC[NH2+]CC1 ZINC000422754095 1042690171 /nfs/dbraw/zinc/69/01/71/1042690171.db2.gz DQYAEMBCMPYGIS-QZTJIDSGSA-N 1 3 314.498 4.072 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000422825726 1042690552 /nfs/dbraw/zinc/69/05/52/1042690552.db2.gz AWDUZAYQCVYHGQ-KXBFYZLASA-N 1 3 311.473 4.287 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000422814691 1042690988 /nfs/dbraw/zinc/69/09/88/1042690988.db2.gz VYDQGNQBFFPQCS-BMGDILEWSA-N 1 3 303.494 4.104 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1c2ccccc2CCC[C@H]1C ZINC000423049509 1042695281 /nfs/dbraw/zinc/69/52/81/1042695281.db2.gz JWUSOUVEXHEFET-IVZHQMGZSA-N 1 3 323.484 4.213 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCc2ccc(C(C)C)cc21 ZINC000423061543 1042696107 /nfs/dbraw/zinc/69/61/07/1042696107.db2.gz KVABHFVJWQIXLK-VFNWGFHPSA-N 1 3 323.484 4.310 20 0 DIADHO [NH3+][C@@H]1C[C@H](N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)c2ccccc21 ZINC000423084924 1042697042 /nfs/dbraw/zinc/69/70/42/1042697042.db2.gz JBQGAVLQCBHWFW-NVRFMJDISA-N 1 3 310.416 4.196 20 0 DIADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1cccc(OCc2ccccc2)c1 ZINC000423077787 1042697168 /nfs/dbraw/zinc/69/71/68/1042697168.db2.gz UNMGYLMQIYDWLK-YESZJQIVSA-N 1 3 312.457 4.042 20 0 DIADHO C[C@@H](N[C@@H](C)c1ccc(F)c2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000423133127 1042698760 /nfs/dbraw/zinc/69/87/60/1042698760.db2.gz VMLXZNQZWUDETP-QLFBSQMISA-N 1 3 300.421 4.018 20 0 DIADHO CC(C)Oc1ccc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423289824 1042704028 /nfs/dbraw/zinc/70/40/28/1042704028.db2.gz BQIXIDATELHMMU-HZPDHXFCSA-N 1 3 312.457 4.344 20 0 DIADHO CC(C)[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1ccc(F)c(F)c1 ZINC000423290063 1042704122 /nfs/dbraw/zinc/70/41/22/1042704122.db2.gz CFWRVKAARCUFRF-YJYMSZOUSA-N 1 3 318.411 4.471 20 0 DIADHO Cc1cc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc(C)c1F ZINC000423293272 1042704922 /nfs/dbraw/zinc/70/49/22/1042704922.db2.gz QQGBADANAYUDOT-GJZGRUSLSA-N 1 3 300.421 4.313 20 0 DIADHO CCCOc1ccc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423291081 1042704961 /nfs/dbraw/zinc/70/49/61/1042704961.db2.gz GPPOOJBMXRWQDP-HZPDHXFCSA-N 1 3 312.457 4.346 20 0 DIADHO Cc1cc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc(C)c1F ZINC000423293271 1042705075 /nfs/dbraw/zinc/70/50/75/1042705075.db2.gz QQGBADANAYUDOT-CABCVRRESA-N 1 3 300.421 4.313 20 0 DIADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(OC(F)F)cc1 ZINC000423290996 1042705120 /nfs/dbraw/zinc/70/51/20/1042705120.db2.gz GFUBCQFTSXCCJW-QWHCGFSZSA-N 1 3 320.383 4.159 20 0 DIADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)c(Cl)c1 ZINC000423362848 1042708660 /nfs/dbraw/zinc/70/86/60/1042708660.db2.gz TZURLVAXCOMDPH-NSHDSACASA-N 1 3 321.251 4.447 20 0 DIADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(Cl)sc1Cl ZINC000423426501 1042711087 /nfs/dbraw/zinc/71/10/87/1042711087.db2.gz FFQVRNIRUWYTRV-JFUSQASVSA-N 1 3 319.301 4.094 20 0 DIADHO C[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1cc(Cl)sc1Cl ZINC000423481310 1042714750 /nfs/dbraw/zinc/71/47/50/1042714750.db2.gz NZSGCJPWEOVYRP-NXEZZACHSA-N 1 3 307.290 4.238 20 0 DIADHO CC[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1F ZINC000423502379 1042715697 /nfs/dbraw/zinc/71/56/97/1042715697.db2.gz DYPGVEMYJIMYGB-RBUKOAKNSA-N 1 3 300.421 4.347 20 0 DIADHO CC[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1OC ZINC000423514413 1042717496 /nfs/dbraw/zinc/71/74/96/1042717496.db2.gz WMMOJJRLMKHTGD-MOPGFXCFSA-N 1 3 312.457 4.216 20 0 DIADHO CN1CCC[C@@H]2C[N@@H+](C(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000514083314 1042770419 /nfs/dbraw/zinc/77/04/19/1042770419.db2.gz MJPPXWVSVSCFMG-RTWAWAEBSA-N 1 3 320.480 4.192 20 0 DIADHO CN1CCC[C@@H]2C[N@H+](C(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000514083314 1042770425 /nfs/dbraw/zinc/77/04/25/1042770425.db2.gz MJPPXWVSVSCFMG-RTWAWAEBSA-N 1 3 320.480 4.192 20 0 DIADHO C[C@@H](CCc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167958953 1042799951 /nfs/dbraw/zinc/79/99/51/1042799951.db2.gz KSQRRERPEMYUEM-BRIRTLKKSA-N 1 3 312.501 4.003 20 0 DIADHO CC(C)(C)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000517561705 1042887370 /nfs/dbraw/zinc/88/73/70/1042887370.db2.gz ORBWABDRARJOON-UHFFFAOYSA-N 1 3 308.897 4.188 20 0 DIADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccc1C ZINC001167970558 1042962010 /nfs/dbraw/zinc/96/20/10/1042962010.db2.gz MTXLTPFGWBEBDR-SMLSOGCJSA-N 1 3 312.501 4.441 20 0 DIADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1C ZINC001167970558 1042962013 /nfs/dbraw/zinc/96/20/13/1042962013.db2.gz MTXLTPFGWBEBDR-SMLSOGCJSA-N 1 3 312.501 4.441 20 0 DIADHO C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+]C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2(C)C ZINC001167979147 1042973521 /nfs/dbraw/zinc/97/35/21/1042973521.db2.gz WTIKKSOMQLVQAZ-LQAOYFIPSA-N 1 3 316.533 4.052 20 0 DIADHO CC[N@@H+]1CC[C@@H](NCc2ccc(-c3ccccc3)s2)[C@H](C)C1 ZINC000608067433 1042976305 /nfs/dbraw/zinc/97/63/05/1042976305.db2.gz CGFGVBBTZDDDTN-CRAIPNDOSA-N 1 3 314.498 4.235 20 0 DIADHO CC[N@H+]1CC[C@@H](NCc2ccc(-c3ccccc3)s2)[C@H](C)C1 ZINC000608067433 1042976309 /nfs/dbraw/zinc/97/63/09/1042976309.db2.gz CGFGVBBTZDDDTN-CRAIPNDOSA-N 1 3 314.498 4.235 20 0 DIADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@@H+]1CCCC3(CCCC3)C1)C2 ZINC001167985059 1042983343 /nfs/dbraw/zinc/98/33/43/1042983343.db2.gz UCVMJPIPVDYSTF-DFNIBXOVSA-N 1 3 302.506 4.048 20 0 DIADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@H+]1CCCC3(CCCC3)C1)C2 ZINC001167985059 1042983348 /nfs/dbraw/zinc/98/33/48/1042983348.db2.gz UCVMJPIPVDYSTF-DFNIBXOVSA-N 1 3 302.506 4.048 20 0 DIADHO Cc1cc(C)cc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000383353641 1042985158 /nfs/dbraw/zinc/98/51/58/1042985158.db2.gz PJDNJNQWNHOPAI-NRFANRHFSA-N 1 3 322.496 4.305 20 0 DIADHO Cc1cc(C)cc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000383353641 1042985160 /nfs/dbraw/zinc/98/51/60/1042985160.db2.gz PJDNJNQWNHOPAI-NRFANRHFSA-N 1 3 322.496 4.305 20 0 DIADHO CCCN(CCC[NH+](C)C)Cc1ccc(Cl)c2cccnc12 ZINC000519847398 1043005961 /nfs/dbraw/zinc/00/59/61/1043005961.db2.gz KTGKUZHNZVMTCS-UHFFFAOYSA-N 1 3 319.880 4.052 20 0 DIADHO Clc1ccc(CCCN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000441463912 1043143884 /nfs/dbraw/zinc/14/38/84/1043143884.db2.gz MAGKZSWDIFDJAQ-GOSISDBHSA-N 1 3 320.908 4.080 20 0 DIADHO CC(C)[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccn1 ZINC000866219844 1043161171 /nfs/dbraw/zinc/16/11/71/1043161171.db2.gz ZEBMSPXYXKIPFJ-NRFANRHFSA-N 1 3 323.484 4.164 20 0 DIADHO Cc1cncc([C@H](C)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000184277881 1043180760 /nfs/dbraw/zinc/18/07/60/1043180760.db2.gz VQBCCEIYSFSWIC-KRWDZBQOSA-N 1 3 311.473 4.081 20 0 DIADHO Cc1cncc([C@H](C)NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000184277881 1043180769 /nfs/dbraw/zinc/18/07/69/1043180769.db2.gz VQBCCEIYSFSWIC-KRWDZBQOSA-N 1 3 311.473 4.081 20 0 DIADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2cncc(C)c2)c1 ZINC000184285510 1043181464 /nfs/dbraw/zinc/18/14/64/1043181464.db2.gz PQUWNJIQVYNGDV-QGZVFWFLSA-N 1 3 311.473 4.083 20 0 DIADHO CCC[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000184833756 1043190968 /nfs/dbraw/zinc/19/09/68/1043190968.db2.gz KOFRRUVQSPOPOQ-OAQYLSRUSA-N 1 3 323.484 4.177 20 0 DIADHO C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(O)c1 ZINC000194838060 1043294548 /nfs/dbraw/zinc/29/45/48/1043294548.db2.gz XTOCMISVMRXLKC-KRWDZBQOSA-N 1 3 324.468 4.229 20 0 DIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](c1ccccc1F)C(C)C ZINC000665241045 1043301437 /nfs/dbraw/zinc/30/14/37/1043301437.db2.gz YTLMSGWCBYGKJK-AUUYWEPGSA-N 1 3 315.436 4.036 20 0 DIADHO Cc1cc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1-c1ccccc1 ZINC000427862913 1043312275 /nfs/dbraw/zinc/31/22/75/1043312275.db2.gz IPDMOXWCQYXBHN-LAUBAEHRSA-N 1 3 308.469 4.092 20 0 DIADHO Cc1cc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1-c1ccccc1 ZINC000427862913 1043312279 /nfs/dbraw/zinc/31/22/79/1043312279.db2.gz IPDMOXWCQYXBHN-LAUBAEHRSA-N 1 3 308.469 4.092 20 0 DIADHO C[C@@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1)c1ccccn1 ZINC001168012140 1043338248 /nfs/dbraw/zinc/33/82/48/1043338248.db2.gz WVBVYRMJTXFICE-AJYBTWMASA-N 1 3 323.484 4.174 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc3c(c2)COC3)c1 ZINC000268862708 1043338880 /nfs/dbraw/zinc/33/88/80/1043338880.db2.gz JZWNPQSIUNBFEY-MRXNPFEDSA-N 1 3 324.468 4.019 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc3c(c2)COC3)c1 ZINC000268862708 1043338886 /nfs/dbraw/zinc/33/88/86/1043338886.db2.gz JZWNPQSIUNBFEY-MRXNPFEDSA-N 1 3 324.468 4.019 20 0 DIADHO CC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccncc1 ZINC000268937007 1043344637 /nfs/dbraw/zinc/34/46/37/1043344637.db2.gz YYDPBEATZDFNQU-YYWHXJBOSA-N 1 3 323.484 4.175 20 0 DIADHO CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccncc1 ZINC000268937007 1043344648 /nfs/dbraw/zinc/34/46/48/1043344648.db2.gz YYDPBEATZDFNQU-YYWHXJBOSA-N 1 3 323.484 4.175 20 0 DIADHO [NH3+]CCC[C@@H](NCc1ccccc1OC1CCC1)c1ccccc1 ZINC000925567033 1043431019 /nfs/dbraw/zinc/43/10/19/1043431019.db2.gz AEMJNGNVFWSFFD-HXUWFJFHSA-N 1 3 324.468 4.188 20 0 DIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCCC(C)(C)[NH3+] ZINC000925739856 1043460801 /nfs/dbraw/zinc/46/08/01/1043460801.db2.gz ALNJCNYTIZYTNU-LLVKDONJSA-N 1 3 321.465 4.036 20 0 DIADHO CC[C@@H](NC[C@H]1C[NH2+]CCC1(F)F)c1cccc2ccccc21 ZINC000925776486 1043468491 /nfs/dbraw/zinc/46/84/91/1043468491.db2.gz KSSIKVXQOFRVNX-CRAIPNDOSA-N 1 3 318.411 4.125 20 0 DIADHO CC[C@H](NC[C@@H]1C[NH2+]CCC1(F)F)c1cccc2ccccc21 ZINC000925776489 1043468680 /nfs/dbraw/zinc/46/86/80/1043468680.db2.gz KSSIKVXQOFRVNX-YJBOKZPZSA-N 1 3 318.411 4.125 20 0 DIADHO CC[C@@H](NC[C@@H]1C[NH2+]CCC1(F)F)c1cccc2ccccc21 ZINC000925776487 1043469864 /nfs/dbraw/zinc/46/98/64/1043469864.db2.gz KSSIKVXQOFRVNX-MAUKXSAKSA-N 1 3 318.411 4.125 20 0 DIADHO Cc1ccc([C@@H](NC[C@@H]2C[NH2+]CCC2(F)F)C2CCCC2)cc1 ZINC000925775235 1043470048 /nfs/dbraw/zinc/47/00/48/1043470048.db2.gz DTJDAOIPHHFQKV-ROUUACIJSA-N 1 3 322.443 4.061 20 0 DIADHO COc1ccc([C@H](C)N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1C ZINC000925832435 1043480718 /nfs/dbraw/zinc/48/07/18/1043480718.db2.gz VTPLYGSFDMEIKO-FFZOFVMBSA-N 1 3 324.468 4.148 20 0 DIADHO CCC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000443097875 1043492332 /nfs/dbraw/zinc/49/23/32/1043492332.db2.gz ZWZIVPKVLLHKTE-JZXOWHBKSA-N 1 3 324.534 4.068 20 0 DIADHO CC[N@H+](CCC1CCN(Cc2scnc2C)CC1)CC(C)C ZINC000558422341 1043505281 /nfs/dbraw/zinc/50/52/81/1043505281.db2.gz BDCSZAUSVWIIAB-UHFFFAOYSA-N 1 3 323.550 4.032 20 0 DIADHO CC[N@@H+](CCC1CCN(Cc2scnc2C)CC1)CC(C)C ZINC000558422341 1043505290 /nfs/dbraw/zinc/50/52/90/1043505290.db2.gz BDCSZAUSVWIIAB-UHFFFAOYSA-N 1 3 323.550 4.032 20 0 DIADHO CC(C)Cc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000314675341 1043557646 /nfs/dbraw/zinc/55/76/46/1043557646.db2.gz JSMKKWYWWRSWQM-AEFFLSMTSA-N 1 3 300.490 4.020 20 0 DIADHO CC(C)Cc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000314675341 1043557651 /nfs/dbraw/zinc/55/76/51/1043557651.db2.gz JSMKKWYWWRSWQM-AEFFLSMTSA-N 1 3 300.490 4.020 20 0 DIADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000474066009 1043566885 /nfs/dbraw/zinc/56/68/85/1043566885.db2.gz NOKCZPUGFYOLCS-HZPDHXFCSA-N 1 3 316.480 4.158 20 0 DIADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc(-c3ccncc3)c2)C[C@H]1C ZINC000353747892 1043638531 /nfs/dbraw/zinc/63/85/31/1043638531.db2.gz QOYRTRNHFNCTHR-UTKZUKDTSA-N 1 3 323.484 4.053 20 0 DIADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc(-c3ccncc3)c2)C[C@H]1C ZINC000353747892 1043638536 /nfs/dbraw/zinc/63/85/36/1043638536.db2.gz QOYRTRNHFNCTHR-UTKZUKDTSA-N 1 3 323.484 4.053 20 0 DIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(-c3ccncc3)c2)C[C@@H]1C ZINC000353747889 1043638930 /nfs/dbraw/zinc/63/89/30/1043638930.db2.gz QOYRTRNHFNCTHR-LAUBAEHRSA-N 1 3 323.484 4.053 20 0 DIADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(-c3ccncc3)c2)C[C@@H]1C ZINC000353747889 1043638937 /nfs/dbraw/zinc/63/89/37/1043638937.db2.gz QOYRTRNHFNCTHR-LAUBAEHRSA-N 1 3 323.484 4.053 20 0 DIADHO COCCCC[C@H](NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000355310071 1043759494 /nfs/dbraw/zinc/75/94/94/1043759494.db2.gz HILZHIGICGHBQM-FQEVSTJZSA-N 1 3 318.505 4.007 20 0 DIADHO CCc1cccc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001648965589 1043820243 /nfs/dbraw/zinc/82/02/43/1043820243.db2.gz QKOQCQDQBZMPHN-JOCHJYFZSA-N 1 3 322.496 4.251 20 0 DIADHO CCc1cccc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001648965589 1043820254 /nfs/dbraw/zinc/82/02/54/1043820254.db2.gz QKOQCQDQBZMPHN-JOCHJYFZSA-N 1 3 322.496 4.251 20 0 DIADHO C[C@@H]1C[C@H]([NH2+]C2CCN(CC3CC3)CC2)c2ccsc2S1 ZINC000360442664 1044270340 /nfs/dbraw/zinc/27/03/40/1044270340.db2.gz KNIMAKFTAXKBPE-WBMJQRKESA-N 1 3 322.543 4.138 20 0 DIADHO C[NH+](C)CC[C@@H](N[C@@H]1CCSc2ccccc21)C(C)(C)C ZINC000361511976 1044411518 /nfs/dbraw/zinc/41/15/18/1044411518.db2.gz WDYBBFQTODKQTH-NVXWUHKLSA-N 1 3 306.519 4.180 20 0 DIADHO C/C(=C\c1cccc(C(F)(F)F)c1)CN[C@H](C)CC[NH+](C)C ZINC000565679023 1044450087 /nfs/dbraw/zinc/45/00/87/1044450087.db2.gz RSUQZMCITKNSLK-JWAFFJSPSA-N 1 3 314.395 4.039 20 0 DIADHO CC(C)(C)c1ccc(C[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000475562932 1044504847 /nfs/dbraw/zinc/50/48/47/1044504847.db2.gz AKKDGPUGUIACJB-UHFFFAOYSA-N 1 3 300.490 4.091 20 0 DIADHO Cc1cnccc1CNCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000296529673 1044625344 /nfs/dbraw/zinc/62/53/44/1044625344.db2.gz SMGVIWSACONLPZ-SFHVURJKSA-N 1 3 323.484 4.054 20 0 DIADHO Cc1cnccc1CNCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000296529673 1044625353 /nfs/dbraw/zinc/62/53/53/1044625353.db2.gz SMGVIWSACONLPZ-SFHVURJKSA-N 1 3 323.484 4.054 20 0 DIADHO CC[C@@H](c1ccc(F)cc1F)N1CCC(CC[NH+](C)C)CC1 ZINC000523436240 1044636314 /nfs/dbraw/zinc/63/63/14/1044636314.db2.gz ICAQLGIXDMMPFM-SFHVURJKSA-N 1 3 310.432 4.080 20 0 DIADHO C[C@@H](Cc1ccsc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000568735130 1044646230 /nfs/dbraw/zinc/64/62/30/1044646230.db2.gz WPOUDWCFIZDVDV-HNNXBMFYSA-N 1 3 306.519 4.066 20 0 DIADHO C[C@@H](Cc1ccsc1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000568735130 1044646234 /nfs/dbraw/zinc/64/62/34/1044646234.db2.gz WPOUDWCFIZDVDV-HNNXBMFYSA-N 1 3 306.519 4.066 20 0 DIADHO c1ccc2c(c1)cccc2CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000524593485 1044882895 /nfs/dbraw/zinc/88/28/95/1044882895.db2.gz BRHFIBUDMYJOPP-FQEVSTJZSA-N 1 3 308.469 4.290 20 0 DIADHO C[C@H](CC[NH2+]C1CCN(CC2CCCC2)CC1)c1ccccc1 ZINC000446816480 1045042891 /nfs/dbraw/zinc/04/28/91/1045042891.db2.gz FSFUYTOZDQKMRT-GOSISDBHSA-N 1 3 314.517 4.424 20 0 DIADHO CC(C)[C@@H]1C[C@@H](NC2CC[NH+](C3CCC3)CC2)c2ccccc21 ZINC000447534586 1045141055 /nfs/dbraw/zinc/14/10/55/1045141055.db2.gz YOYFUQYPLJKMNE-LEWJYISDSA-N 1 3 312.501 4.478 20 0 DIADHO COc1cccc([C@H](C)N[C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924722105 1045195568 /nfs/dbraw/zinc/19/55/68/1045195568.db2.gz FVWUXBZDRHQBOD-CVEARBPZSA-N 1 3 312.457 4.169 20 0 DIADHO C[C@@H](CCCC[NH3+])NCc1csc(-c2ccc(Cl)cc2)n1 ZINC000578047258 1045202535 /nfs/dbraw/zinc/20/25/35/1045202535.db2.gz MZURYWZOXACQIE-LBPRGKRZSA-N 1 3 323.893 4.071 20 0 DIADHO CC[NH+](CC)Cc1cccc(CNCc2ccc3cc[nH]c3c2)c1 ZINC000527641134 1045245244 /nfs/dbraw/zinc/24/52/44/1045245244.db2.gz PZSXCHDOWWOOBO-UHFFFAOYSA-N 1 3 321.468 4.300 20 0 DIADHO CCC(F)(F)C(C)(C)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000527671619 1045246297 /nfs/dbraw/zinc/24/62/97/1045246297.db2.gz XIKPYCUDFGDHAU-UHFFFAOYSA-N 1 3 302.453 4.055 20 0 DIADHO C[C@H]1CCCCN1CCC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449061121 1045337709 /nfs/dbraw/zinc/33/77/09/1045337709.db2.gz HMVSJYBTWLTMNM-ZJRDLVKKSA-N 1 3 322.537 4.111 20 0 DIADHO CC[N@H+](C)Cc1cccc(CNCc2cccc3ccoc32)c1 ZINC000449131362 1045349640 /nfs/dbraw/zinc/34/96/40/1045349640.db2.gz MBTQLCZHKUCDFR-UHFFFAOYSA-N 1 3 308.425 4.174 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CNCc2cccc3ccoc32)c1 ZINC000449131362 1045349644 /nfs/dbraw/zinc/34/96/44/1045349644.db2.gz MBTQLCZHKUCDFR-UHFFFAOYSA-N 1 3 308.425 4.174 20 0 DIADHO C[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)c1cc(F)cc(F)c1 ZINC000449181352 1045359365 /nfs/dbraw/zinc/35/93/65/1045359365.db2.gz GVHFLWFWAQXXHO-CQSZACIVSA-N 1 3 322.443 4.065 20 0 DIADHO C[C@H](CNC1CC[NH+](C2CCCC2)CC1)c1cc(F)cc(F)c1 ZINC000449181352 1045359367 /nfs/dbraw/zinc/35/93/67/1045359367.db2.gz GVHFLWFWAQXXHO-CQSZACIVSA-N 1 3 322.443 4.065 20 0 DIADHO C[C@@H](CC[NH2+]C1CCC(OC2CCCC2)CC1)N1CCCCC1 ZINC000449238537 1045367643 /nfs/dbraw/zinc/36/76/43/1045367643.db2.gz GMQRVTYCKWVBDQ-ZJRDLVKKSA-N 1 3 322.537 4.111 20 0 DIADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3CCCC3(F)F)CC2)C1 ZINC000449500519 1045403492 /nfs/dbraw/zinc/40/34/92/1045403492.db2.gz UZGNEVCCXJVQPS-VYDXJSESSA-N 1 3 314.464 4.055 20 0 DIADHO C[C@H]([NH2+]CC/C=C/c1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000450729083 1045553967 /nfs/dbraw/zinc/55/39/67/1045553967.db2.gz QZVBWZXESBVYED-RUJVBFRSSA-N 1 3 312.501 4.333 20 0 DIADHO Cc1ccsc1CNC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000380914263 1045556393 /nfs/dbraw/zinc/55/63/93/1045556393.db2.gz PSIDMCRBQZQBTO-LJQANCHMSA-N 1 3 314.498 4.058 20 0 DIADHO Cc1ccsc1CNC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000380914263 1045556409 /nfs/dbraw/zinc/55/64/09/1045556409.db2.gz PSIDMCRBQZQBTO-LJQANCHMSA-N 1 3 314.498 4.058 20 0 DIADHO C[C@H]([NH2+]CCc1ccc(Cl)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000450724600 1045557613 /nfs/dbraw/zinc/55/76/13/1045557613.db2.gz GRIFLYDUGZMGKV-DOTOQJQBSA-N 1 3 320.908 4.125 20 0 DIADHO C[C@@H]1C[C@H]1c1ccc(CNC2CCC([NH+]3CCCCC3)CC2)o1 ZINC000751148576 1045585871 /nfs/dbraw/zinc/58/58/71/1045585871.db2.gz XALOAUQZSCDZRN-RMFNQSEZSA-N 1 3 316.489 4.290 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2cc3ccccc3o2)CC1 ZINC001139064908 1045623904 /nfs/dbraw/zinc/62/39/04/1045623904.db2.gz JIKWLGOUIITBNO-UHFFFAOYSA-N 1 3 300.446 4.129 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2cc3ccccc3o2)CC1 ZINC001139064908 1045623909 /nfs/dbraw/zinc/62/39/09/1045623909.db2.gz JIKWLGOUIITBNO-UHFFFAOYSA-N 1 3 300.446 4.129 20 0 DIADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1(C(F)(F)F)CCCC1 ZINC000629550941 1045678088 /nfs/dbraw/zinc/67/80/88/1045678088.db2.gz QEBSHKHZRRSEOK-UONOGXRCSA-N 1 3 306.416 4.010 20 0 DIADHO c1cnc2cccc(CN3CCCC[C@@H]3CC[NH+]3CCCC3)c2c1 ZINC001137627912 1045910964 /nfs/dbraw/zinc/91/09/64/1045910964.db2.gz FJEXFZUUWZKUHO-LJQANCHMSA-N 1 3 323.484 4.075 20 0 DIADHO c1cnc2cccc(C[N@H+]3CCCC[C@@H]3CCN3CCCC3)c2c1 ZINC001137627912 1045910974 /nfs/dbraw/zinc/91/09/74/1045910974.db2.gz FJEXFZUUWZKUHO-LJQANCHMSA-N 1 3 323.484 4.075 20 0 DIADHO c1cnc2cccc(C[N@@H+]3CCCC[C@@H]3CCN3CCCC3)c2c1 ZINC001137627912 1045910982 /nfs/dbraw/zinc/91/09/82/1045910982.db2.gz FJEXFZUUWZKUHO-LJQANCHMSA-N 1 3 323.484 4.075 20 0 DIADHO C[NH+]1CCC(N(Cc2ccc(Cl)cc2F)C2CCCC2)CC1 ZINC001137662498 1045925948 /nfs/dbraw/zinc/92/59/48/1045925948.db2.gz VAEZOLLAOOSXFO-UHFFFAOYSA-N 1 3 324.871 4.318 20 0 DIADHO C[C@H]1CC[C@@H](NC2CC[NH+](C3CCC3)CC2)c2sccc21 ZINC000453082683 1045929198 /nfs/dbraw/zinc/92/91/98/1045929198.db2.gz MEGMNDCLBTZYOE-SUMWQHHRSA-N 1 3 304.503 4.293 20 0 DIADHO C[C@@H]1CC[C@H](NC2CC[NH+](C3CCC3)CC2)c2sccc21 ZINC000453082674 1045929580 /nfs/dbraw/zinc/92/95/80/1045929580.db2.gz MEGMNDCLBTZYOE-DYVFJYSZSA-N 1 3 304.503 4.293 20 0 DIADHO Cc1cc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)c(C)s1 ZINC000531866298 1045989664 /nfs/dbraw/zinc/98/96/64/1045989664.db2.gz GNCPMJHEAKXZPA-UHFFFAOYSA-N 1 3 316.514 4.495 20 0 DIADHO Cc1cc(CNCc2cccc(C[N@H+](C)C(C)C)c2)c(C)s1 ZINC000531866298 1045989672 /nfs/dbraw/zinc/98/96/72/1045989672.db2.gz GNCPMJHEAKXZPA-UHFFFAOYSA-N 1 3 316.514 4.495 20 0 DIADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(-c2ccccc2)o1 ZINC000453365666 1046066199 /nfs/dbraw/zinc/06/61/99/1046066199.db2.gz SRQFNSIIFVRTLQ-MIGBEJBISA-N 1 3 310.441 4.222 20 0 DIADHO Cc1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C2CC2)cc1 ZINC000903066781 1046153379 /nfs/dbraw/zinc/15/33/79/1046153379.db2.gz LOYMYPNLIDVECM-KRIYCRJKSA-N 1 3 310.485 4.194 20 0 DIADHO Cc1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C2CC2)cc1 ZINC000903066781 1046153382 /nfs/dbraw/zinc/15/33/82/1046153382.db2.gz LOYMYPNLIDVECM-KRIYCRJKSA-N 1 3 310.485 4.194 20 0 DIADHO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(-c2ccncc2)c1 ZINC000635011630 1046172843 /nfs/dbraw/zinc/17/28/43/1046172843.db2.gz OKPIBDQTMNOKPI-OXJNMPFZSA-N 1 3 323.484 4.177 20 0 DIADHO CCC(CC)[N@@H+]1CC[C@H](N[C@H](C)Cc2ccc(Cl)cc2)C1 ZINC001168167415 1046230727 /nfs/dbraw/zinc/23/07/27/1046230727.db2.gz OTDOCBHYYQHZID-PBHICJAKSA-N 1 3 308.897 4.124 20 0 DIADHO CCC(CC)[N@H+]1CC[C@H](N[C@H](C)Cc2ccc(Cl)cc2)C1 ZINC001168167415 1046230734 /nfs/dbraw/zinc/23/07/34/1046230734.db2.gz OTDOCBHYYQHZID-PBHICJAKSA-N 1 3 308.897 4.124 20 0 DIADHO CC[N@H+](C[C@H](N)CC(F)F)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908912 1046339891 /nfs/dbraw/zinc/33/98/91/1046339891.db2.gz PTKSDIQELAOOLA-ZWNOBZJWSA-N 1 3 324.337 4.071 20 0 DIADHO CC[N@@H+](C[C@H](N)CC(F)F)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908912 1046339907 /nfs/dbraw/zinc/33/99/07/1046339907.db2.gz PTKSDIQELAOOLA-ZWNOBZJWSA-N 1 3 324.337 4.071 20 0 DIADHO CN1CC2(C1)CC[NH+](Cc1cccc(-c3ccc(F)cc3)c1)CC2 ZINC001139067134 1046376275 /nfs/dbraw/zinc/37/62/75/1046376275.db2.gz COCBKAWIFWJMES-UHFFFAOYSA-N 1 3 324.443 4.020 20 0 DIADHO CCC1([NH+](C)C)CCN(CC2CCC(C(F)(F)F)CC2)CC1 ZINC000639379069 1046387360 /nfs/dbraw/zinc/38/73/60/1046387360.db2.gz MPAJUEAKVZEWFU-UHFFFAOYSA-N 1 3 320.443 4.161 20 0 DIADHO CCC1(N(C)C)CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000639379069 1046387374 /nfs/dbraw/zinc/38/73/74/1046387374.db2.gz MPAJUEAKVZEWFU-UHFFFAOYSA-N 1 3 320.443 4.161 20 0 DIADHO CC1CCC([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)CC1 ZINC001168221718 1046429209 /nfs/dbraw/zinc/42/92/09/1046429209.db2.gz MSQIDJHOYZRUIF-UHFFFAOYSA-N 1 3 312.501 4.163 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCCOc3ccccc32)c1 ZINC000123957643 1046450580 /nfs/dbraw/zinc/45/05/80/1046450580.db2.gz ZIVKXAHWPNVZOT-HXUWFJFHSA-N 1 3 324.468 4.142 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCCOc3ccccc32)c1 ZINC000123957643 1046450584 /nfs/dbraw/zinc/45/05/84/1046450584.db2.gz ZIVKXAHWPNVZOT-HXUWFJFHSA-N 1 3 324.468 4.142 20 0 DIADHO CCC(CC)[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccs1 ZINC000677237878 1046477408 /nfs/dbraw/zinc/47/74/08/1046477408.db2.gz PDSXHBJFSHMUHL-BQFCYCMXSA-N 1 3 306.519 4.442 20 0 DIADHO CCC(CC)[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccs1 ZINC000677237878 1046477415 /nfs/dbraw/zinc/47/74/15/1046477415.db2.gz PDSXHBJFSHMUHL-BQFCYCMXSA-N 1 3 306.519 4.442 20 0 DIADHO Cc1csc(CN2CCC3(CC2)CC[NH+](C)CC3)c1Cl ZINC001137292795 1046492018 /nfs/dbraw/zinc/49/20/18/1046492018.db2.gz PPFVTBGYSNZIEI-UHFFFAOYSA-N 1 3 312.910 4.018 20 0 DIADHO C[C@H](CSC(C)(C)C)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248411997 1046610718 /nfs/dbraw/zinc/61/07/18/1046610718.db2.gz ZUZYJKPMQYYOEH-OAGGEKHMSA-N 1 3 312.567 4.149 20 0 DIADHO c1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cs1 ZINC000245649697 1046623699 /nfs/dbraw/zinc/62/36/99/1046623699.db2.gz CHEWMZLAPHYLMR-LDLYASANSA-N 1 3 312.482 4.033 20 0 DIADHO C[C@H](c1ccccc1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000532989346 1046635540 /nfs/dbraw/zinc/63/55/40/1046635540.db2.gz QMRKVQVQFTVTPV-QUCCMNQESA-N 1 3 308.469 4.202 20 0 DIADHO C[C@H](c1ccccc1)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000532989346 1046635547 /nfs/dbraw/zinc/63/55/47/1046635547.db2.gz QMRKVQVQFTVTPV-QUCCMNQESA-N 1 3 308.469 4.202 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)NCc1nc(C(C)(C)C)cs1 ZINC000094965345 1046695816 /nfs/dbraw/zinc/69/58/16/1046695816.db2.gz MKVWHSZXTCEQJH-AWEZNQCLSA-N 1 3 311.539 4.041 20 0 DIADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1C(C)(C)C ZINC000533637923 1046771296 /nfs/dbraw/zinc/77/12/96/1046771296.db2.gz BMMJNOYUBGXCSO-CVEARBPZSA-N 1 3 300.490 4.119 20 0 DIADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1C(C)(C)C ZINC000533637923 1046771310 /nfs/dbraw/zinc/77/13/10/1046771310.db2.gz BMMJNOYUBGXCSO-CVEARBPZSA-N 1 3 300.490 4.119 20 0 DIADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc(F)c3ccccc32)C1 ZINC000645393673 1046789846 /nfs/dbraw/zinc/78/98/46/1046789846.db2.gz MNSBUDSDXBVBCX-HZPDHXFCSA-N 1 3 314.448 4.361 20 0 DIADHO CCC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(F)c3ccccc32)C1 ZINC000645393673 1046789856 /nfs/dbraw/zinc/78/98/56/1046789856.db2.gz MNSBUDSDXBVBCX-HZPDHXFCSA-N 1 3 314.448 4.361 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2ccc(F)c3ccccc32)C1 ZINC000645393673 1046789867 /nfs/dbraw/zinc/78/98/67/1046789867.db2.gz MNSBUDSDXBVBCX-HZPDHXFCSA-N 1 3 314.448 4.361 20 0 DIADHO COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)cc1CN1CCCCC1 ZINC000797129538 1046792362 /nfs/dbraw/zinc/79/23/62/1046792362.db2.gz MNPMOFVAASFERI-JTDSTZFVSA-N 1 3 316.489 4.130 20 0 DIADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNCc2ccc(O)cc2)cc1 ZINC000679392646 1046835292 /nfs/dbraw/zinc/83/52/92/1046835292.db2.gz DDBOFYLUMCGBMT-QGZVFWFLSA-N 1 3 324.468 4.056 20 0 DIADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNCc2ccc(O)cc2)cc1 ZINC000679392646 1046835314 /nfs/dbraw/zinc/83/53/14/1046835314.db2.gz DDBOFYLUMCGBMT-QGZVFWFLSA-N 1 3 324.468 4.056 20 0 DIADHO Oc1ccc(CNCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000679392604 1046837913 /nfs/dbraw/zinc/83/79/13/1046837913.db2.gz CFMHPPGCHWADJR-UHFFFAOYSA-N 1 3 324.468 4.058 20 0 DIADHO C[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)c1ccncc1 ZINC000290017025 1046863882 /nfs/dbraw/zinc/86/38/82/1046863882.db2.gz CAQRHZPCIVKQNP-AZUAARDMSA-N 1 3 323.484 4.035 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2coc3ccccc23)CC1 ZINC001140786220 1046897829 /nfs/dbraw/zinc/89/78/29/1046897829.db2.gz JHDLZBXMAKHAKE-UHFFFAOYSA-N 1 3 300.446 4.129 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2coc3ccccc23)CC1 ZINC001140786220 1046897839 /nfs/dbraw/zinc/89/78/39/1046897839.db2.gz JHDLZBXMAKHAKE-UHFFFAOYSA-N 1 3 300.446 4.129 20 0 DIADHO C[C@@H]1SCC[C@@H]1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000647361554 1046992665 /nfs/dbraw/zinc/99/26/65/1046992665.db2.gz KYLSKGHOKBSAQD-HOCLYGCPSA-N 1 3 312.567 4.149 20 0 DIADHO CC(C)CCn1cccc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000536651987 1047044630 /nfs/dbraw/zinc/04/46/30/1047044630.db2.gz FRMHAFRZPISABN-UHFFFAOYSA-N 1 3 319.537 4.086 20 0 DIADHO CC(C)CCn1cccc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000536651987 1047044647 /nfs/dbraw/zinc/04/46/47/1047044647.db2.gz FRMHAFRZPISABN-UHFFFAOYSA-N 1 3 319.537 4.086 20 0 DIADHO Cc1ccccc1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379641911 1047093018 /nfs/dbraw/zinc/09/30/18/1047093018.db2.gz DMKVQPBWGBCQIY-RXVVDRJESA-N 1 3 308.469 4.138 20 0 DIADHO Cc1ccccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379641911 1047093032 /nfs/dbraw/zinc/09/30/32/1047093032.db2.gz DMKVQPBWGBCQIY-RXVVDRJESA-N 1 3 308.469 4.138 20 0 DIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000379640718 1047093269 /nfs/dbraw/zinc/09/32/69/1047093269.db2.gz CCJVSHSZFWCPOF-WFXMLNOXSA-N 1 3 308.469 4.390 20 0 DIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000379640718 1047093278 /nfs/dbraw/zinc/09/32/78/1047093278.db2.gz CCJVSHSZFWCPOF-WFXMLNOXSA-N 1 3 308.469 4.390 20 0 DIADHO CC[NH+](CC)Cc1ccc(CNCc2ccc3c(c2)CCC3)cc1 ZINC001116136403 1047111237 /nfs/dbraw/zinc/11/12/37/1047111237.db2.gz ZLKJPGSSAKXXSK-UHFFFAOYSA-N 1 3 322.496 4.307 20 0 DIADHO CCSc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCN(CC)C1 ZINC001116289222 1047127155 /nfs/dbraw/zinc/12/71/55/1047127155.db2.gz SUGNKSMQPSFVOY-HZPDHXFCSA-N 1 3 306.519 4.181 20 0 DIADHO CC[NH+](CC)C1CCN(c2c(C)cnc3c(C)cccc32)CC1 ZINC001116624314 1047163775 /nfs/dbraw/zinc/16/37/75/1047163775.db2.gz IDBJPPXRHGTCEX-UHFFFAOYSA-N 1 3 311.473 4.162 20 0 DIADHO CC(C)[C@H](NC1CC[NH+](C2CC2)CC1)c1cc2ccccc2o1 ZINC000537351797 1047174775 /nfs/dbraw/zinc/17/47/75/1047174775.db2.gz JZGQWSGLEOJPSB-FQEVSTJZSA-N 1 3 312.457 4.346 20 0 DIADHO CC[N@@H+]1CCC[C@H](CN[C@H](c2cccnc2)C2CCCCC2)C1 ZINC001118246264 1047275953 /nfs/dbraw/zinc/27/59/53/1047275953.db2.gz PBTFMCIFJWUHQL-XLIONFOSSA-N 1 3 315.505 4.025 20 0 DIADHO CC[N@H+]1CCC[C@H](CN[C@H](c2cccnc2)C2CCCCC2)C1 ZINC001118246264 1047275962 /nfs/dbraw/zinc/27/59/62/1047275962.db2.gz PBTFMCIFJWUHQL-XLIONFOSSA-N 1 3 315.505 4.025 20 0 DIADHO CCCOc1ccc([C@H](C)NCc2ccccc2C[NH2+]C)cc1 ZINC000650758282 1047278892 /nfs/dbraw/zinc/27/88/92/1047278892.db2.gz MOGYHOKKHPYJEL-INIZCTEOSA-N 1 3 312.457 4.046 20 0 DIADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255688561 1047417449 /nfs/dbraw/zinc/41/74/49/1047417449.db2.gz BMQIUPLSRWGHQN-DGCLKSJQSA-N 1 3 306.416 4.088 20 0 DIADHO Cc1ccc(-c2ccc(CN3CC4(C3)CC[NH+](C)CC4)cc2)cc1 ZINC001142309565 1047428862 /nfs/dbraw/zinc/42/88/62/1047428862.db2.gz HNUYQTCAVAQQFE-UHFFFAOYSA-N 1 3 320.480 4.190 20 0 DIADHO Cc1ccc2ccccc2c1C[NH+]1CCC(N(C)C2CC2)CC1 ZINC001142383532 1047439115 /nfs/dbraw/zinc/43/91/15/1047439115.db2.gz IYZPHWGNGSCVRS-UHFFFAOYSA-N 1 3 308.469 4.207 20 0 DIADHO CN(Cc1cccc(Cl)c1Cl)C1CCC([NH+](C)C)CC1 ZINC001168324800 1047445975 /nfs/dbraw/zinc/44/59/75/1047445975.db2.gz XKJXCNPMSVHTEJ-UHFFFAOYSA-N 1 3 315.288 4.298 20 0 DIADHO Cc1ccsc1CN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119317707 1047449450 /nfs/dbraw/zinc/44/94/50/1047449450.db2.gz NTZPKBPDWRJDSD-UHFFFAOYSA-N 1 3 314.498 4.153 20 0 DIADHO C[C@@H](NC1CC[NH+](CC2CC2)CC1)c1cccc2ccccc21 ZINC001168352761 1047561547 /nfs/dbraw/zinc/56/15/47/1047561547.db2.gz CURBMEPDTKNISA-MRXNPFEDSA-N 1 3 308.469 4.365 20 0 DIADHO Cc1cc(Oc2ccccc2)ccc1CN1CCCC[C@@H](C[NH3+])C1 ZINC001206639914 1047593493 /nfs/dbraw/zinc/59/34/93/1047593493.db2.gz GILQNQURKOMEIR-SFHVURJKSA-N 1 3 324.468 4.348 20 0 DIADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(Cl)c(F)c1 ZINC001168356345 1047608122 /nfs/dbraw/zinc/60/81/22/1047608122.db2.gz PYUKMXDQSWQQNH-GFCCVEGCSA-N 1 3 310.844 4.004 20 0 DIADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995523 1047611721 /nfs/dbraw/zinc/61/17/21/1047611721.db2.gz QDYWEPHYVZDSPN-SJLPKXTDSA-N 1 3 300.490 4.007 20 0 DIADHO CC[NH+]1CCC(N[C@@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)CC1 ZINC000538462646 1047680315 /nfs/dbraw/zinc/68/03/15/1047680315.db2.gz SBWNSTWYONVCRV-HNAYVOBHSA-N 1 3 312.501 4.360 20 0 DIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2csc3ccccc23)[C@H](C)C1 ZINC000538717313 1047698997 /nfs/dbraw/zinc/69/89/97/1047698997.db2.gz TVPQFGBJUGZOFE-RHSMWYFYSA-N 1 3 302.487 4.063 20 0 DIADHO CC[N@H+]1CC[C@@H](N(C)Cc2csc3ccccc23)[C@H](C)C1 ZINC000538717313 1047699001 /nfs/dbraw/zinc/69/90/01/1047699001.db2.gz TVPQFGBJUGZOFE-RHSMWYFYSA-N 1 3 302.487 4.063 20 0 DIADHO CCCN1CC[C@@H](C[NH2+][C@H](c2cccs2)C2CCCC2)C1 ZINC000538985391 1047723857 /nfs/dbraw/zinc/72/38/57/1047723857.db2.gz RMKJPRCGIHIENN-YJBOKZPZSA-N 1 3 306.519 4.301 20 0 DIADHO CC(C)Sc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC000539300907 1047745409 /nfs/dbraw/zinc/74/54/09/1047745409.db2.gz QRQHKGUSUGAKSE-NVXWUHKLSA-N 1 3 306.519 4.322 20 0 DIADHO Cc1cc(C)nc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001159288147 1047826774 /nfs/dbraw/zinc/82/67/74/1047826774.db2.gz LNZCCSKBOJNXFT-OWZKRDHZSA-N 1 3 321.468 4.306 20 0 DIADHO Cc1cc(C)nc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001159288147 1047826783 /nfs/dbraw/zinc/82/67/83/1047826783.db2.gz LNZCCSKBOJNXFT-OWZKRDHZSA-N 1 3 321.468 4.306 20 0 DIADHO [NH3+]Cc1cccc(Nc2cccc(CN3CCCCC3)c2F)c1 ZINC001159650443 1047894498 /nfs/dbraw/zinc/89/44/98/1047894498.db2.gz WYPWOUWHEURFQY-UHFFFAOYSA-N 1 3 313.420 4.014 20 0 DIADHO Cc1cc2[nH]c(CNCc3ccc(C[NH+](C)C)cc3)cc2c(C)c1 ZINC000479549279 1047926641 /nfs/dbraw/zinc/92/66/41/1047926641.db2.gz GMCMHFKVMZPLLV-UHFFFAOYSA-N 1 3 321.468 4.136 20 0 DIADHO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc4[nH]ccc4c(C)n3)c2c1 ZINC001160013872 1047968932 /nfs/dbraw/zinc/96/89/32/1047968932.db2.gz WVBCBXHOXPQHKR-CYBMUJFWSA-N 1 3 318.424 4.013 20 0 DIADHO CC(C)(C)c1cc(Nc2ccccc2N2CCC([NH3+])CC2)ccn1 ZINC001160105675 1047980714 /nfs/dbraw/zinc/98/07/14/1047980714.db2.gz SYBRIJBIJKFOJX-UHFFFAOYSA-N 1 3 324.472 4.050 20 0 DIADHO CN(C)CC(C)(C)C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001198960452 1048022850 /nfs/dbraw/zinc/02/28/50/1048022850.db2.gz WJWBFBNSIGCWDS-UHFFFAOYSA-N 1 3 322.802 4.036 20 0 DIADHO CC[NH+]1CCC(N[C@H](C)c2cccc(-c3ccccc3)c2)CC1 ZINC000480046443 1048036711 /nfs/dbraw/zinc/03/67/11/1048036711.db2.gz FUIBBAPFHMYZNG-QGZVFWFLSA-N 1 3 308.469 4.489 20 0 DIADHO Cc1cc(C)c(/C=C\C[NH2+]C2CCN(C(C)(C)C)CC2)c(C)c1 ZINC001199421355 1048064310 /nfs/dbraw/zinc/06/43/10/1048064310.db2.gz UZIRHUQIRNSIKT-FPLPWBNLSA-N 1 3 314.517 4.478 20 0 DIADHO C[C@H](CCCC(F)(F)F)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000480167649 1048070546 /nfs/dbraw/zinc/07/05/46/1048070546.db2.gz JNCLUFCJSNFGJP-CQSZACIVSA-N 1 3 320.443 4.494 20 0 DIADHO C[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(Cl)cn1 ZINC000480243228 1048097963 /nfs/dbraw/zinc/09/79/63/1048097963.db2.gz RYXCLFBJQSUIHC-XHSDSOJGSA-N 1 3 323.912 4.144 20 0 DIADHO C[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(Cl)cn1 ZINC000480243228 1048097977 /nfs/dbraw/zinc/09/79/77/1048097977.db2.gz RYXCLFBJQSUIHC-XHSDSOJGSA-N 1 3 323.912 4.144 20 0 DIADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000554736963 1048168190 /nfs/dbraw/zinc/16/81/90/1048168190.db2.gz CZUBLVRVLDEGDS-QMTMVMCOSA-N 1 3 311.473 4.008 20 0 DIADHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cc(F)ccc1F ZINC000480613769 1048192427 /nfs/dbraw/zinc/19/24/27/1048192427.db2.gz QBDRMEIQVZKRLW-CABCVRRESA-N 1 3 310.432 4.270 20 0 DIADHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cc(F)ccc1F ZINC000480613769 1048192433 /nfs/dbraw/zinc/19/24/33/1048192433.db2.gz QBDRMEIQVZKRLW-CABCVRRESA-N 1 3 310.432 4.270 20 0 DIADHO Cc1csc2sc(CN3CCC[C@@H](C[NH3+])[C@H]3C)c(C)c12 ZINC001205915152 1048227210 /nfs/dbraw/zinc/22/72/10/1048227210.db2.gz OQXYGXOFUPZBRQ-OLZOCXBDSA-N 1 3 308.516 4.139 20 0 DIADHO Cc1csc2sc(CN3CCC[C@H](C[NH3+])[C@@H]3C)c(C)c12 ZINC001205915155 1048227324 /nfs/dbraw/zinc/22/73/24/1048227324.db2.gz OQXYGXOFUPZBRQ-QWHCGFSZSA-N 1 3 308.516 4.139 20 0 DIADHO CC(C)=CCC[C@H](C)CN1CCC([NH+]2CCC(F)CC2)CC1 ZINC001201491457 1048282029 /nfs/dbraw/zinc/28/20/29/1048282029.db2.gz SAVZZDKMWMWYMK-KRWDZBQOSA-N 1 3 310.501 4.267 20 0 DIADHO C[C@H]([NH2+]CCCCc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000481051750 1048302318 /nfs/dbraw/zinc/30/23/18/1048302318.db2.gz CLZQACVAJDMNFH-ICSRJNTNSA-N 1 3 314.517 4.252 20 0 DIADHO CC(C)CC[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)C1CC1 ZINC000555235895 1048304811 /nfs/dbraw/zinc/30/48/11/1048304811.db2.gz OGTUJHCXNOSMCB-QRFRQXIXSA-N 1 3 306.538 4.444 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000481308005 1048360736 /nfs/dbraw/zinc/36/07/36/1048360736.db2.gz ACMTVWYITUWBOK-RDTXWAMCSA-N 1 3 306.881 4.039 20 0 DIADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000481308005 1048360747 /nfs/dbraw/zinc/36/07/47/1048360747.db2.gz ACMTVWYITUWBOK-RDTXWAMCSA-N 1 3 306.881 4.039 20 0 DIADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000481308005 1048360760 /nfs/dbraw/zinc/36/07/60/1048360760.db2.gz ACMTVWYITUWBOK-RDTXWAMCSA-N 1 3 306.881 4.039 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@H](CCC(C)C)c2ccc(OC)cc2)C1 ZINC000481301217 1048361529 /nfs/dbraw/zinc/36/15/29/1048361529.db2.gz XZTDOXZKAZAIQU-YLJYHZDGSA-N 1 3 318.505 4.104 20 0 DIADHO CC[N@@H+]1CC[C@H](CN[C@H](CCC(C)C)c2ccc(OC)cc2)C1 ZINC000481301217 1048361546 /nfs/dbraw/zinc/36/15/46/1048361546.db2.gz XZTDOXZKAZAIQU-YLJYHZDGSA-N 1 3 318.505 4.104 20 0 DIADHO CC[N@H+]1CC[C@H](CN[C@H](CCC(C)C)c2ccc(OC)cc2)C1 ZINC000481301217 1048361561 /nfs/dbraw/zinc/36/15/61/1048361561.db2.gz XZTDOXZKAZAIQU-YLJYHZDGSA-N 1 3 318.505 4.104 20 0 DIADHO CCCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(CC)C2)cc1 ZINC000481319100 1048364229 /nfs/dbraw/zinc/36/42/29/1048364229.db2.gz FKFLOCGKPVSDIU-ROUUACIJSA-N 1 3 318.505 4.248 20 0 DIADHO CCCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(CC)C2)cc1 ZINC000481319098 1048364544 /nfs/dbraw/zinc/36/45/44/1048364544.db2.gz FKFLOCGKPVSDIU-MSOLQXFVSA-N 1 3 318.505 4.248 20 0 DIADHO CC[C@@H]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC001201947418 1048407727 /nfs/dbraw/zinc/40/77/27/1048407727.db2.gz YJBQKJTZMXEXCS-ZSYWTGECSA-N 1 3 306.538 4.445 20 0 DIADHO CC[N@H+](Cc1ccccc1)C1CCN(CCC(C)(C)C)CC1 ZINC001202086472 1048446813 /nfs/dbraw/zinc/44/68/13/1048446813.db2.gz AEJMXBWLDLUFNE-UHFFFAOYSA-N 1 3 302.506 4.409 20 0 DIADHO CC[N@@H+](Cc1ccccc1)C1CCN(CCC(C)(C)C)CC1 ZINC001202086472 1048446818 /nfs/dbraw/zinc/44/68/18/1048446818.db2.gz AEJMXBWLDLUFNE-UHFFFAOYSA-N 1 3 302.506 4.409 20 0 DIADHO CC[C@H](Cc1ccccc1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000482246660 1048575087 /nfs/dbraw/zinc/57/50/87/1048575087.db2.gz KNSXGXWMHGGOAD-LJQANCHMSA-N 1 3 314.517 4.394 20 0 DIADHO CCC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc(OC)cc1 ZINC000482340552 1048590380 /nfs/dbraw/zinc/59/03/80/1048590380.db2.gz ATOXMFDLGKKADR-PXNSSMCTSA-N 1 3 318.505 4.246 20 0 DIADHO Cc1ccc([C@@H](C)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000482448291 1048608198 /nfs/dbraw/zinc/60/81/98/1048608198.db2.gz FSCJAPCJWSDSRQ-TZIWHRDSSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000482448291 1048608203 /nfs/dbraw/zinc/60/82/03/1048608203.db2.gz FSCJAPCJWSDSRQ-TZIWHRDSSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000482448291 1048608207 /nfs/dbraw/zinc/60/82/07/1048608207.db2.gz FSCJAPCJWSDSRQ-TZIWHRDSSA-N 1 3 322.496 4.210 20 0 DIADHO C[NH+](C)CCOc1ccc(Nc2ccnc(C(C)(C)C)c2)cc1 ZINC001176223706 1048609204 /nfs/dbraw/zinc/60/92/04/1048609204.db2.gz IDDLZABNXALWQT-UHFFFAOYSA-N 1 3 313.445 4.063 20 0 DIADHO COc1ccc([C@@H](C)[NH2+]C2CCCC2)cc1CN1CCCCC1 ZINC000775362990 1048703653 /nfs/dbraw/zinc/70/36/53/1048703653.db2.gz NZJTZZUQUYAPJJ-MRXNPFEDSA-N 1 3 316.489 4.274 20 0 DIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C2CCCC2)ccc1OC ZINC000775361311 1048704655 /nfs/dbraw/zinc/70/46/55/1048704655.db2.gz JSOQJPNUYYQXOU-HNNXBMFYSA-N 1 3 304.478 4.130 20 0 DIADHO CCN(CC)C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001190319597 1048714982 /nfs/dbraw/zinc/71/49/82/1048714982.db2.gz XBZGFLIHCHOCTI-OAQYLSRUSA-N 1 3 310.485 4.244 20 0 DIADHO CCN(CC)C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001190319597 1048714995 /nfs/dbraw/zinc/71/49/95/1048714995.db2.gz XBZGFLIHCHOCTI-OAQYLSRUSA-N 1 3 310.485 4.244 20 0 DIADHO CCN(CC)C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001190319596 1048716057 /nfs/dbraw/zinc/71/60/57/1048716057.db2.gz XBZGFLIHCHOCTI-NRFANRHFSA-N 1 3 310.485 4.244 20 0 DIADHO CCN(CC)C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001190319596 1048716070 /nfs/dbraw/zinc/71/60/70/1048716070.db2.gz XBZGFLIHCHOCTI-NRFANRHFSA-N 1 3 310.485 4.244 20 0 DIADHO CN1CCC[C@H]1CC[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000483119630 1048736506 /nfs/dbraw/zinc/73/65/06/1048736506.db2.gz KTOLDMVFRCOSHL-SFHVURJKSA-N 1 3 306.881 4.004 20 0 DIADHO C[N@@H+]1CCC[C@H]1CCN1CCC(c2cccc(Cl)c2)CC1 ZINC000483119630 1048736516 /nfs/dbraw/zinc/73/65/16/1048736516.db2.gz KTOLDMVFRCOSHL-SFHVURJKSA-N 1 3 306.881 4.004 20 0 DIADHO C[N@H+]1CCC[C@H]1CCN1CCC(c2cccc(Cl)c2)CC1 ZINC000483119630 1048736528 /nfs/dbraw/zinc/73/65/28/1048736528.db2.gz KTOLDMVFRCOSHL-SFHVURJKSA-N 1 3 306.881 4.004 20 0 DIADHO COc1ccc([C@H](C)[NH2+]C2CC=CC2)cc1CN1CCCCC1 ZINC000775401942 1048766331 /nfs/dbraw/zinc/76/63/31/1048766331.db2.gz WHWFCFKYECGFPV-INIZCTEOSA-N 1 3 314.473 4.050 20 0 DIADHO CN1CCC[C@@H]1CC[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC001190628359 1048770569 /nfs/dbraw/zinc/77/05/69/1048770569.db2.gz XEKBCHNCQMKHRO-HXUWFJFHSA-N 1 3 320.480 4.413 20 0 DIADHO CN1CCC[C@@H]1CC[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC001190628359 1048770585 /nfs/dbraw/zinc/77/05/85/1048770585.db2.gz XEKBCHNCQMKHRO-HXUWFJFHSA-N 1 3 320.480 4.413 20 0 DIADHO C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000483495367 1048805206 /nfs/dbraw/zinc/80/52/06/1048805206.db2.gz YTOSEDBBLDIPMZ-TYCQWZJGSA-N 1 3 308.469 4.317 20 0 DIADHO C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000483495367 1048805216 /nfs/dbraw/zinc/80/52/16/1048805216.db2.gz YTOSEDBBLDIPMZ-TYCQWZJGSA-N 1 3 308.469 4.317 20 0 DIADHO Cc1nc2ccc(NC[C@H](c3ccccc3)[NH+]3CCCC3)cc2[nH]1 ZINC001166900569 1048810848 /nfs/dbraw/zinc/81/08/48/1048810848.db2.gz LAUGEZYKLKHIDA-HXUWFJFHSA-N 1 3 320.440 4.120 20 0 DIADHO CC(C)N(C)CCC[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC001177231601 1048852188 /nfs/dbraw/zinc/85/21/88/1048852188.db2.gz XAJYXGZMGCICDW-VQTJNVASSA-N 1 3 302.506 4.423 20 0 DIADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2sccc2Cl)C1 ZINC001177290783 1048858372 /nfs/dbraw/zinc/85/83/72/1048858372.db2.gz XWXBVLADNLFIGH-OKILXGFUSA-N 1 3 314.926 4.249 20 0 DIADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2sccc2Cl)C1 ZINC001177290783 1048858387 /nfs/dbraw/zinc/85/83/87/1048858387.db2.gz XWXBVLADNLFIGH-OKILXGFUSA-N 1 3 314.926 4.249 20 0 DIADHO Cc1cc(C)c([C@H](C)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(C)c1 ZINC001191255184 1048897817 /nfs/dbraw/zinc/89/78/17/1048897817.db2.gz CECIOLBAVLARTH-OALUTQOASA-N 1 3 302.506 4.479 20 0 DIADHO Cc1cc(C)c([C@H](C)N(C)CC[C@@H]2CCCC[N@H+]2C)c(C)c1 ZINC001191255184 1048897832 /nfs/dbraw/zinc/89/78/32/1048897832.db2.gz CECIOLBAVLARTH-OALUTQOASA-N 1 3 302.506 4.479 20 0 DIADHO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC[C@H]2CCCN2C)o1 ZINC001191260078 1048900167 /nfs/dbraw/zinc/90/01/67/1048900167.db2.gz ZFSWUDGQLRVLJI-NUJGCVRESA-N 1 3 304.478 4.099 20 0 DIADHO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CC[C@H]2CCCN2C)o1 ZINC001191260078 1048900180 /nfs/dbraw/zinc/90/01/80/1048900180.db2.gz ZFSWUDGQLRVLJI-NUJGCVRESA-N 1 3 304.478 4.099 20 0 DIADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(-c2ccncc2)cc1 ZINC000484492251 1048946015 /nfs/dbraw/zinc/94/60/15/1048946015.db2.gz MSXOGUQFEKCIFS-ORYQWCPZSA-N 1 3 323.484 4.272 20 0 DIADHO CSc1ccccc1[C@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000194920173 1048968005 /nfs/dbraw/zinc/96/80/05/1048968005.db2.gz BEXLPXQYBUGEGV-AWEZNQCLSA-N 1 3 306.519 4.322 20 0 DIADHO CSc1ccccc1[C@@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000194920187 1048968771 /nfs/dbraw/zinc/96/87/71/1048968771.db2.gz BEXLPXQYBUGEGV-CQSZACIVSA-N 1 3 306.519 4.322 20 0 DIADHO CN1CCc2ccc(Nc3ccc(C[NH+]4CCCC4)cc3)cc2C1 ZINC001203827379 1049012483 /nfs/dbraw/zinc/01/24/83/1049012483.db2.gz ZOBBJHSBTVHHLH-UHFFFAOYSA-N 1 3 321.468 4.014 20 0 DIADHO c1ccc(Sc2ccc(CNCCC[NH+]3CCC3)cc2)cc1 ZINC001178398554 1049026228 /nfs/dbraw/zinc/02/62/28/1049026228.db2.gz RTUBRJVTBWTJLS-UHFFFAOYSA-N 1 3 312.482 4.023 20 0 DIADHO CC(C)c1cccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC001192324795 1049079614 /nfs/dbraw/zinc/07/96/14/1049079614.db2.gz LURIUJXBCNIBIK-TZIWHRDSSA-N 1 3 312.501 4.259 20 0 DIADHO CC(C)c1cccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC001192324795 1049079626 /nfs/dbraw/zinc/07/96/26/1049079626.db2.gz LURIUJXBCNIBIK-TZIWHRDSSA-N 1 3 312.501 4.259 20 0 DIADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1C[C@H]1C1CCCC1 ZINC001204087429 1049080639 /nfs/dbraw/zinc/08/06/39/1049080639.db2.gz BLWUNLFVRBMWCV-XLIONFOSSA-N 1 3 304.522 4.199 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccnc2ccccc12 ZINC001204091742 1049083494 /nfs/dbraw/zinc/08/34/94/1049083494.db2.gz RPUJXSTXAJXKII-RBUKOAKNSA-N 1 3 323.484 4.074 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccnc2ccccc12 ZINC001204091742 1049083502 /nfs/dbraw/zinc/08/35/02/1049083502.db2.gz RPUJXSTXAJXKII-RBUKOAKNSA-N 1 3 323.484 4.074 20 0 DIADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1ccnc2ccccc12 ZINC001204091742 1049083515 /nfs/dbraw/zinc/08/35/15/1049083515.db2.gz RPUJXSTXAJXKII-RBUKOAKNSA-N 1 3 323.484 4.074 20 0 DIADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1ccnc2ccccc12 ZINC001204091742 1049083526 /nfs/dbraw/zinc/08/35/26/1049083526.db2.gz RPUJXSTXAJXKII-RBUKOAKNSA-N 1 3 323.484 4.074 20 0 DIADHO Cc1c2cccc(Cl)c2sc1CNC[C@H](C)C[NH+](C)C ZINC001178811747 1049092078 /nfs/dbraw/zinc/09/20/78/1049092078.db2.gz WYYQPOZYGBOFLE-NSHDSACASA-N 1 3 310.894 4.150 20 0 DIADHO CN1CCCC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3)cc2)C1 ZINC001179159042 1049137638 /nfs/dbraw/zinc/13/76/38/1049137638.db2.gz HRKPYJHFIZDYMS-IBGZPJMESA-N 1 3 308.469 4.175 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@@H]3CC[C@H]4C[N@@H+](C)C[C@@H]43)c2)cc1 ZINC001179815317 1049211168 /nfs/dbraw/zinc/21/11/68/1049211168.db2.gz FXQWNFBTOPEUNU-FDFHNCONSA-N 1 3 320.480 4.092 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@@H]3CC[C@H]4C[N@H+](C)C[C@@H]43)c2)cc1 ZINC001179815317 1049211176 /nfs/dbraw/zinc/21/11/76/1049211176.db2.gz FXQWNFBTOPEUNU-FDFHNCONSA-N 1 3 320.480 4.092 20 0 DIADHO Cc1ccc(-c2cccc(C[NH2+][C@@H]3CC[C@H]4CN(C)C[C@@H]43)c2)cc1 ZINC001179815317 1049211187 /nfs/dbraw/zinc/21/11/87/1049211187.db2.gz FXQWNFBTOPEUNU-FDFHNCONSA-N 1 3 320.480 4.092 20 0 DIADHO Cc1ccccc1SC[C@H](C)C[N@H+](C)CCCN1CCCC1 ZINC001193848130 1049274819 /nfs/dbraw/zinc/27/48/19/1049274819.db2.gz AIMIMXRPQQAZNI-QGZVFWFLSA-N 1 3 320.546 4.141 20 0 DIADHO Cc1ccccc1SC[C@H](C)C[N@@H+](C)CCCN1CCCC1 ZINC001193848130 1049274828 /nfs/dbraw/zinc/27/48/28/1049274828.db2.gz AIMIMXRPQQAZNI-QGZVFWFLSA-N 1 3 320.546 4.141 20 0 DIADHO Cc1ccccc1SC[C@H](C)CN(C)CCC[NH+]1CCCC1 ZINC001193848130 1049274841 /nfs/dbraw/zinc/27/48/41/1049274841.db2.gz AIMIMXRPQQAZNI-QGZVFWFLSA-N 1 3 320.546 4.141 20 0 DIADHO Cc1ccccc1N(C)c1ccc(CN2CCC[C@H]([NH3+])CC2)cc1 ZINC001205117149 1049384299 /nfs/dbraw/zinc/38/42/99/1049384299.db2.gz LYGADLIBARGQFT-IBGZPJMESA-N 1 3 323.484 4.076 20 0 DIADHO [NH3+][C@@H]1CCCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC001205117916 1049384466 /nfs/dbraw/zinc/38/44/66/1049384466.db2.gz YVTQALXSBRJYEV-LJQANCHMSA-N 1 3 314.860 4.320 20 0 DIADHO C[C@H]1CN(Cc2ccccc2-c2ccccc2Cl)C[C@H]1C[NH3+] ZINC001205141249 1049392743 /nfs/dbraw/zinc/39/27/43/1049392743.db2.gz ZJCQSKSZTBPPFE-GOEBONIOSA-N 1 3 314.860 4.034 20 0 DIADHO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC001205385394 1049455979 /nfs/dbraw/zinc/45/59/79/1049455979.db2.gz DTZUMTHPBXQNNX-WJFTUGDTSA-N 1 3 306.538 4.445 20 0 DIADHO CC[C@H](CCc1ccccc1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC001205390681 1049457119 /nfs/dbraw/zinc/45/71/19/1049457119.db2.gz CPIYTZQVLBEAKJ-AZUAARDMSA-N 1 3 302.506 4.252 20 0 DIADHO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1)CN1CCCC1 ZINC001181427855 1049473472 /nfs/dbraw/zinc/47/34/72/1049473472.db2.gz PCRKQHDSLHKBHB-UXHICEINSA-N 1 3 314.517 4.424 20 0 DIADHO C[C@H](CNC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC001205555065 1049497489 /nfs/dbraw/zinc/49/74/89/1049497489.db2.gz OGFAXVNYDYQMOY-OXQOHEQNSA-N 1 3 318.480 4.316 20 0 DIADHO C[C@H](CNC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC001205555065 1049497496 /nfs/dbraw/zinc/49/74/96/1049497496.db2.gz OGFAXVNYDYQMOY-OXQOHEQNSA-N 1 3 318.480 4.316 20 0 DIADHO Cc1cc(Cl)c(CN2CC[C@@H](C)[C@H](C[NH3+])CC2)c(Cl)c1 ZINC001205639445 1049517726 /nfs/dbraw/zinc/51/77/26/1049517726.db2.gz ZAMVSLCNOPTXBY-OLZOCXBDSA-N 1 3 315.288 4.109 20 0 DIADHO Cc1ccc(CN2CC[C@@H](C)[C@H](C[NH3+])CC2)c(Cl)c1Cl ZINC001205639087 1049519409 /nfs/dbraw/zinc/51/94/09/1049519409.db2.gz VOOYMEZQFMJVOT-YPMHNXCESA-N 1 3 315.288 4.109 20 0 DIADHO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC001205645515 1049521232 /nfs/dbraw/zinc/52/12/32/1049521232.db2.gz JFHNNJPYELZPMI-SFHVURJKSA-N 1 3 316.533 4.454 20 0 DIADHO Cc1ccc(Cl)c(CN2CC[C@H](C)[C@@H](C[NH3+])CC2)c1Cl ZINC001205651787 1049524222 /nfs/dbraw/zinc/52/42/22/1049524222.db2.gz JWQYRVQKYFUQDO-WCQYABFASA-N 1 3 315.288 4.109 20 0 DIADHO CCN(CCC[NH+](CC)CC)C[C@H](C)c1cccc(Cl)c1 ZINC001205685464 1049533200 /nfs/dbraw/zinc/53/32/00/1049533200.db2.gz VRDYOERRJJAMJC-INIZCTEOSA-N 1 3 310.913 4.497 20 0 DIADHO CCN(CC)CCC[N@H+](CC)C[C@H](C)c1cccc(Cl)c1 ZINC001205685464 1049533218 /nfs/dbraw/zinc/53/32/18/1049533218.db2.gz VRDYOERRJJAMJC-INIZCTEOSA-N 1 3 310.913 4.497 20 0 DIADHO CCN(CC)CCC[N@@H+](CC)C[C@H](C)c1cccc(Cl)c1 ZINC001205685464 1049533230 /nfs/dbraw/zinc/53/32/30/1049533230.db2.gz VRDYOERRJJAMJC-INIZCTEOSA-N 1 3 310.913 4.497 20 0 DIADHO Cc1cc(C)c(/C=C\C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c(C)c1 ZINC001205757964 1049556125 /nfs/dbraw/zinc/55/61/25/1049556125.db2.gz JLYKKTNFBPYXDE-MCWYWBIJSA-N 1 3 312.501 4.182 20 0 DIADHO Cc1cc(C)c(/C=C\C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c(C)c1 ZINC001205757964 1049556134 /nfs/dbraw/zinc/55/61/34/1049556134.db2.gz JLYKKTNFBPYXDE-MCWYWBIJSA-N 1 3 312.501 4.182 20 0 DIADHO C[C@H]1[C@H](C[NH3+])CCCN1Cc1cc(-c2ccsc2)cs1 ZINC001205915145 1049601895 /nfs/dbraw/zinc/60/18/95/1049601895.db2.gz OONCVWORQORHMX-STQMWFEESA-N 1 3 306.500 4.036 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC001205980948 1049617072 /nfs/dbraw/zinc/61/70/72/1049617072.db2.gz UBMKFKRQOPOPPL-ICSRJNTNSA-N 1 3 314.517 4.423 20 0 DIADHO C[C@@H]1CC[N@H+](Cc2cccc3c4ccccc4sc32)C[C@H]1N ZINC001206043616 1049639594 /nfs/dbraw/zinc/63/95/94/1049639594.db2.gz NOXGVEKMPHBTOE-CXAGYDPISA-N 1 3 310.466 4.224 20 0 DIADHO C[C@@H]1CC[N@@H+](Cc2cccc3c4ccccc4sc32)C[C@H]1N ZINC001206043616 1049639597 /nfs/dbraw/zinc/63/95/97/1049639597.db2.gz NOXGVEKMPHBTOE-CXAGYDPISA-N 1 3 310.466 4.224 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)CS1 ZINC000488432024 1049653242 /nfs/dbraw/zinc/65/32/42/1049653242.db2.gz IFZLVADUWNFWKD-MSOLQXFVSA-N 1 3 324.578 4.151 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H](NC2CC[NH+](CC3CCCC3)CC2)CS1 ZINC000488432024 1049653250 /nfs/dbraw/zinc/65/32/50/1049653250.db2.gz IFZLVADUWNFWKD-MSOLQXFVSA-N 1 3 324.578 4.151 20 0 DIADHO C[C@H]1CNCC[N@H+](Cc2ccccc2-c2ccc(Cl)cc2)C1 ZINC001206276782 1049696449 /nfs/dbraw/zinc/69/64/49/1049696449.db2.gz JPZUABRCXUXMQN-HNNXBMFYSA-N 1 3 314.860 4.048 20 0 DIADHO C[C@H]1CNCC[N@@H+](Cc2ccccc2-c2ccc(Cl)cc2)C1 ZINC001206276782 1049696456 /nfs/dbraw/zinc/69/64/56/1049696456.db2.gz JPZUABRCXUXMQN-HNNXBMFYSA-N 1 3 314.860 4.048 20 0 DIADHO CC(C)Oc1ccc(Cl)cc1CN1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304351 1049706965 /nfs/dbraw/zinc/70/69/65/1049706965.db2.gz JCSLHFBPPCHROL-GOSISDBHSA-N 1 3 324.896 4.078 20 0 DIADHO CC1([NH+]2CCC2)CCN(CCCc2cccc3ccccc32)CC1 ZINC001197263924 1049733800 /nfs/dbraw/zinc/73/38/00/1049733800.db2.gz GPNMRBKTNDLSIX-UHFFFAOYSA-N 1 3 322.496 4.333 20 0 DIADHO Cc1cc(CN2CCCC[C@](C)(C[NH3+])C2)cc(C)c1OC(C)C ZINC001206572530 1049759054 /nfs/dbraw/zinc/75/90/54/1049759054.db2.gz CGNBRXPXERAESS-HXUWFJFHSA-N 1 3 318.505 4.042 20 0 DIADHO CC(C)[N@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)[C@H]1CCCNCC1 ZINC001206580128 1049761854 /nfs/dbraw/zinc/76/18/54/1049761854.db2.gz CJKLZRBQRFAZBM-YTQUADARSA-N 1 3 320.908 4.296 20 0 DIADHO CC(C)[N@@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)[C@H]1CCCNCC1 ZINC001206580128 1049761863 /nfs/dbraw/zinc/76/18/63/1049761863.db2.gz CJKLZRBQRFAZBM-YTQUADARSA-N 1 3 320.908 4.296 20 0 DIADHO CC(C)N(Cc1ccc(-c2ccccn2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC001206592189 1049763574 /nfs/dbraw/zinc/76/35/74/1049763574.db2.gz YALYMZNBGYUMTH-HXUWFJFHSA-N 1 3 323.484 4.101 20 0 DIADHO CC(C)N(Cc1ccc(-c2ccccn2)cc1)[C@H]1CCC[NH2+]CC1 ZINC001206592187 1049764619 /nfs/dbraw/zinc/76/46/19/1049764619.db2.gz YALYMZNBGYUMTH-FQEVSTJZSA-N 1 3 323.484 4.101 20 0 DIADHO CC(C)N(Cc1cc2ccc(Cl)cc2[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC001206599115 1049765166 /nfs/dbraw/zinc/76/51/66/1049765166.db2.gz NYUVRTZAZMZLRH-QGZVFWFLSA-N 1 3 319.880 4.174 20 0 DIADHO Cc1ccc(OC(C)C)cc1CN(C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206599466 1049766274 /nfs/dbraw/zinc/76/62/74/1049766274.db2.gz SDVAKLCEXYPEKU-LJQANCHMSA-N 1 3 318.505 4.135 20 0 DIADHO [NH3+]C[C@H]1CCCCN(Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001206606537 1049769056 /nfs/dbraw/zinc/76/90/56/1049769056.db2.gz OMLSUZPSCKTSMA-GOSISDBHSA-N 1 3 310.441 4.040 20 0 DIADHO CN1CCCC[C@H](C[NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC001206680861 1049778093 /nfs/dbraw/zinc/77/80/93/1049778093.db2.gz VOABZRXUQNXDPG-LJQANCHMSA-N 1 3 322.496 4.140 20 0 DIADHO CC[N@H+](Cc1ccc(C(F)(F)F)cc1)CC(C)(C)CN(C)C ZINC001207289001 1049875885 /nfs/dbraw/zinc/87/58/85/1049875885.db2.gz XRNKQZDKBZVDFU-UHFFFAOYSA-N 1 3 316.411 4.115 20 0 DIADHO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)CC(C)(C)CN(C)C ZINC001207289001 1049875891 /nfs/dbraw/zinc/87/58/91/1049875891.db2.gz XRNKQZDKBZVDFU-UHFFFAOYSA-N 1 3 316.411 4.115 20 0 DIADHO c1ccc(C2(C[N@H+]3CCCC[C@H]3CCN3CCCC3)CC2)cc1 ZINC001207838833 1049943790 /nfs/dbraw/zinc/94/37/90/1049943790.db2.gz URALFOGDYRXYRL-FQEVSTJZSA-N 1 3 312.501 4.059 20 0 DIADHO c1ccc(C2(C[N@@H+]3CCCC[C@H]3CCN3CCCC3)CC2)cc1 ZINC001207838833 1049943799 /nfs/dbraw/zinc/94/37/99/1049943799.db2.gz URALFOGDYRXYRL-FQEVSTJZSA-N 1 3 312.501 4.059 20 0 DIADHO c1ccc(C2(CN3CCCC[C@H]3CC[NH+]3CCCC3)CC2)cc1 ZINC001207838833 1049943807 /nfs/dbraw/zinc/94/38/07/1049943807.db2.gz URALFOGDYRXYRL-FQEVSTJZSA-N 1 3 312.501 4.059 20 0 DIADHO C[C@H](C[N@@H+]1CCCC[C@@H]1CCN1CCCC1)c1ccccc1 ZINC001207907763 1049952611 /nfs/dbraw/zinc/95/26/11/1049952611.db2.gz XPJZAOKEIDQFGN-UYAOXDASSA-N 1 3 300.490 4.131 20 0 DIADHO C[C@H](C[N@H+]1CCCC[C@@H]1CCN1CCCC1)c1ccccc1 ZINC001207907763 1049952619 /nfs/dbraw/zinc/95/26/19/1049952619.db2.gz XPJZAOKEIDQFGN-UYAOXDASSA-N 1 3 300.490 4.131 20 0 DIADHO CC(C)c1ccc(C[C@H](C)C[NH+]2CCC(N(C)C)CC2)cc1 ZINC001207933404 1049957620 /nfs/dbraw/zinc/95/76/20/1049957620.db2.gz ZBVMYRCHXKQFPX-KRWDZBQOSA-N 1 3 302.506 4.015 20 0 DIADHO CC(C)c1ccc(C[C@H](C)CN2CCC([NH+](C)C)CC2)cc1 ZINC001207933404 1049957626 /nfs/dbraw/zinc/95/76/26/1049957626.db2.gz ZBVMYRCHXKQFPX-KRWDZBQOSA-N 1 3 302.506 4.015 20 0 DIADHO C[NH+]1CCC(N(CCC2CCCCC2)Cc2ccco2)CC1 ZINC000572080981 1049991406 /nfs/dbraw/zinc/99/14/06/1049991406.db2.gz PNNNTOIMSFAPHC-UHFFFAOYSA-N 1 3 304.478 4.146 20 0 DIADHO CC(C)(CCN1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC001208669702 1050000789 /nfs/dbraw/zinc/00/07/89/1050000789.db2.gz QNIXROPCFYKIAQ-UHFFFAOYSA-N 1 3 314.517 4.305 20 0 DIADHO CCCN1C[C@@H]2C[NH+](C[C@H](C)c3cccc4ccccc43)C[C@H]2C1 ZINC001208710616 1050005513 /nfs/dbraw/zinc/00/55/13/1050005513.db2.gz RCADQZOHARSDPX-DFQSSKMNSA-N 1 3 322.496 4.217 20 0 DIADHO CCC[NH+]1C[C@@H]2CN(C[C@H](C)c3cccc4ccccc43)C[C@H]2C1 ZINC001208710616 1050005516 /nfs/dbraw/zinc/00/55/16/1050005516.db2.gz RCADQZOHARSDPX-DFQSSKMNSA-N 1 3 322.496 4.217 20 0 DIADHO Fc1ccc(CCC[N@@H+]2CCCC[C@H]2CCN2CCCC2)cc1 ZINC001208774033 1050009249 /nfs/dbraw/zinc/00/92/49/1050009249.db2.gz XRHLPNRQTIOEML-FQEVSTJZSA-N 1 3 318.480 4.099 20 0 DIADHO Fc1ccc(CCC[N@H+]2CCCC[C@H]2CCN2CCCC2)cc1 ZINC001208774033 1050009253 /nfs/dbraw/zinc/00/92/53/1050009253.db2.gz XRHLPNRQTIOEML-FQEVSTJZSA-N 1 3 318.480 4.099 20 0 DIADHO Fc1ccc(CCCN2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001208774033 1050009258 /nfs/dbraw/zinc/00/92/58/1050009258.db2.gz XRHLPNRQTIOEML-FQEVSTJZSA-N 1 3 318.480 4.099 20 0 DIADHO c1ccc(C[N@H+]2CCC[C@@H](CN3CC4(C3)CCCCC4)C2)cc1 ZINC001208938254 1050026702 /nfs/dbraw/zinc/02/67/02/1050026702.db2.gz AIBCPYJXYUDQIH-HXUWFJFHSA-N 1 3 312.501 4.165 20 0 DIADHO c1ccc(C[N@@H+]2CCC[C@@H](CN3CC4(C3)CCCCC4)C2)cc1 ZINC001208938254 1050026709 /nfs/dbraw/zinc/02/67/09/1050026709.db2.gz AIBCPYJXYUDQIH-HXUWFJFHSA-N 1 3 312.501 4.165 20 0 DIADHO c1ccc(C[N@H+]2CCC[C@H](CN3CC[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208938163 1050027087 /nfs/dbraw/zinc/02/70/87/1050027087.db2.gz VIBFIHNOEMNUJX-PCCBWWKXSA-N 1 3 312.501 4.021 20 0 DIADHO c1ccc(C[N@@H+]2CCC[C@H](CN3CC[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208938163 1050027090 /nfs/dbraw/zinc/02/70/90/1050027090.db2.gz VIBFIHNOEMNUJX-PCCBWWKXSA-N 1 3 312.501 4.021 20 0 DIADHO c1ccc(CN2CCC[C@H](C[N@@H+]3CC[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208938163 1050027093 /nfs/dbraw/zinc/02/70/93/1050027093.db2.gz VIBFIHNOEMNUJX-PCCBWWKXSA-N 1 3 312.501 4.021 20 0 DIADHO c1ccc(CN2CCC[C@H](C[N@H+]3CC[C@@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208938163 1050027096 /nfs/dbraw/zinc/02/70/96/1050027096.db2.gz VIBFIHNOEMNUJX-PCCBWWKXSA-N 1 3 312.501 4.021 20 0 DIADHO Cc1ccccc1CN(C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208937843 1050028145 /nfs/dbraw/zinc/02/81/45/1050028145.db2.gz VKYHPQRFMVUXGN-OAQYLSRUSA-N 1 3 322.496 4.339 20 0 DIADHO Cc1ccccc1CN(C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208937843 1050028149 /nfs/dbraw/zinc/02/81/49/1050028149.db2.gz VKYHPQRFMVUXGN-OAQYLSRUSA-N 1 3 322.496 4.339 20 0 DIADHO c1ccc(C[N@H+]2CCC[C@H](CN3CC4CCC(CC4)C3)C2)cc1 ZINC001208943587 1050028903 /nfs/dbraw/zinc/02/89/03/1050028903.db2.gz LZAJFIQHVZRBPZ-CBNMVNINSA-N 1 3 312.501 4.021 20 0 DIADHO c1ccc(C[N@@H+]2CCC[C@H](CN3CC4CCC(CC4)C3)C2)cc1 ZINC001208943587 1050028908 /nfs/dbraw/zinc/02/89/08/1050028908.db2.gz LZAJFIQHVZRBPZ-CBNMVNINSA-N 1 3 312.501 4.021 20 0 DIADHO c1ccc(CN2CCC[C@H](C[NH+]3CC4CCC(CC4)C3)C2)cc1 ZINC001208943587 1050028911 /nfs/dbraw/zinc/02/89/11/1050028911.db2.gz LZAJFIQHVZRBPZ-CBNMVNINSA-N 1 3 312.501 4.021 20 0 DIADHO CS[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000593653308 1050432814 /nfs/dbraw/zinc/43/28/14/1050432814.db2.gz CDUSFIYRAOJRFV-QZTJIDSGSA-N 1 3 310.551 4.047 20 0 DIADHO CC(C)CCC[C@@H](C)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001170072241 1050595483 /nfs/dbraw/zinc/59/54/83/1050595483.db2.gz ZSCGSRLJVILWPE-GOSISDBHSA-N 1 3 317.521 4.098 20 0 DIADHO C[C@]1(CC[NH2+]C2CCN(C3CCCCC3)CC2)C[C@]1(F)Cl ZINC000846032874 1050651315 /nfs/dbraw/zinc/65/13/15/1050651315.db2.gz MZXMLNVDLYHHMD-DLBZAZTESA-N 1 3 316.892 4.078 20 0 DIADHO C[NH+]1CCC(CN(Cc2c(F)cccc2F)C2CCCC2)CC1 ZINC000788480965 1050687177 /nfs/dbraw/zinc/68/71/77/1050687177.db2.gz DFIXMNZAWICPCH-UHFFFAOYSA-N 1 3 322.443 4.051 20 0 DIADHO C[NH+]1CCC(CN2Cc3ccccc3-c3ccccc3C2)CC1 ZINC000788475684 1050688584 /nfs/dbraw/zinc/68/85/84/1050688584.db2.gz JDISYEUXYNPJLZ-UHFFFAOYSA-N 1 3 306.453 4.011 20 0 DIADHO C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001170117880 1050881169 /nfs/dbraw/zinc/88/11/69/1050881169.db2.gz OLRWWXGYOUZQSO-DNVCBOLYSA-N 1 3 320.908 4.330 20 0 DIADHO COc1cccc([C@H](C)C[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)c1 ZINC001171629533 1051173057 /nfs/dbraw/zinc/17/30/57/1051173057.db2.gz VYRCMSCYLBHYOZ-OAHLLOKOSA-N 1 3 318.505 4.040 20 0 DIADHO CCCC[NH+]1CCC(N(C)[C@@H](C)Cc2ccccc2Cl)CC1 ZINC001170292268 1051177524 /nfs/dbraw/zinc/17/75/24/1051177524.db2.gz INMLGDLVQWJJTN-INIZCTEOSA-N 1 3 322.924 4.467 20 0 DIADHO C[NH+]1C(C)(C)CC(N[C@H]2C[C@H]2c2cccc(Cl)c2)CC1(C)C ZINC001171623412 1051178807 /nfs/dbraw/zinc/17/88/07/1051178807.db2.gz XSJUSZGBABTKHQ-IRXDYDNUSA-N 1 3 320.908 4.437 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@H]2C[C@H]2c2cccc(Cl)c2)CC1(C)C ZINC001171623412 1051178814 /nfs/dbraw/zinc/17/88/14/1051178814.db2.gz XSJUSZGBABTKHQ-IRXDYDNUSA-N 1 3 320.908 4.437 20 0 DIADHO C[NH+]1C(C)(C)CC(N[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1(C)C ZINC001171623410 1051179895 /nfs/dbraw/zinc/17/98/95/1051179895.db2.gz XSJUSZGBABTKHQ-DLBZAZTESA-N 1 3 320.908 4.437 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@@H]2C[C@H]2c2cccc(Cl)c2)CC1(C)C ZINC001171623410 1051179900 /nfs/dbraw/zinc/17/99/00/1051179900.db2.gz XSJUSZGBABTKHQ-DLBZAZTESA-N 1 3 320.908 4.437 20 0 DIADHO CN1C(C)(C)CC([NH2+]C(C)(C)c2ccc(F)cc2)CC1(C)C ZINC001171625108 1051180413 /nfs/dbraw/zinc/18/04/13/1051180413.db2.gz CCOLNQZWWMYKOH-UHFFFAOYSA-N 1 3 306.469 4.302 20 0 DIADHO Cc1ccc(CC[C@@H](C)[NH+]2C(C)(C)CC(N)CC2(C)C)cc1 ZINC001171658852 1051185824 /nfs/dbraw/zinc/18/58/24/1051185824.db2.gz VSSZQYWHVZZQFP-MRXNPFEDSA-N 1 3 302.506 4.296 20 0 DIADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1(C)C ZINC001171639441 1051195261 /nfs/dbraw/zinc/19/52/61/1051195261.db2.gz JXIOXOFQOVYYPT-MRXNPFEDSA-N 1 3 318.480 4.266 20 0 DIADHO CN1C(C)(C)CC([N@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1(C)C ZINC001171639441 1051195266 /nfs/dbraw/zinc/19/52/66/1051195266.db2.gz JXIOXOFQOVYYPT-MRXNPFEDSA-N 1 3 318.480 4.266 20 0 DIADHO CN1C(C)(C)CC([N@@H+]2CC[C@H](c3ccccc3F)C2)CC1(C)C ZINC001171636852 1051195396 /nfs/dbraw/zinc/19/53/96/1051195396.db2.gz IGHPRDCYIIPPJO-HNNXBMFYSA-N 1 3 318.480 4.266 20 0 DIADHO CN1C(C)(C)CC([N@H+]2CC[C@H](c3ccccc3F)C2)CC1(C)C ZINC001171636852 1051195406 /nfs/dbraw/zinc/19/54/06/1051195406.db2.gz IGHPRDCYIIPPJO-HNNXBMFYSA-N 1 3 318.480 4.266 20 0 DIADHO CN1C(C)(C)CC([N@H+](C)CC/C=C/c2cccnc2)CC1(C)C ZINC001171642752 1051197646 /nfs/dbraw/zinc/19/76/46/1051197646.db2.gz MEPQXEKLVXHNGK-JXMROGBWSA-N 1 3 315.505 4.068 20 0 DIADHO CN1C(C)(C)CC([N@@H+](C)CC/C=C/c2cccnc2)CC1(C)C ZINC001171642752 1051197649 /nfs/dbraw/zinc/19/76/49/1051197649.db2.gz MEPQXEKLVXHNGK-JXMROGBWSA-N 1 3 315.505 4.068 20 0 DIADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@]1(C)Cc1ccccc1Cl ZINC001171900114 1051237184 /nfs/dbraw/zinc/23/71/84/1051237184.db2.gz HIIQSNAMORKZSY-PKOBYXMFSA-N 1 3 320.908 4.221 20 0 DIADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@]1(C)Cc1ccccc1Cl ZINC001171900114 1051237191 /nfs/dbraw/zinc/23/71/91/1051237191.db2.gz HIIQSNAMORKZSY-PKOBYXMFSA-N 1 3 320.908 4.221 20 0 DIADHO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1)c1cccnc1 ZINC001171966023 1051250193 /nfs/dbraw/zinc/25/01/93/1051250193.db2.gz SDYBQQRGWBKNDR-YLJYHZDGSA-N 1 3 323.484 4.175 20 0 DIADHO CC1(C)C[C@H](N2CC3(C2)CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC001171981369 1051266832 /nfs/dbraw/zinc/26/68/32/1051266832.db2.gz KZNGQXZSOHXZCC-LJQANCHMSA-N 1 3 312.501 4.306 20 0 DIADHO CC1(C)C[C@H](N2CC3(C2)CCCC3)CC[N@H+]1Cc1ccccc1 ZINC001171981369 1051266847 /nfs/dbraw/zinc/26/68/47/1051266847.db2.gz KZNGQXZSOHXZCC-LJQANCHMSA-N 1 3 312.501 4.306 20 0 DIADHO FC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCC1 ZINC001172064625 1051284874 /nfs/dbraw/zinc/28/48/74/1051284874.db2.gz DOUFCHFWOVCWJX-REPLKXPHSA-N 1 3 316.464 4.054 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1c1c(F)cccc1F)C2 ZINC001172130990 1051294044 /nfs/dbraw/zinc/29/40/44/1051294044.db2.gz SRPUEHICLHWENW-BASYENTBSA-N 1 3 320.427 4.117 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1c1c(F)cccc1F)C2 ZINC001172130990 1051294057 /nfs/dbraw/zinc/29/40/57/1051294057.db2.gz SRPUEHICLHWENW-BASYENTBSA-N 1 3 320.427 4.117 20 0 DIADHO CC[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)c(C)c1 ZINC001172108548 1051296734 /nfs/dbraw/zinc/29/67/34/1051296734.db2.gz BGLMSPHUFMLNIQ-BMFAXAFESA-N 1 3 304.453 4.190 20 0 DIADHO CC[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(C)c1 ZINC001172108548 1051296746 /nfs/dbraw/zinc/29/67/46/1051296746.db2.gz BGLMSPHUFMLNIQ-BMFAXAFESA-N 1 3 304.453 4.190 20 0 DIADHO Cc1cc(Cl)ccc1[C@@H](C)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113905 1051299254 /nfs/dbraw/zinc/29/92/54/1051299254.db2.gz KTIYZENOISBWBO-MXASKKJJSA-N 1 3 306.881 4.314 20 0 DIADHO Cc1cc(Cl)ccc1[C@@H](C)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113905 1051299262 /nfs/dbraw/zinc/29/92/62/1051299262.db2.gz KTIYZENOISBWBO-MXASKKJJSA-N 1 3 306.881 4.314 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCCc3c(Cl)cccc31)C2 ZINC001172110082 1051300473 /nfs/dbraw/zinc/30/04/73/1051300473.db2.gz JSSHOBOMICYOJV-NXEZDXNNSA-N 1 3 318.892 4.322 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCCc3c(Cl)cccc31)C2 ZINC001172110082 1051300480 /nfs/dbraw/zinc/30/04/80/1051300480.db2.gz JSSHOBOMICYOJV-NXEZDXNNSA-N 1 3 318.892 4.322 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1(c3cccc(Cl)c3)CCC1)C2 ZINC001172115097 1051304427 /nfs/dbraw/zinc/30/44/27/1051304427.db2.gz QRHATJUTVAUESX-NNZMDNLPSA-N 1 3 318.892 4.324 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1(c3cccc(Cl)c3)CCC1)C2 ZINC001172115097 1051304432 /nfs/dbraw/zinc/30/44/32/1051304432.db2.gz QRHATJUTVAUESX-NNZMDNLPSA-N 1 3 318.892 4.324 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1csc3ccccc13)C2 ZINC001172115856 1051305803 /nfs/dbraw/zinc/30/58/03/1051305803.db2.gz FRMMOSRFYGBQQA-PHZGNYQRSA-N 1 3 300.471 4.006 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1csc3ccccc13)C2 ZINC001172115856 1051305812 /nfs/dbraw/zinc/30/58/12/1051305812.db2.gz FRMMOSRFYGBQQA-PHZGNYQRSA-N 1 3 300.471 4.006 20 0 DIADHO C[C@@H](c1ccc(C(C)(C)C)cc1)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001170451065 1051412478 /nfs/dbraw/zinc/41/24/78/1051412478.db2.gz GYGPSIMOOSIHQT-UWJYYQICSA-N 1 3 314.517 4.463 20 0 DIADHO C[C@@H](c1ccc(C(C)(C)C)cc1)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001170451065 1051412481 /nfs/dbraw/zinc/41/24/81/1051412481.db2.gz GYGPSIMOOSIHQT-UWJYYQICSA-N 1 3 314.517 4.463 20 0 DIADHO CC(C)C[C@H](Cc1ccccc1)[NH+]1CCC(N2CCCC2)CC1 ZINC001169069571 1051507278 /nfs/dbraw/zinc/50/72/78/1051507278.db2.gz HZSBCXRUIFUDMC-OAQYLSRUSA-N 1 3 314.517 4.204 20 0 DIADHO CC(C)C[C@H](Cc1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC001169069571 1051507286 /nfs/dbraw/zinc/50/72/86/1051507286.db2.gz HZSBCXRUIFUDMC-OAQYLSRUSA-N 1 3 314.517 4.204 20 0 DIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)C2 ZINC001169100675 1051512288 /nfs/dbraw/zinc/51/22/88/1051512288.db2.gz LFEXHVNDQYHAII-XMTFNYHQSA-N 1 3 304.865 4.006 20 0 DIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)C2 ZINC001169100675 1051512297 /nfs/dbraw/zinc/51/22/97/1051512297.db2.gz LFEXHVNDQYHAII-XMTFNYHQSA-N 1 3 304.865 4.006 20 0 DIADHO CCC(CC)N1CCC([NH2+][C@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172827685 1051518334 /nfs/dbraw/zinc/51/83/34/1051518334.db2.gz DRKMMWKGYXHKLF-FQEVSTJZSA-N 1 3 314.517 4.095 20 0 DIADHO Cc1ccc2c(c1)C[C@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001172840385 1051528460 /nfs/dbraw/zinc/52/84/60/1051528460.db2.gz BPFOFFSZGSPPGU-GOSISDBHSA-N 1 3 314.517 4.093 20 0 DIADHO CC[NH+](CC)CCCC1CCN(Cc2c(C)nsc2C)CC1 ZINC001169198450 1051545042 /nfs/dbraw/zinc/54/50/42/1051545042.db2.gz XVFPAQLSIGBTSO-UHFFFAOYSA-N 1 3 323.550 4.094 20 0 DIADHO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccsc1 ZINC000178234331 1051564923 /nfs/dbraw/zinc/56/49/23/1051564923.db2.gz NULAEJDPPSRDSH-CABCVRRESA-N 1 3 320.527 4.372 20 0 DIADHO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccsc1 ZINC000178234331 1051564936 /nfs/dbraw/zinc/56/49/36/1051564936.db2.gz NULAEJDPPSRDSH-CABCVRRESA-N 1 3 320.527 4.372 20 0 DIADHO CC[C@H](N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccs1 ZINC000183186901 1051709421 /nfs/dbraw/zinc/70/94/21/1051709421.db2.gz BOGHLGJOASQFFH-INMHGKMJSA-N 1 3 306.519 4.442 20 0 DIADHO CC[C@H](N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccs1 ZINC000183186901 1051709437 /nfs/dbraw/zinc/70/94/37/1051709437.db2.gz BOGHLGJOASQFFH-INMHGKMJSA-N 1 3 306.519 4.442 20 0 DIADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)c1cccs1 ZINC000183186901 1051709454 /nfs/dbraw/zinc/70/94/54/1051709454.db2.gz BOGHLGJOASQFFH-INMHGKMJSA-N 1 3 306.519 4.442 20 0 DIADHO Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183198996 1051709810 /nfs/dbraw/zinc/70/98/10/1051709810.db2.gz UDQGIPUKWJDVFG-JENIJYKNSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183198996 1051709821 /nfs/dbraw/zinc/70/98/21/1051709821.db2.gz UDQGIPUKWJDVFG-JENIJYKNSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1cc(CN2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Cl)cc1Cl ZINC001206023594 1051716362 /nfs/dbraw/zinc/71/63/62/1051716362.db2.gz FXSNOVFMDBXDSR-QWHCGFSZSA-N 1 3 315.288 4.109 20 0 DIADHO FC(F)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000183979129 1051724295 /nfs/dbraw/zinc/72/42/95/1051724295.db2.gz HGVLKBQTJFVDLT-SJLPKXTDSA-N 1 3 320.427 4.073 20 0 DIADHO FC(F)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000183979129 1051724303 /nfs/dbraw/zinc/72/43/03/1051724303.db2.gz HGVLKBQTJFVDLT-SJLPKXTDSA-N 1 3 320.427 4.073 20 0 DIADHO CN(C)Cc1ccccc1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001173929697 1051902594 /nfs/dbraw/zinc/90/25/94/1051902594.db2.gz LGCWEXXYLRJYPL-UHFFFAOYSA-N 1 3 309.457 4.088 20 0 DIADHO CC1(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCCC1 ZINC000310032186 1052253953 /nfs/dbraw/zinc/25/39/53/1052253953.db2.gz YFGRKMDMZQKGPN-HXUWFJFHSA-N 1 3 314.517 4.459 20 0 DIADHO CCCCOc1ccc(C[NH2+]C2CCN(CCCC)CC2)cc1 ZINC000236683420 1052428847 /nfs/dbraw/zinc/42/88/47/1052428847.db2.gz LKAQBLXFPYXKJO-UHFFFAOYSA-N 1 3 318.505 4.220 20 0 DIADHO CCCCN1CCC([NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000236760012 1052430232 /nfs/dbraw/zinc/43/02/32/1052430232.db2.gz CGRHIVULNSMQGM-UHFFFAOYSA-N 1 3 314.395 4.060 20 0 DIADHO CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CC[C@]3(C2)CCCNC3)cc1 ZINC001222141089 1052449528 /nfs/dbraw/zinc/44/95/28/1052449528.db2.gz DPGIIWDYFCBUIJ-WIYYLYMNSA-N 1 3 314.517 4.064 20 0 DIADHO CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@]3(C2)CCCNC3)cc1 ZINC001222141089 1052449530 /nfs/dbraw/zinc/44/95/30/1052449530.db2.gz DPGIIWDYFCBUIJ-WIYYLYMNSA-N 1 3 314.517 4.064 20 0 DIADHO Cc1ccc(CN2CCC[C@@]3(CCC[NH2+]C3)C2)c2ccccc12 ZINC001222265758 1052470817 /nfs/dbraw/zinc/47/08/17/1052470817.db2.gz XKSUSBCKCHBMCL-OAQYLSRUSA-N 1 3 308.469 4.114 20 0 DIADHO CC(C)=CCCC1=CC[C@@H](C[N@@H+]2CC[C@H]3CNCC[C@H]32)CC1 ZINC001222614369 1052518305 /nfs/dbraw/zinc/51/83/05/1052518305.db2.gz DLNWDQNBXMWYOW-HSALFYBXSA-N 1 3 302.506 4.143 20 0 DIADHO CC(C)=CCCC1=CC[C@@H](C[N@H+]2CC[C@H]3CNCC[C@H]32)CC1 ZINC001222614369 1052518312 /nfs/dbraw/zinc/51/83/12/1052518312.db2.gz DLNWDQNBXMWYOW-HSALFYBXSA-N 1 3 302.506 4.143 20 0 DIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC/C=C\c1ccccc1 ZINC000398007159 1052561814 /nfs/dbraw/zinc/56/18/14/1052561814.db2.gz ZSOFFMWZFURAKI-GRTKDXNDSA-N 1 3 320.480 4.200 20 0 DIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC/C=C\c1ccccc1 ZINC000398007159 1052561822 /nfs/dbraw/zinc/56/18/22/1052561822.db2.gz ZSOFFMWZFURAKI-GRTKDXNDSA-N 1 3 320.480 4.200 20 0 DIADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(Cl)c(Cl)c1 ZINC000037644466 1052628001 /nfs/dbraw/zinc/62/80/01/1052628001.db2.gz ZBAXFELYDGROSV-MLGOLLRUSA-N 1 3 315.288 4.376 20 0 DIADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(Cl)c(Cl)c1 ZINC000037644463 1052627730 /nfs/dbraw/zinc/62/77/30/1052627730.db2.gz ZBAXFELYDGROSV-LRDDRELGSA-N 1 3 315.288 4.376 20 0 DIADHO CCC[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000037649061 1052628203 /nfs/dbraw/zinc/62/82/03/1052628203.db2.gz XKWFXHLZDUYONE-KSSFIOAISA-N 1 3 306.881 4.255 20 0 DIADHO CCC[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000037649061 1052628208 /nfs/dbraw/zinc/62/82/08/1052628208.db2.gz XKWFXHLZDUYONE-KSSFIOAISA-N 1 3 306.881 4.255 20 0 DIADHO C[C@H](CN1CCC2(CCC[NH2+]2)CC1)c1cccc2ccccc21 ZINC001226784067 1052931179 /nfs/dbraw/zinc/93/11/79/1052931179.db2.gz JQXHKVSRFMXFND-QGZVFWFLSA-N 1 3 308.469 4.161 20 0 DIADHO Fc1c(Cl)cccc1CNCCCCC[NH+]1CCCCC1 ZINC001560313673 1053141988 /nfs/dbraw/zinc/14/19/88/1053141988.db2.gz MJBRLANTUONTRL-UHFFFAOYSA-N 1 3 312.860 4.225 20 0 DIADHO CC[C@H]([NH2+]C[C@@H]1CCCN(CC)C1)c1cc(Cl)ccc1OC ZINC001319187326 1053224380 /nfs/dbraw/zinc/22/43/80/1053224380.db2.gz MEVDWFYHSSNVIT-YOEHRIQHSA-N 1 3 324.896 4.121 20 0 DIADHO CCN1CCC[C@H](C[NH2+][C@H]2CCSc3c(Cl)cccc32)C1 ZINC001319281841 1053232071 /nfs/dbraw/zinc/23/20/71/1053232071.db2.gz DDQMHIXDXRLPCD-CJNGLKHVSA-N 1 3 324.921 4.198 20 0 DIADHO CCN1CCC[C@H](C[NH2+][C@@H]2CCSc3c(Cl)cccc32)C1 ZINC001319281842 1053232721 /nfs/dbraw/zinc/23/27/21/1053232721.db2.gz DDQMHIXDXRLPCD-CZUORRHYSA-N 1 3 324.921 4.198 20 0 DIADHO CC[NH+](CC)CC1CCN(c2c(C)cnc3ccccc32)CC1 ZINC001319654665 1053260740 /nfs/dbraw/zinc/26/07/40/1053260740.db2.gz JHOBEKPGOUOCHB-UHFFFAOYSA-N 1 3 311.473 4.101 20 0 DIADHO Fc1cccc2c1CCC[C@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000449352429 1053272909 /nfs/dbraw/zinc/27/29/09/1053272909.db2.gz UYFIFRHPWKQDGX-HXUWFJFHSA-N 1 3 316.464 4.200 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc2c(c1)CCC2 ZINC001323203593 1053569350 /nfs/dbraw/zinc/56/93/50/1053569350.db2.gz CKFXOEVVGMPDHN-UHFFFAOYSA-N 1 3 322.496 4.307 20 0 DIADHO CCN(C[C@@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000262535919 1053577522 /nfs/dbraw/zinc/57/75/22/1053577522.db2.gz QHVHGAUJFNASPZ-UONOGXRCSA-N 1 3 314.395 4.088 20 0 DIADHO CC[NH+]1CCC(NCc2ccc(N(C)c3ccccc3)cc2)CC1 ZINC000620436241 1053664065 /nfs/dbraw/zinc/66/40/65/1053664065.db2.gz MNIISIFENAFCIU-UHFFFAOYSA-N 1 3 323.484 4.028 20 0 DIADHO CC[N@H+](Cc1cc2cnccc2[nH]1)[C@H](C)Cc1ccc(OC)cc1 ZINC001232011425 1053940372 /nfs/dbraw/zinc/94/03/72/1053940372.db2.gz KFAWZEUMUVRYNK-OAHLLOKOSA-N 1 3 323.440 4.025 20 0 DIADHO CC[N@@H+](Cc1cc2cnccc2[nH]1)[C@H](C)Cc1ccc(OC)cc1 ZINC001232011425 1053940388 /nfs/dbraw/zinc/94/03/88/1053940388.db2.gz KFAWZEUMUVRYNK-OAHLLOKOSA-N 1 3 323.440 4.025 20 0 DIADHO CC[N@H+](Cc1ccc(C)cc1)Cc1cc(F)cc(CN(C)C)c1 ZINC001232150546 1053972341 /nfs/dbraw/zinc/97/23/41/1053972341.db2.gz YSOYQCJOEKFZQN-UHFFFAOYSA-N 1 3 314.448 4.218 20 0 DIADHO CC[N@@H+](Cc1ccc(C)cc1)Cc1cc(F)cc(CN(C)C)c1 ZINC001232150546 1053972353 /nfs/dbraw/zinc/97/23/53/1053972353.db2.gz YSOYQCJOEKFZQN-UHFFFAOYSA-N 1 3 314.448 4.218 20 0 DIADHO CC[NH+](CC)Cc1ccc(CNCc2ccc3cc[nH]c3c2)cc1 ZINC000326296634 1054090141 /nfs/dbraw/zinc/09/01/41/1054090141.db2.gz PEEOVUPDIRADPE-UHFFFAOYSA-N 1 3 321.468 4.300 20 0 DIADHO C[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)Cc1cccs1 ZINC000167443386 1054103548 /nfs/dbraw/zinc/10/35/48/1054103548.db2.gz MYASJJJADNBYCV-MRXNPFEDSA-N 1 3 320.546 4.313 20 0 DIADHO c1ccc(-c2ccccc2CN2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235047253 1054646576 /nfs/dbraw/zinc/64/65/76/1054646576.db2.gz UKVZLTAEZXOQLV-JOCHJYFZSA-N 1 3 320.480 4.462 20 0 DIADHO CC(C)c1ccc(C[C@H](C)C[N@@H+]2CCCC23CCNCC3)cc1 ZINC001235141789 1054665304 /nfs/dbraw/zinc/66/53/04/1054665304.db2.gz YXBAXMJHTUPGJD-SFHVURJKSA-N 1 3 314.517 4.207 20 0 DIADHO CC(C)c1ccc(C[C@H](C)C[N@H+]2CCCC23CCNCC3)cc1 ZINC001235141789 1054665307 /nfs/dbraw/zinc/66/53/07/1054665307.db2.gz YXBAXMJHTUPGJD-SFHVURJKSA-N 1 3 314.517 4.207 20 0 DIADHO Cc1cc(Cl)ccc1CN1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235229241 1054687419 /nfs/dbraw/zinc/68/74/19/1054687419.db2.gz PSXNTWYIOHVYNG-GOSISDBHSA-N 1 3 306.881 4.003 20 0 DIADHO CN(Cc1ccc(C[NH3+])cc1)Cc1ccc(Cl)c(Cl)c1 ZINC001235442789 1054723695 /nfs/dbraw/zinc/72/36/95/1054723695.db2.gz ZVAZFYGCSPGOCS-UHFFFAOYSA-N 1 3 309.240 4.084 20 0 DIADHO [NH3+]C[C@@H]1CCCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC001235674465 1054772368 /nfs/dbraw/zinc/77/23/68/1054772368.db2.gz GHKRHFJMLLCBGP-INIZCTEOSA-N 1 3 314.860 4.178 20 0 DIADHO CC(C)=CCCC1=CC[C@H](C[N@@H+]2CCCC3(CNC3)C2)CC1 ZINC001235710808 1054786445 /nfs/dbraw/zinc/78/64/45/1054786445.db2.gz GCMKHFHGEXRVLF-IBGZPJMESA-N 1 3 302.506 4.145 20 0 DIADHO CC(C)=CCCC1=CC[C@H](C[N@H+]2CCCC3(CNC3)C2)CC1 ZINC001235710808 1054786461 /nfs/dbraw/zinc/78/64/61/1054786461.db2.gz GCMKHFHGEXRVLF-IBGZPJMESA-N 1 3 302.506 4.145 20 0 DIADHO CC1([NH3+])CCN(Cc2cccc3c4ccccc4sc32)CC1 ZINC001235747509 1054798726 /nfs/dbraw/zinc/79/87/26/1054798726.db2.gz AFIZWBAUAXNSRY-UHFFFAOYSA-N 1 3 310.466 4.368 20 0 DIADHO CC[N@H+](Cc1cccc2c3ccccc3oc21)C1CCNCC1 ZINC001235762943 1054802182 /nfs/dbraw/zinc/80/21/82/1054802182.db2.gz WVARRABUPOBEDD-UHFFFAOYSA-N 1 3 308.425 4.160 20 0 DIADHO CC[N@@H+](Cc1cccc2c3ccccc3oc21)C1CCNCC1 ZINC001235762943 1054802198 /nfs/dbraw/zinc/80/21/98/1054802198.db2.gz WVARRABUPOBEDD-UHFFFAOYSA-N 1 3 308.425 4.160 20 0 DIADHO CCN(Cc1cccc2c3ccccc3oc21)C1CC[NH2+]CC1 ZINC001235762943 1054802209 /nfs/dbraw/zinc/80/22/09/1054802209.db2.gz WVARRABUPOBEDD-UHFFFAOYSA-N 1 3 308.425 4.160 20 0 DIADHO CC1(C)CCC(c2ccc(CN3CC4(CC([NH3+])C4)C3)cc2)CC1 ZINC001235820357 1054811304 /nfs/dbraw/zinc/81/13/04/1054811304.db2.gz MXNLCRUCZIGFHS-UHFFFAOYSA-N 1 3 312.501 4.294 20 0 DIADHO Cc1csc([C@H](C)NC2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000623923454 1054826335 /nfs/dbraw/zinc/82/63/35/1054826335.db2.gz BFLNPVKKEHMDHZ-GTPINHCMSA-N 1 3 321.534 4.145 20 0 DIADHO [NH3+]CCCCCCN1CC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC001235884948 1054831625 /nfs/dbraw/zinc/83/16/25/1054831625.db2.gz NIYHIVGIQYQIPA-CYBMUJFWSA-N 1 3 315.288 4.302 20 0 DIADHO CC(C)(C)c1cc(CN2CC(CC[NH3+])C2)cc(C(C)(C)C)c1 ZINC001235918613 1054847274 /nfs/dbraw/zinc/84/72/74/1054847274.db2.gz GUCXHFORPCHCHG-UHFFFAOYSA-N 1 3 302.506 4.062 20 0 DIADHO Cc1ccccc1-c1ccccc1CN(C)C[C@H]1CCC[NH2+]C1 ZINC001235956302 1054869054 /nfs/dbraw/zinc/86/90/54/1054869054.db2.gz CCYBHYKLNMOPBC-SFHVURJKSA-N 1 3 308.469 4.093 20 0 DIADHO CN1CCCC[C@H](C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000624122488 1054883339 /nfs/dbraw/zinc/88/33/39/1054883339.db2.gz SGMUULPPBNPZMO-OXQOHEQNSA-N 1 3 316.464 4.083 20 0 DIADHO C[C@@H]([NH3+])c1ccccc1-c1cccc(CN2CCCCC2)c1F ZINC001236021736 1054900007 /nfs/dbraw/zinc/90/00/07/1054900007.db2.gz UICRPISTNCCKPZ-OAHLLOKOSA-N 1 3 312.432 4.498 20 0 DIADHO [NH3+][C@H]1CCc2c1cccc2-c1cccc(CN2CCCCC2)c1F ZINC001236016095 1054900274 /nfs/dbraw/zinc/90/02/74/1054900274.db2.gz TXKRJWWYTDDILN-FQEVSTJZSA-N 1 3 324.443 4.425 20 0 DIADHO C[C@@H]([NH2+]C[C@@H](C)Cc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000182078570 1054958885 /nfs/dbraw/zinc/95/88/85/1054958885.db2.gz SOAFFUZRXIYMSS-NLWGTHIKSA-N 1 3 314.517 4.108 20 0 DIADHO CCCN(Cc1cc(C)cnc1-c1ccccc1)C1CC[NH2+]CC1 ZINC001236185143 1054984892 /nfs/dbraw/zinc/98/48/92/1054984892.db2.gz XPDTUAATLVEPPB-UHFFFAOYSA-N 1 3 323.484 4.021 20 0 DIADHO CCC[N@H+](Cc1cc(C)cnc1-c1ccccc1)C1CCNCC1 ZINC001236185143 1054984904 /nfs/dbraw/zinc/98/49/04/1054984904.db2.gz XPDTUAATLVEPPB-UHFFFAOYSA-N 1 3 323.484 4.021 20 0 DIADHO CCC[N@@H+](Cc1cc(C)cnc1-c1ccccc1)C1CCNCC1 ZINC001236185143 1054984912 /nfs/dbraw/zinc/98/49/12/1054984912.db2.gz XPDTUAATLVEPPB-UHFFFAOYSA-N 1 3 323.484 4.021 20 0 DIADHO CCC[N@H+](Cc1c(C)cc(OC(C)C)cc1C)C1CCNCC1 ZINC001236185133 1054985843 /nfs/dbraw/zinc/98/58/43/1054985843.db2.gz XEHYPTHZVCNLNI-UHFFFAOYSA-N 1 3 318.505 4.055 20 0 DIADHO CCC[N@@H+](Cc1c(C)cc(OC(C)C)cc1C)C1CCNCC1 ZINC001236185133 1054985858 /nfs/dbraw/zinc/98/58/58/1054985858.db2.gz XEHYPTHZVCNLNI-UHFFFAOYSA-N 1 3 318.505 4.055 20 0 DIADHO CCCN(Cc1c(C)cc(OC(C)C)cc1C)C1CC[NH2+]CC1 ZINC001236185133 1054985872 /nfs/dbraw/zinc/98/58/72/1054985872.db2.gz XEHYPTHZVCNLNI-UHFFFAOYSA-N 1 3 318.505 4.055 20 0 DIADHO COc1ccc(-c2ccccc2)c(C[N@H+](C)[C@@H]2CCCC[C@@H]2N)c1 ZINC001236215400 1055006004 /nfs/dbraw/zinc/00/60/04/1055006004.db2.gz HVBJAPFINJRSPR-LEWJYISDSA-N 1 3 324.468 4.064 20 0 DIADHO COc1ccc(-c2ccccc2)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2N)c1 ZINC001236215400 1055006018 /nfs/dbraw/zinc/00/60/18/1055006018.db2.gz HVBJAPFINJRSPR-LEWJYISDSA-N 1 3 324.468 4.064 20 0 DIADHO Cc1c(C[N@@H+](C)[C@@H]2CCCC[C@H]2N)cccc1-c1ccccc1 ZINC001236219385 1055009099 /nfs/dbraw/zinc/00/90/99/1055009099.db2.gz VOEHMPRZTZGJKZ-NHCUHLMSSA-N 1 3 308.469 4.364 20 0 DIADHO Cc1c(C[N@H+](C)[C@@H]2CCCC[C@H]2N)cccc1-c1ccccc1 ZINC001236219385 1055009115 /nfs/dbraw/zinc/00/91/15/1055009115.db2.gz VOEHMPRZTZGJKZ-NHCUHLMSSA-N 1 3 308.469 4.364 20 0 DIADHO Cc1c(C[N@@H+](C)[C@H]2CCCC[C@H]2N)cccc1-c1ccccc1 ZINC001236219387 1055010271 /nfs/dbraw/zinc/01/02/71/1055010271.db2.gz VOEHMPRZTZGJKZ-RTWAWAEBSA-N 1 3 308.469 4.364 20 0 DIADHO Cc1c(C[N@H+](C)[C@H]2CCCC[C@H]2N)cccc1-c1ccccc1 ZINC001236219387 1055010287 /nfs/dbraw/zinc/01/02/87/1055010287.db2.gz VOEHMPRZTZGJKZ-RTWAWAEBSA-N 1 3 308.469 4.364 20 0 DIADHO C[N@H+](Cc1cccc2c3ccccc3oc21)[C@@H]1CCCC[C@@H]1N ZINC001236218774 1055010470 /nfs/dbraw/zinc/01/04/70/1055010470.db2.gz UBMUKUBMDRLYAO-ZWKOTPCHSA-N 1 3 308.425 4.288 20 0 DIADHO C[N@@H+](Cc1cccc2c3ccccc3oc21)[C@@H]1CCCC[C@@H]1N ZINC001236218774 1055010483 /nfs/dbraw/zinc/01/04/83/1055010483.db2.gz UBMUKUBMDRLYAO-ZWKOTPCHSA-N 1 3 308.425 4.288 20 0 DIADHO Cn1c2ccccc2c2cc(C[N@H+](C)[C@@H]3CCCC[C@@H]3N)ccc21 ZINC001236219199 1055010885 /nfs/dbraw/zinc/01/08/85/1055010885.db2.gz VQCGSDUNJHUGOA-GHTZIAJQSA-N 1 3 321.468 4.033 20 0 DIADHO Cn1c2ccccc2c2cc(C[N@@H+](C)[C@@H]3CCCC[C@@H]3N)ccc21 ZINC001236219199 1055010900 /nfs/dbraw/zinc/01/09/00/1055010900.db2.gz VQCGSDUNJHUGOA-GHTZIAJQSA-N 1 3 321.468 4.033 20 0 DIADHO CC[NH+](CC)Cc1ccc(F)c(-c2ccc3c(N)ccnc3c2)c1 ZINC001236328307 1055058855 /nfs/dbraw/zinc/05/88/55/1055058855.db2.gz OYICJLVYYFOFCV-UHFFFAOYSA-N 1 3 323.415 4.465 20 0 DIADHO Cc1cccc(C)c1C[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236374091 1055080458 /nfs/dbraw/zinc/08/04/58/1055080458.db2.gz OYGWJNFUADJXOF-SFHVURJKSA-N 1 3 300.490 4.048 20 0 DIADHO Cc1cccc(C)c1C[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236374091 1055080468 /nfs/dbraw/zinc/08/04/68/1055080468.db2.gz OYGWJNFUADJXOF-SFHVURJKSA-N 1 3 300.490 4.048 20 0 DIADHO Cc1cc(C)cc(C[N@H+](C[C@@H]2CCCNC2)C2CCCC2)c1 ZINC001236374121 1055080628 /nfs/dbraw/zinc/08/06/28/1055080628.db2.gz PDZNHOLGPMLFCU-GOSISDBHSA-N 1 3 300.490 4.048 20 0 DIADHO Cc1cc(C)cc(C[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)c1 ZINC001236374121 1055080639 /nfs/dbraw/zinc/08/06/39/1055080639.db2.gz PDZNHOLGPMLFCU-GOSISDBHSA-N 1 3 300.490 4.048 20 0 DIADHO Fc1cc(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)ccc1Cl ZINC001236375052 1055082516 /nfs/dbraw/zinc/08/25/16/1055082516.db2.gz UVNYSCCKIPXPRO-HNNXBMFYSA-N 1 3 324.871 4.223 20 0 DIADHO C[C@H](NCCSc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185681805 1055096005 /nfs/dbraw/zinc/09/60/05/1055096005.db2.gz SNQRUZMWXUMVIR-IRXDYDNUSA-N 1 3 318.530 4.021 20 0 DIADHO C[C@H](NCCSc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185681805 1055096014 /nfs/dbraw/zinc/09/60/14/1055096014.db2.gz SNQRUZMWXUMVIR-IRXDYDNUSA-N 1 3 318.530 4.021 20 0 DIADHO CCN(Cc1cccc(-c2c(C)cccc2C)c1)C[C@H]1CC[NH2+]C1 ZINC001236409491 1055100457 /nfs/dbraw/zinc/10/04/57/1055100457.db2.gz BDXUULRLODFLRT-FQEVSTJZSA-N 1 3 322.496 4.402 20 0 DIADHO CCN(Cc1cccc(-c2ccccc2)c1C)C[C@@H]1CC[NH2+]C1 ZINC001236412786 1055103711 /nfs/dbraw/zinc/10/37/11/1055103711.db2.gz YKAVPKFRQSJIAZ-GOSISDBHSA-N 1 3 308.469 4.093 20 0 DIADHO C[C@H]1[C@@H](N)CCC[N@@H+]1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001236419171 1055104884 /nfs/dbraw/zinc/10/48/84/1055104884.db2.gz HBXFWYBPMLLPMA-KXBFYZLASA-N 1 3 319.452 4.147 20 0 DIADHO C[C@H]1[C@@H](N)CCC[N@H+]1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001236419171 1055104891 /nfs/dbraw/zinc/10/48/91/1055104891.db2.gz HBXFWYBPMLLPMA-KXBFYZLASA-N 1 3 319.452 4.147 20 0 DIADHO Cc1c2ccccc2[nH]c1C[N@H+](CC(C)(C)C)C1CCNCC1 ZINC001236457479 1055124976 /nfs/dbraw/zinc/12/49/76/1055124976.db2.gz LPHOPSCUSHQKDW-UHFFFAOYSA-N 1 3 313.489 4.076 20 0 DIADHO Cc1c2ccccc2[nH]c1C[N@@H+](CC(C)(C)C)C1CCNCC1 ZINC001236457479 1055124980 /nfs/dbraw/zinc/12/49/80/1055124980.db2.gz LPHOPSCUSHQKDW-UHFFFAOYSA-N 1 3 313.489 4.076 20 0 DIADHO Cc1cc(Cl)cc(C[N@H+](CC(C)(C)C)C2CCNCC2)c1 ZINC001236459429 1055127457 /nfs/dbraw/zinc/12/74/57/1055127457.db2.gz OAFGBDJRFQYHIK-UHFFFAOYSA-N 1 3 308.897 4.249 20 0 DIADHO CC(C)(C)C[N@H+](Cc1ccc(F)c2ccoc21)C1CCNCC1 ZINC001236459561 1055127407 /nfs/dbraw/zinc/12/74/07/1055127407.db2.gz VABRDYIDMZKDOQ-UHFFFAOYSA-N 1 3 318.436 4.172 20 0 DIADHO CC(C)(C)C[N@@H+](Cc1ccc(F)c2ccoc21)C1CCNCC1 ZINC001236459561 1055127411 /nfs/dbraw/zinc/12/74/11/1055127411.db2.gz VABRDYIDMZKDOQ-UHFFFAOYSA-N 1 3 318.436 4.172 20 0 DIADHO Cc1cc(Cl)cc(C[N@@H+](CC(C)(C)C)C2CCNCC2)c1 ZINC001236459429 1055127462 /nfs/dbraw/zinc/12/74/62/1055127462.db2.gz OAFGBDJRFQYHIK-UHFFFAOYSA-N 1 3 308.897 4.249 20 0 DIADHO Cc1cc(Cl)cc(CN(CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236459429 1055127466 /nfs/dbraw/zinc/12/74/66/1055127466.db2.gz OAFGBDJRFQYHIK-UHFFFAOYSA-N 1 3 308.897 4.249 20 0 DIADHO COC(C)(C)CCC[C@H](C)CC[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC001236584626 1055198409 /nfs/dbraw/zinc/19/84/09/1055198409.db2.gz MKQYESREGYYSLT-ROUUACIJSA-N 1 3 324.553 4.072 20 0 DIADHO COC(C)(C)CCC[C@H](C)CC[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC001236584626 1055198420 /nfs/dbraw/zinc/19/84/20/1055198420.db2.gz MKQYESREGYYSLT-ROUUACIJSA-N 1 3 324.553 4.072 20 0 DIADHO CCCC[NH+]1CCC(N(C)Cc2cccc3ccoc32)CC1 ZINC001236743182 1055247205 /nfs/dbraw/zinc/24/72/05/1055247205.db2.gz PHXRUKAHNFTOOA-UHFFFAOYSA-N 1 3 300.446 4.129 20 0 DIADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc4sc5ccccc5c4c3)C[C@@H]12 ZINC001236827864 1055278910 /nfs/dbraw/zinc/27/89/10/1055278910.db2.gz HCXKJVSXXSUTDG-BMGDILEWSA-N 1 3 322.477 4.224 20 0 DIADHO CCCCCCc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)s1 ZINC001236828986 1055281592 /nfs/dbraw/zinc/28/15/92/1055281592.db2.gz JTWNWSUQFPLHLA-JCGIZDLHSA-N 1 3 306.519 4.040 20 0 DIADHO CCCN(Cc1ccc2oc3ccccc3c2c1)C[C@@H]1CC[NH2+]C1 ZINC001236836489 1055284456 /nfs/dbraw/zinc/28/44/56/1055284456.db2.gz WHONKIOZXXHAJM-QGZVFWFLSA-N 1 3 322.452 4.408 20 0 DIADHO CCCN(Cc1ccc(-c2ccccc2)s1)C[C@@H]1CC[NH2+]C1 ZINC001236833441 1055285149 /nfs/dbraw/zinc/28/51/49/1055285149.db2.gz BHUPLIOZUDJHNE-MRXNPFEDSA-N 1 3 314.498 4.237 20 0 DIADHO CCCN(Cc1ccc2c(c1)Cc1ccccc1-2)C[C@H]1CC[NH2+]C1 ZINC001236835961 1055285943 /nfs/dbraw/zinc/28/59/43/1055285943.db2.gz RHNGRWJEHXREBC-SFHVURJKSA-N 1 3 320.480 4.079 20 0 DIADHO CCCN(Cc1ccc(Oc2ccccc2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236836883 1055287316 /nfs/dbraw/zinc/28/73/16/1055287316.db2.gz YXRYWWCHAQDJDI-LJQANCHMSA-N 1 3 324.468 4.300 20 0 DIADHO CCCN(Cc1ccc(Cl)c(C(C)C)c1)C[C@H]1CC[NH2+]C1 ZINC001236842373 1055288188 /nfs/dbraw/zinc/28/81/88/1055288188.db2.gz FLISSHLHCNAVMC-INIZCTEOSA-N 1 3 308.897 4.285 20 0 DIADHO C[C@]1(C[NH3+])CCCN(Cc2ccc(C3CCCCC3)cc2)C1 ZINC001237080156 1055364650 /nfs/dbraw/zinc/36/46/50/1055364650.db2.gz DETDTSHZPZCESR-HXUWFJFHSA-N 1 3 300.490 4.295 20 0 DIADHO c1ccc2c(c1)CC[NH2+]C21CCN(CCCC2CCCC2)CC1 ZINC001237277306 1055415331 /nfs/dbraw/zinc/41/53/31/1055415331.db2.gz ZATALBXHWBUYDG-UHFFFAOYSA-N 1 3 312.501 4.094 20 0 DIADHO C[C@H](CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1)c1cccc2ccccc21 ZINC001237380723 1055444328 /nfs/dbraw/zinc/44/43/28/1055444328.db2.gz HCVANNYESFRZEB-BLIXFSHQSA-N 1 3 308.469 4.017 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2cccc(Cl)c2C)CC1 ZINC001237731762 1055515937 /nfs/dbraw/zinc/51/59/37/1055515937.db2.gz FSZDSVONDBOUQD-UHFFFAOYSA-N 1 3 308.897 4.345 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2cccc(Cl)c2C)CC1 ZINC001237731762 1055515944 /nfs/dbraw/zinc/51/59/44/1055515944.db2.gz FSZDSVONDBOUQD-UHFFFAOYSA-N 1 3 308.897 4.345 20 0 DIADHO CC(C)c1ccc2c(c1)[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)CC2 ZINC001620910382 1055532783 /nfs/dbraw/zinc/53/27/83/1055532783.db2.gz PUKBMODOEPKXGT-PKOBYXMFSA-N 1 3 300.490 4.260 20 0 DIADHO CC(C)c1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)CC2 ZINC001620910382 1055532796 /nfs/dbraw/zinc/53/27/96/1055532796.db2.gz PUKBMODOEPKXGT-PKOBYXMFSA-N 1 3 300.490 4.260 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@@H+]3CCC[C@](C)(F)CC3)cc21 ZINC001237880705 1055547672 /nfs/dbraw/zinc/54/76/72/1055547672.db2.gz JDWZUZQDVXAKMM-FQEVSTJZSA-N 1 3 316.464 4.402 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@H+]3CCC[C@](C)(F)CC3)cc21 ZINC001237880705 1055547683 /nfs/dbraw/zinc/54/76/83/1055547683.db2.gz JDWZUZQDVXAKMM-FQEVSTJZSA-N 1 3 316.464 4.402 20 0 DIADHO CC(C)C1=NCCc2ccc(C[NH+]3C[C@H]4CCCC[C@@H]4C3)cc21 ZINC001237881856 1055549554 /nfs/dbraw/zinc/54/95/54/1055549554.db2.gz WWXVNUIKLYCNPO-RTBURBONSA-N 1 3 310.485 4.310 20 0 DIADHO FC(F)(F)c1ccc(C2=CCC[NH2+]CC2)c(CN2CCCC2)c1 ZINC001238948685 1055798364 /nfs/dbraw/zinc/79/83/64/1055798364.db2.gz BMSIVDOECOEHND-UHFFFAOYSA-N 1 3 324.390 4.068 20 0 DIADHO C[N@@H+]1CCC[C@@H]1CCN[C@H](CCc1ccccc1)c1ccccc1 ZINC001168605020 1056055464 /nfs/dbraw/zinc/05/54/64/1056055464.db2.gz VDYSAIFLBPJPOA-FGZHOGPDSA-N 1 3 322.496 4.434 20 0 DIADHO C[N@H+]1CCC[C@@H]1CCN[C@H](CCc1ccccc1)c1ccccc1 ZINC001168605020 1056055471 /nfs/dbraw/zinc/05/54/71/1056055471.db2.gz VDYSAIFLBPJPOA-FGZHOGPDSA-N 1 3 322.496 4.434 20 0 DIADHO CN1CCC[C@@H]1CC[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC001168605020 1056055484 /nfs/dbraw/zinc/05/54/84/1056055484.db2.gz VDYSAIFLBPJPOA-FGZHOGPDSA-N 1 3 322.496 4.434 20 0 DIADHO CC1([NH+]2CCCC2)CCC(NCc2cccc(Cl)c2F)CC1 ZINC001621073294 1056060973 /nfs/dbraw/zinc/06/09/73/1056060973.db2.gz WWNWBDGFKPIMEW-UHFFFAOYSA-N 1 3 324.871 4.366 20 0 DIADHO CCC(CC)(CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(F)(F)F ZINC000903211196 1056200279 /nfs/dbraw/zinc/20/02/79/1056200279.db2.gz DWSCYTTUDJRMMX-LQDVMPOASA-N 1 3 318.427 4.103 20 0 DIADHO CCC(CC)(CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(F)(F)F ZINC000903211196 1056200297 /nfs/dbraw/zinc/20/02/97/1056200297.db2.gz DWSCYTTUDJRMMX-LQDVMPOASA-N 1 3 318.427 4.103 20 0 DIADHO [NH3+]CCCCCCNCc1csc(-c2ccc(Cl)cc2)n1 ZINC000843127840 1056289842 /nfs/dbraw/zinc/28/98/42/1056289842.db2.gz JCLLOKOQIOBDDH-UHFFFAOYSA-N 1 3 323.893 4.072 20 0 DIADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)C1CCC(C(F)(F)F)CC1 ZINC000474814178 1056358454 /nfs/dbraw/zinc/35/84/54/1056358454.db2.gz BOLAARKYGKYATL-NXSPZCGBSA-N 1 3 320.443 4.206 20 0 DIADHO CC(C)(C)[NH2+]Cc1ccc(-c2ccc3c(N)ccnc3c2)cc1 ZINC001240376355 1056460487 /nfs/dbraw/zinc/46/04/87/1056460487.db2.gz NPVVLZHHPYFMPK-UHFFFAOYSA-N 1 3 305.425 4.372 20 0 DIADHO Clc1cccc(CCCCN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC001615596306 1056543018 /nfs/dbraw/zinc/54/30/18/1056543018.db2.gz YAZDKAIAWVQGAY-SFHVURJKSA-N 1 3 320.908 4.080 20 0 DIADHO CN(C[C@H]1CCC[N@H+](C)C1)C1c2ccccc2-c2ccccc21 ZINC001615634865 1056549900 /nfs/dbraw/zinc/54/99/00/1056549900.db2.gz KEFNPXIKWADEQY-INIZCTEOSA-N 1 3 306.453 4.030 20 0 DIADHO CN(C[C@H]1CCC[N@@H+](C)C1)C1c2ccccc2-c2ccccc21 ZINC001615634865 1056549915 /nfs/dbraw/zinc/54/99/15/1056549915.db2.gz KEFNPXIKWADEQY-INIZCTEOSA-N 1 3 306.453 4.030 20 0 DIADHO CN1CCC[C@@H]1CC[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC001616382372 1056646741 /nfs/dbraw/zinc/64/67/41/1056646741.db2.gz KJDVDABZAPZJNF-UXHICEINSA-N 1 3 300.490 4.382 20 0 DIADHO CC(C)COc1ccc(C(C)(C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC001616787028 1056717279 /nfs/dbraw/zinc/71/72/79/1056717279.db2.gz SCAAFTYJQAMDDB-SFHVURJKSA-N 1 3 318.505 4.030 20 0 DIADHO CC[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(Cl)s1 ZINC001617089164 1056773454 /nfs/dbraw/zinc/77/34/54/1056773454.db2.gz SCMFBTFZFXEVFD-CYBMUJFWSA-N 1 3 300.899 4.318 20 0 DIADHO Cc1cc(C)cc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000065976497 1056818153 /nfs/dbraw/zinc/81/81/53/1056818153.db2.gz FVOBDWPHEWLLLO-UHFFFAOYSA-N 1 3 310.485 4.433 20 0 DIADHO Cc1cc(C)cc(CNCc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000065976497 1056818165 /nfs/dbraw/zinc/81/81/65/1056818165.db2.gz FVOBDWPHEWLLLO-UHFFFAOYSA-N 1 3 310.485 4.433 20 0 DIADHO CC(C)Cc1ccc(-c2ccccc2CN2CCC([NH3+])CC2)cc1 ZINC001241326328 1057015158 /nfs/dbraw/zinc/01/51/58/1057015158.db2.gz GRIDRIPCMCFDPL-UHFFFAOYSA-N 1 3 322.496 4.475 20 0 DIADHO CC[NH+](CC)Cc1ccc(-c2ccc3c(N)ccnc3c2)cc1 ZINC001241582580 1057097950 /nfs/dbraw/zinc/09/79/50/1057097950.db2.gz GGCHPVLYOJLPJZ-UHFFFAOYSA-N 1 3 305.425 4.326 20 0 DIADHO Fc1cc(-c2ccc3c(c2)C[NH2+]C3)ccc1CN1CCCCC1 ZINC001242677176 1057444785 /nfs/dbraw/zinc/44/47/85/1057444785.db2.gz ZNTDSWUATQTKRP-UHFFFAOYSA-N 1 3 310.416 4.082 20 0 DIADHO Cc1nc([C@H](C)NCC2CC[NH+](CCC(C)C)CC2)c(C)s1 ZINC000676492346 1057476703 /nfs/dbraw/zinc/47/67/03/1057476703.db2.gz MPNJCFYGDLJXEJ-AWEZNQCLSA-N 1 3 323.550 4.169 20 0 DIADHO C[N@@H+]1CC[C@@H](N[C@H](c2ccc(F)cc2)C2CCC2)CC1(C)C ZINC001649134316 1057552960 /nfs/dbraw/zinc/55/29/60/1057552960.db2.gz WPWSLIPMIMSPIO-MSOLQXFVSA-N 1 3 304.453 4.129 20 0 DIADHO C[N@H+]1CC[C@@H](N[C@H](c2ccc(F)cc2)C2CCC2)CC1(C)C ZINC001649134316 1057552968 /nfs/dbraw/zinc/55/29/68/1057552968.db2.gz WPWSLIPMIMSPIO-MSOLQXFVSA-N 1 3 304.453 4.129 20 0 DIADHO C[NH+]1CCC(NCc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000073798626 1057560199 /nfs/dbraw/zinc/56/01/99/1057560199.db2.gz HRJNEDDBJJBZTI-UHFFFAOYSA-N 1 3 320.889 4.252 20 0 DIADHO CC[NH+](CC)Cc1ccccc1-c1cnccc1/C=C/N(C)C ZINC001243340421 1057652240 /nfs/dbraw/zinc/65/22/40/1057652240.db2.gz QJQUKERVXUKABC-WYMLVPIESA-N 1 3 309.457 4.123 20 0 DIADHO c1ccc(-c2cccc(CCN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000166850749 1057678830 /nfs/dbraw/zinc/67/88/30/1057678830.db2.gz NKUAGEGYBRNWMX-FCHUYYIVSA-N 1 3 320.480 4.113 20 0 DIADHO c1ccc(-c2cccc(CCN[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000166850749 1057678834 /nfs/dbraw/zinc/67/88/34/1057678834.db2.gz NKUAGEGYBRNWMX-FCHUYYIVSA-N 1 3 320.480 4.113 20 0 DIADHO C(=C/C1CC[NH2+]CC1)\c1nccc2c1ccn2Cc1ccccc1 ZINC001243892664 1057800576 /nfs/dbraw/zinc/80/05/76/1057800576.db2.gz LNHQFKSKZQNANS-VOTSOKGWSA-N 1 3 317.436 4.097 20 0 DIADHO c1ccc(C[C@H]2C[C@@H]([NH2+][C@@H]3CCCc4ccccc43)CCN2)cc1 ZINC001246077785 1058665847 /nfs/dbraw/zinc/66/58/47/1058665847.db2.gz KHQOGQMBIWPNBM-JAXLGGSGSA-N 1 3 320.480 4.017 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)N[C@H]1C[NH2+]CC[C@H]1C ZINC001246100882 1058678498 /nfs/dbraw/zinc/67/84/98/1058678498.db2.gz XYBUIWYEHOGWSK-FGSXEWAUSA-N 1 3 322.496 4.185 20 0 DIADHO C[C@H]1C[C@H]([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)CCN1 ZINC001246112331 1058680014 /nfs/dbraw/zinc/68/00/14/1058680014.db2.gz RGIIVEGENSFFOW-SMRZUVACSA-N 1 3 306.881 4.096 20 0 DIADHO CC[C@@H]1C[C@@H](NCCc2cccc(Oc3ccccc3)c2)CC[NH2+]1 ZINC001246160624 1058701786 /nfs/dbraw/zinc/70/17/86/1058701786.db2.gz UHBDFCOTAHYULH-MOPGFXCFSA-N 1 3 324.468 4.142 20 0 DIADHO Cc1ccc([C@H](C)[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246155169 1058702291 /nfs/dbraw/zinc/70/22/91/1058702291.db2.gz UPJKFQLTEJRMHI-YYWHXJBOSA-N 1 3 308.469 4.009 20 0 DIADHO CC[C@H]1C[C@H](NCCc2ccc(-c3ccccc3)cc2)CC[NH2+]1 ZINC001246163357 1058707220 /nfs/dbraw/zinc/70/72/20/1058707220.db2.gz MKZVFHQFRZZXJR-LEWJYISDSA-N 1 3 308.469 4.016 20 0 DIADHO CC[C@H]1C[C@H]([NH2+]CCc2ccc(-c3ccccc3)cc2)CCN1 ZINC001246163357 1058707234 /nfs/dbraw/zinc/70/72/34/1058707234.db2.gz MKZVFHQFRZZXJR-LEWJYISDSA-N 1 3 308.469 4.016 20 0 DIADHO Cc1ccc(Cl)c(CNC2CCC3(CC[NH2+]CC3)CC2)c1F ZINC001246162522 1058707522 /nfs/dbraw/zinc/70/75/22/1058707522.db2.gz ZUNDVIDHPAHTIE-UHFFFAOYSA-N 1 3 324.871 4.190 20 0 DIADHO CC(C)c1ccc(C[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246163027 1058707859 /nfs/dbraw/zinc/70/78/59/1058707859.db2.gz VAZZZPSHNQSIDH-FGZHOGPDSA-N 1 3 322.496 4.263 20 0 DIADHO C[C@H]1CC([NH2+]CCc2ccc(-c3ccccc3)cc2)C[C@H](C)N1 ZINC001246163967 1058709697 /nfs/dbraw/zinc/70/96/97/1058709697.db2.gz RUMGUHRFCXBLFS-IRXDYDNUSA-N 1 3 308.469 4.015 20 0 DIADHO c1ccc(-c2ccc(CC[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4)cc2)cc1 ZINC001246165281 1058709829 /nfs/dbraw/zinc/70/98/29/1058709829.db2.gz ZTMVWJRKMKBWOE-ZBYYUNFXSA-N 1 3 320.480 4.159 20 0 DIADHO CCCC[C@@H]1C[C@H](NCCCOc2cccc(Cl)c2)CC[NH2+]1 ZINC001246172971 1058715315 /nfs/dbraw/zinc/71/53/15/1058715315.db2.gz FLANOTTWBCHACM-IAGOWNOFSA-N 1 3 324.896 4.009 20 0 DIADHO CC(C)(C)[C@H]1C[C@H]([NH2+]C(C)(C)Cc2ccc(Cl)cc2)CCN1 ZINC001246177009 1058718204 /nfs/dbraw/zinc/71/82/04/1058718204.db2.gz BTONBSKWSHRMQM-IAGOWNOFSA-N 1 3 322.924 4.417 20 0 DIADHO CC[C@H]1CC(NCCCOc2cccc(Cl)c2)C[C@H](CC)[NH2+]1 ZINC001246176739 1058719728 /nfs/dbraw/zinc/71/97/28/1058719728.db2.gz RHDKDQDLVNWRIW-HOTGVXAUSA-N 1 3 324.896 4.008 20 0 DIADHO Cc1cc(F)ccc1[C@@H]1C[C@H](NC/C=C/c2ccccc2)CC[NH2+]1 ZINC001246177625 1058724482 /nfs/dbraw/zinc/72/44/82/1058724482.db2.gz CJGJSAXMAKZCSL-PAFQEJSVSA-N 1 3 324.443 4.230 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+]CCCc2ccc(Cl)cc2)CCN1 ZINC001246183481 1058727306 /nfs/dbraw/zinc/72/73/06/1058727306.db2.gz YHGQDVXWHIMONO-MSOLQXFVSA-N 1 3 308.897 4.173 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)N[C@@]1(C)CCC[NH2+]C1 ZINC001246190759 1058733143 /nfs/dbraw/zinc/73/31/43/1058733143.db2.gz SEWUUSPNKPRLEO-AVRDEDQJSA-N 1 3 322.496 4.329 20 0 DIADHO c1ccc(C2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4)CCCCCC2)cc1 ZINC001246192914 1058733758 /nfs/dbraw/zinc/73/37/58/1058733758.db2.gz DGDOGIWFKNROJP-PMOLBWCYSA-N 1 3 312.501 4.499 20 0 DIADHO c1ccc(C2(N[C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CCCCCC2)cc1 ZINC001246192914 1058733770 /nfs/dbraw/zinc/73/37/70/1058733770.db2.gz DGDOGIWFKNROJP-PMOLBWCYSA-N 1 3 312.501 4.499 20 0 DIADHO CC(C)(Cc1ccc2ccccc2c1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC001246192179 1058735575 /nfs/dbraw/zinc/73/55/75/1058735575.db2.gz UIHIVQQCMCJLHF-HXUWFJFHSA-N 1 3 322.496 4.425 20 0 DIADHO Cc1cc(F)cc(C)c1CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246201066 1058740706 /nfs/dbraw/zinc/74/07/06/1058740706.db2.gz UKLOTLWBZMTELK-ICSRJNTNSA-N 1 3 312.432 4.025 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@H]1CCNC[C@@H]1C ZINC001246213129 1058743943 /nfs/dbraw/zinc/74/39/43/1058743943.db2.gz YYIPYCJZQYRULT-SVMVAKDDSA-N 1 3 322.496 4.185 20 0 DIADHO CC[C@H](N[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccc(C)cc1 ZINC001246230973 1058752771 /nfs/dbraw/zinc/75/27/71/1058752771.db2.gz BZTBFZPVBCBYDB-FKBYEOEOSA-N 1 3 322.496 4.399 20 0 DIADHO CC[C@H]([NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1)c1ccc(C)cc1 ZINC001246230973 1058752791 /nfs/dbraw/zinc/75/27/91/1058752791.db2.gz BZTBFZPVBCBYDB-FKBYEOEOSA-N 1 3 322.496 4.399 20 0 DIADHO COc1ccc(C(C)(C)N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001246230514 1058753690 /nfs/dbraw/zinc/75/36/90/1058753690.db2.gz BUCKFALNRAHUKJ-QUCCMNQESA-N 1 3 324.468 4.013 20 0 DIADHO CC1(C)C[C@H]([NH2+]CCC(c2ccccc2)c2ccccc2)CCN1 ZINC001246231726 1058755223 /nfs/dbraw/zinc/75/52/23/1058755223.db2.gz DKDYFFGBDYWQJH-HXUWFJFHSA-N 1 3 322.496 4.329 20 0 DIADHO C=Cc1ccc(CN[C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)cc1 ZINC001246233824 1058758000 /nfs/dbraw/zinc/75/80/00/1058758000.db2.gz FFSKCOSSVKZZET-TZIWHRDSSA-N 1 3 324.443 4.360 20 0 DIADHO CC[C@@H]1C[C@H]([NH2+]CCC(c2ccccc2)c2ccccc2)CCN1 ZINC001246233402 1058758763 /nfs/dbraw/zinc/75/87/63/1058758763.db2.gz JSQPWWIDIYTVKC-NHCUHLMSSA-N 1 3 322.496 4.329 20 0 DIADHO CCCC[C@H]1C[C@H](NCCc2ccc3ccccc3c2)CC[NH2+]1 ZINC001246236696 1058760628 /nfs/dbraw/zinc/76/06/28/1058760628.db2.gz YBOJAWPQXOOGRM-LEWJYISDSA-N 1 3 310.485 4.283 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H](NCC2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246238363 1058762561 /nfs/dbraw/zinc/76/25/61/1058762561.db2.gz LMIBXTZBZRQYJP-IRXDYDNUSA-N 1 3 320.908 4.128 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CCN1 ZINC001246236645 1058762593 /nfs/dbraw/zinc/76/25/93/1058762593.db2.gz XMSAPBYKOCRURN-WCIQWLHISA-N 1 3 314.517 4.469 20 0 DIADHO CC[C@@H]1C[C@H](NCC2(c3ccc(Cl)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246241085 1058764509 /nfs/dbraw/zinc/76/45/09/1058764509.db2.gz WQTJXBWKZPOWCP-PIIMJCKOSA-N 1 3 320.908 4.270 20 0 DIADHO CC[C@@H]1CC(NCC2(c3ccc(Cl)cc3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246241083 1058765591 /nfs/dbraw/zinc/76/55/91/1058765591.db2.gz WQTJXBWKZPOWCP-IAGOWNOFSA-N 1 3 320.908 4.270 20 0 DIADHO CC[C@@H]1C[C@H]([NH2+]CCCc2ccc(Cl)cc2Cl)CCN1 ZINC001246254414 1058775041 /nfs/dbraw/zinc/77/50/41/1058775041.db2.gz HBDBLXLBECRYLY-HUUCEWRRSA-N 1 3 315.288 4.046 20 0 DIADHO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246273789 1058786932 /nfs/dbraw/zinc/78/69/32/1058786932.db2.gz VRNKLLPNIFYCQM-SXLOBPIMSA-N 1 3 308.469 4.009 20 0 DIADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246273788 1058787551 /nfs/dbraw/zinc/78/75/51/1058787551.db2.gz VRNKLLPNIFYCQM-IHPCNDPISA-N 1 3 308.469 4.009 20 0 DIADHO OCCCCCCCCCCCC[NH2+][C@H]1CCNC2(CCC2)C1 ZINC001246274633 1058791878 /nfs/dbraw/zinc/79/18/78/1058791878.db2.gz YMCADGXTGRMHKT-IBGZPJMESA-N 1 3 324.553 4.144 20 0 DIADHO C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC1(N)CCCCC1 ZINC001246280820 1058793407 /nfs/dbraw/zinc/79/34/07/1058793407.db2.gz XPNZQXMAXSSCLI-ZDUSSCGKSA-N 1 3 312.910 4.072 20 0 DIADHO CC[C@@H]1C[C@H](N[C@H](c2ccccc2)C2CCC2)C[C@H](CC)[NH2+]1 ZINC001246286949 1058802171 /nfs/dbraw/zinc/80/21/71/1058802171.db2.gz IWZZMRXNSKHALX-FUMNGEBKSA-N 1 3 300.490 4.427 20 0 DIADHO CCOc1cccc([C@@H](C)N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246294711 1058808737 /nfs/dbraw/zinc/80/87/37/1058808737.db2.gz HOMRITRQNVHFAO-OZOXKJRCSA-N 1 3 324.468 4.229 20 0 DIADHO Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)c1 ZINC001246297778 1058811220 /nfs/dbraw/zinc/81/12/20/1058811220.db2.gz OFMXUKYBDDYGIW-COPCDDAFSA-N 1 3 322.496 4.317 20 0 DIADHO CCCC[C@@H]1C[C@H](NC(C)(C)Cc2ccccc2F)CC[NH2+]1 ZINC001246311776 1058820854 /nfs/dbraw/zinc/82/08/54/1058820854.db2.gz SUGXKGJIXWJNCA-IAGOWNOFSA-N 1 3 306.469 4.047 20 0 DIADHO CC[C@@H](N[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccccc1C ZINC001246315886 1058823806 /nfs/dbraw/zinc/82/38/06/1058823806.db2.gz XDFBJAHJKRAVNP-KCZVDYSFSA-N 1 3 322.496 4.399 20 0 DIADHO CC[C@@H]([NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1)c1ccccc1C ZINC001246315886 1058823831 /nfs/dbraw/zinc/82/38/31/1058823831.db2.gz XDFBJAHJKRAVNP-KCZVDYSFSA-N 1 3 322.496 4.399 20 0 DIADHO CC[C@@H](N[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccccc1C ZINC001246315887 1058823909 /nfs/dbraw/zinc/82/39/09/1058823909.db2.gz XDFBJAHJKRAVNP-RZUBCFFCSA-N 1 3 322.496 4.399 20 0 DIADHO CC[C@@H]([NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1)c1ccccc1C ZINC001246315887 1058823941 /nfs/dbraw/zinc/82/39/41/1058823941.db2.gz XDFBJAHJKRAVNP-RZUBCFFCSA-N 1 3 322.496 4.399 20 0 DIADHO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246318388 1058830642 /nfs/dbraw/zinc/83/06/42/1058830642.db2.gz SYYPMDHSLMMFEH-CEWLAPEOSA-N 1 3 322.496 4.317 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH2+]CCC2CCC(F)(F)CC2)CCN1 ZINC001246320960 1058834913 /nfs/dbraw/zinc/83/49/13/1058834913.db2.gz MHGUQHNURLLVMB-HOTGVXAUSA-N 1 3 302.453 4.102 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+]CCC2CCC(F)(F)CC2)CCN1 ZINC001246320959 1058835387 /nfs/dbraw/zinc/83/53/87/1058835387.db2.gz MHGUQHNURLLVMB-CVEARBPZSA-N 1 3 302.453 4.102 20 0 DIADHO CC(C)(C)[C@H]1C[C@H]([NH2+][C@@]23C[C@H]4C[C@@](C)(C2)C[C@](C)(C4)C3)CCN1 ZINC001246337500 1058848803 /nfs/dbraw/zinc/84/88/03/1058848803.db2.gz VXTFOFWLTOPBFL-PGGJBCGDSA-N 1 3 318.549 4.492 20 0 DIADHO CC[C@@H](C)C[C@@H](CC)NC1(c2ccc(F)cc2)CC[NH2+]CC1 ZINC001246337384 1058849867 /nfs/dbraw/zinc/84/98/67/1058849867.db2.gz SHSYLOXSJYNUSA-CRAIPNDOSA-N 1 3 306.469 4.209 20 0 DIADHO Cc1ccc(C[C@H](N[C@@H]2CCC[NH2+]CC2)c2ccccc2)cc1 ZINC001246341503 1058853484 /nfs/dbraw/zinc/85/34/84/1058853484.db2.gz ZSTHRJRETWYEDT-RTWAWAEBSA-N 1 3 308.469 4.011 20 0 DIADHO CC[C@@H]1CC(NCCc2ccc(C(C)C)cc2)C[C@@H](CC)[NH2+]1 ZINC001246342102 1058854260 /nfs/dbraw/zinc/85/42/60/1058854260.db2.gz FQIIAKXOKFYKMP-RTBURBONSA-N 1 3 302.506 4.251 20 0 DIADHO C[NH2+]C1CCC(NCc2c(Cl)ccc(Cl)c2Cl)CC1 ZINC001246346571 1058856804 /nfs/dbraw/zinc/85/68/04/1058856804.db2.gz OBTJIZQMSQQNQG-UHFFFAOYSA-N 1 3 321.679 4.267 20 0 DIADHO c1ccc([C@@H]2C[C@@H](N[C@@H]3CCCNc4ccccc43)CC[NH2+]2)cc1 ZINC001246358401 1058868589 /nfs/dbraw/zinc/86/85/89/1058868589.db2.gz PBASCIGZQHQVLF-WMQCIHAUSA-N 1 3 321.468 4.016 20 0 DIADHO CCC1CCC([NH2+]C2(c3ccccc3Cl)CCNCC2)CC1 ZINC001246374874 1058879043 /nfs/dbraw/zinc/87/90/43/1058879043.db2.gz MWPPWANISRNOOG-UHFFFAOYSA-N 1 3 320.908 4.477 20 0 DIADHO CC1(C)CCC([NH2+]C2(Cc3ccccc3F)CCNCC2)CC1 ZINC001246379761 1058881609 /nfs/dbraw/zinc/88/16/09/1058881609.db2.gz CILDJWQSGPGQER-UHFFFAOYSA-N 1 3 318.480 4.049 20 0 DIADHO CC1(C)CNCC[C@@H]1[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246377328 1058882334 /nfs/dbraw/zinc/88/23/34/1058882334.db2.gz NOHLJMNGWYKRIG-VJFUWPCTSA-N 1 3 320.908 4.344 20 0 DIADHO COc1ccccc1C1([NH2+][C@@H](C)CCCC(C)C)CCNCC1 ZINC001246378379 1058884701 /nfs/dbraw/zinc/88/47/01/1058884701.db2.gz XNJUKLBUGSNRRK-KRWDZBQOSA-N 1 3 318.505 4.078 20 0 DIADHO CC[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3Cl)CCNCC2)C1 ZINC001246379618 1058885645 /nfs/dbraw/zinc/88/56/45/1058885645.db2.gz ZRAJXNCKODDBHV-CABCVRRESA-N 1 3 306.881 4.087 20 0 DIADHO CCCC[C@@H](CCC)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246381338 1058886376 /nfs/dbraw/zinc/88/63/76/1058886376.db2.gz PGAPXMITGRBBHM-GOSISDBHSA-N 1 3 320.496 4.439 20 0 DIADHO CC1(C)CC[C@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)C1 ZINC001246385784 1058890274 /nfs/dbraw/zinc/89/02/74/1058890274.db2.gz DZMIYHVDMAEIET-KRWDZBQOSA-N 1 3 320.908 4.173 20 0 DIADHO CCCCC[C@H](C)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246390267 1058892647 /nfs/dbraw/zinc/89/26/47/1058892647.db2.gz KHMGTMSSMBRMME-INIZCTEOSA-N 1 3 306.469 4.049 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+]CC2(Cc3ccc(C)cc3)CC2)CCN1 ZINC001246387289 1058893705 /nfs/dbraw/zinc/89/37/05/1058893705.db2.gz XXGKZYVXXDANAI-WOJBJXKFSA-N 1 3 314.517 4.218 20 0 DIADHO CCCC[C@@H](CC)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246392322 1058896690 /nfs/dbraw/zinc/89/66/90/1058896690.db2.gz RUBAHKNFQMCODH-GOSISDBHSA-N 1 3 306.469 4.049 20 0 DIADHO Clc1ccccc1CC1([NH2+]C2CCCCCC2)CCNCC1 ZINC001246395831 1058901073 /nfs/dbraw/zinc/90/10/73/1058901073.db2.gz XFAZKOYSRTXXHH-UHFFFAOYSA-N 1 3 320.908 4.317 20 0 DIADHO CCC1([NH2+][C@H]2CCN[C@@H](C(C)(C)C)C2)CCC(F)(F)CC1 ZINC001246410463 1058910930 /nfs/dbraw/zinc/91/09/30/1058910930.db2.gz HFBOAIAKWLHUQY-UONOGXRCSA-N 1 3 302.453 4.101 20 0 DIADHO CCC1([NH2+][C@H]2CCN[C@H](C(C)(C)C)C2)CCC(F)(F)CC1 ZINC001246410461 1058911730 /nfs/dbraw/zinc/91/17/30/1058911730.db2.gz HFBOAIAKWLHUQY-KBPBESRZSA-N 1 3 302.453 4.101 20 0 DIADHO Cc1cccc(C2(N[C@H]3CC[NH2+][C@@H](C)C3)CCC(F)(F)CC2)c1 ZINC001246411094 1058913703 /nfs/dbraw/zinc/91/37/03/1058913703.db2.gz ZQEYRZQVEZUVLC-RDJZCZTQSA-N 1 3 322.443 4.130 20 0 DIADHO Cc1cccc(C2([NH2+][C@H]3CCN[C@@H](C)C3)CCC(F)(F)CC2)c1 ZINC001246411094 1058913719 /nfs/dbraw/zinc/91/37/19/1058913719.db2.gz ZQEYRZQVEZUVLC-RDJZCZTQSA-N 1 3 322.443 4.130 20 0 DIADHO Cc1cccc(C2(N[C@@H]3CC[NH2+][C@@H](C)C3)CCC(F)(F)CC2)c1 ZINC001246411090 1058914345 /nfs/dbraw/zinc/91/43/45/1058914345.db2.gz ZQEYRZQVEZUVLC-DOTOQJQBSA-N 1 3 322.443 4.130 20 0 DIADHO Cc1cccc(C2([NH2+][C@@H]3CCN[C@@H](C)C3)CCC(F)(F)CC2)c1 ZINC001246411090 1058914366 /nfs/dbraw/zinc/91/43/66/1058914366.db2.gz ZQEYRZQVEZUVLC-DOTOQJQBSA-N 1 3 322.443 4.130 20 0 DIADHO CCCCCC[C@H](CC)[NH2+]C1(Cc2cccnc2)CCNCC1 ZINC001246423352 1058917289 /nfs/dbraw/zinc/91/72/89/1058917289.db2.gz ZMVFEHLUKMRYDA-IBGZPJMESA-N 1 3 317.521 4.085 20 0 DIADHO CCC(CC)NC1(c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC001246419067 1058920188 /nfs/dbraw/zinc/92/01/88/1058920188.db2.gz CLVBWXMSXODRMP-UHFFFAOYSA-N 1 3 314.395 4.062 20 0 DIADHO CCC[C@H](CC)[NH2+]C1(Cc2cccc(Cl)c2)CCNCC1 ZINC001246428493 1058921476 /nfs/dbraw/zinc/92/14/76/1058921476.db2.gz KXDBNQDTIWQQSL-KRWDZBQOSA-N 1 3 308.897 4.173 20 0 DIADHO CCC(CC)NC1(c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001246428885 1058922687 /nfs/dbraw/zinc/92/26/87/1058922687.db2.gz CQZDPFZSLAUUNI-UHFFFAOYSA-N 1 3 314.395 4.062 20 0 DIADHO CC[C@@H](C)C[C@@H](CC)[NH2+]C1(c2ccccc2F)CCNCC1 ZINC001246427660 1058923116 /nfs/dbraw/zinc/92/31/16/1058923116.db2.gz FJBDATRSOKMUSK-HZPDHXFCSA-N 1 3 306.469 4.209 20 0 DIADHO CC1(C)CCC(NC2(c3cccc(Cl)c3)CC[NH2+]CC2)CC1 ZINC001246428890 1058923644 /nfs/dbraw/zinc/92/36/44/1058923644.db2.gz CVCSJSOFZKZHLX-UHFFFAOYSA-N 1 3 320.908 4.477 20 0 DIADHO C[C@@H]1CC[C@H](NC2(c3cccc(Cl)c3)CC[NH2+]CC2)C[C@@H]1C ZINC001246439116 1058929359 /nfs/dbraw/zinc/92/93/59/1058929359.db2.gz UKIRABOSIZPFEX-VKJFTORMSA-N 1 3 320.908 4.333 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+]CC(C)(C)Cc2ccccc2F)CCN1 ZINC001246439260 1058933130 /nfs/dbraw/zinc/93/31/30/1058933130.db2.gz NUYLPZSQZVOKGM-QZTJIDSGSA-N 1 3 320.496 4.295 20 0 DIADHO CC[C@@H]1CC(NCC2(Cc3ccccc3F)CC2)C[C@@H](CC)[NH2+]1 ZINC001246440418 1058935307 /nfs/dbraw/zinc/93/53/07/1058935307.db2.gz SXBBXWPISWEBLQ-IAGOWNOFSA-N 1 3 318.480 4.047 20 0 DIADHO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C2(CC3CCC3)CCNCC2)C1 ZINC001246446018 1058938681 /nfs/dbraw/zinc/93/86/81/1058938681.db2.gz JQUOLJOGGRXFFJ-HUUCEWRRSA-N 1 3 318.427 4.010 20 0 DIADHO CC[C@H](C)C[C@H](CC)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246452418 1058941456 /nfs/dbraw/zinc/94/14/56/1058941456.db2.gz FQGSXRJKZMCJQE-HKUYNNGSSA-N 1 3 302.506 4.156 20 0 DIADHO Cc1ccccc1C1(N[C@H]2CC[NH2+][C@H](C)C2)CCC(F)(F)CC1 ZINC001246457596 1058944450 /nfs/dbraw/zinc/94/44/50/1058944450.db2.gz OBOKKCNPXRCSJQ-CVEARBPZSA-N 1 3 322.443 4.130 20 0 DIADHO Cc1ccccc1C1([NH2+][C@H]2CCN[C@H](C)C2)CCC(F)(F)CC1 ZINC001246457596 1058944466 /nfs/dbraw/zinc/94/44/66/1058944466.db2.gz OBOKKCNPXRCSJQ-CVEARBPZSA-N 1 3 322.443 4.130 20 0 DIADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246457394 1058944755 /nfs/dbraw/zinc/94/47/55/1058944755.db2.gz KQFFGZPDXSYONB-RBUKOAKNSA-N 1 3 316.533 4.402 20 0 DIADHO CC(C)[C@H]1C[C@@H](N[C@@H](c2ccccc2)C2CCCC2)CC[NH2+]1 ZINC001246468136 1058952910 /nfs/dbraw/zinc/95/29/10/1058952910.db2.gz HUMPCCOHOFWEBK-ZCNNSNEGSA-N 1 3 300.490 4.284 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246494503 1058970277 /nfs/dbraw/zinc/97/02/77/1058970277.db2.gz GPNDMAABNJDENW-DYEKYZERSA-N 1 3 315.288 4.045 20 0 DIADHO Fc1cccc2c1CCC[C@H]2N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246500164 1058974337 /nfs/dbraw/zinc/97/43/37/1058974337.db2.gz PHRCZRKKBSFXBG-HBGVWJBISA-N 1 3 324.443 4.286 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H](N[C@@H]2CCCCc3ccccc32)CC[NH2+]1 ZINC001246498475 1058975391 /nfs/dbraw/zinc/97/53/91/1058975391.db2.gz RTQHKFFKLCBGKL-UHOSZYNNSA-N 1 3 300.490 4.210 20 0 DIADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(/C=C/c3ccccc3)cc2)CCN1 ZINC001246508888 1058977116 /nfs/dbraw/zinc/97/71/16/1058977116.db2.gz DCXCUKHQDXMGFG-SGMDADPQSA-N 1 3 320.480 4.130 20 0 DIADHO C[C@H]1C[C@H]([NH2+]CCc2ccc(/C=C/c3ccccc3)cc2)CCN1 ZINC001246508882 1058977298 /nfs/dbraw/zinc/97/72/98/1058977298.db2.gz DCXCUKHQDXMGFG-HMRDUNCJSA-N 1 3 320.480 4.130 20 0 DIADHO C[C@H](Cc1ccccc1Cl)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246510330 1058979486 /nfs/dbraw/zinc/97/94/86/1058979486.db2.gz HADOUNOVJCBRMA-NVXWUHKLSA-N 1 3 320.908 4.316 20 0 DIADHO CC(C)(C)[C@H]1C[C@H]([N@H+](Cc2ccccc2)C(C)(C)C)CCN1 ZINC001246518635 1058982182 /nfs/dbraw/zinc/98/21/82/1058982182.db2.gz HOJZGRATIYJFIL-QZTJIDSGSA-N 1 3 302.506 4.454 20 0 DIADHO CC(C)(C)[C@H]1C[C@H]([N@@H+](Cc2ccccc2)C(C)(C)C)CCN1 ZINC001246518635 1058982200 /nfs/dbraw/zinc/98/22/00/1058982200.db2.gz HOJZGRATIYJFIL-QZTJIDSGSA-N 1 3 302.506 4.454 20 0 DIADHO CC[C@@H]([NH2+][C@@H](C)CC(c1ccccc1)c1ccccc1)C1CNC1 ZINC001246519546 1058983060 /nfs/dbraw/zinc/98/30/60/1058983060.db2.gz SHJHCPPRCWNNJP-HTAPYJJXSA-N 1 3 322.496 4.185 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H]([N@H+](Cc2ccccc2)C(C)(C)C)CCN1 ZINC001246518638 1058983899 /nfs/dbraw/zinc/98/38/99/1058983899.db2.gz HOJZGRATIYJFIL-ZWKOTPCHSA-N 1 3 302.506 4.454 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H]([N@@H+](Cc2ccccc2)C(C)(C)C)CCN1 ZINC001246518638 1058983921 /nfs/dbraw/zinc/98/39/21/1058983921.db2.gz HOJZGRATIYJFIL-ZWKOTPCHSA-N 1 3 302.506 4.454 20 0 DIADHO CC1(C)C[C@H]([NH+]2CCC(CCCc3ccccc3)CC2)CCN1 ZINC001246535850 1058986257 /nfs/dbraw/zinc/98/62/57/1058986257.db2.gz MPDGDKXJJCADTP-HXUWFJFHSA-N 1 3 314.517 4.252 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)N1CCC[C@H]([NH3+])CC1 ZINC001246542518 1058992701 /nfs/dbraw/zinc/99/27/01/1058992701.db2.gz PUPASPDXWBKVIT-OCCSQVGLSA-N 1 3 315.288 4.128 20 0 DIADHO CC(C)C[N@H+](Cc1ccccc1)[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246562264 1059004649 /nfs/dbraw/zinc/00/46/49/1059004649.db2.gz XKLRZRPIHAPGBH-RTBURBONSA-N 1 3 302.506 4.311 20 0 DIADHO CC(C)C[N@@H+](Cc1ccccc1)[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246562264 1059004671 /nfs/dbraw/zinc/00/46/71/1059004671.db2.gz XKLRZRPIHAPGBH-RTBURBONSA-N 1 3 302.506 4.311 20 0 DIADHO CC(C)[N@H+]([C@@H](C)Cc1ccc(Cl)cc1)[C@@H]1CCCNCC1 ZINC001246590677 1059015366 /nfs/dbraw/zinc/01/53/66/1059015366.db2.gz HQXIBRLCHGPFNJ-MAUKXSAKSA-N 1 3 308.897 4.124 20 0 DIADHO CC(C)[N@@H+]([C@@H](C)Cc1ccc(Cl)cc1)[C@@H]1CCCNCC1 ZINC001246590677 1059015388 /nfs/dbraw/zinc/01/53/88/1059015388.db2.gz HQXIBRLCHGPFNJ-MAUKXSAKSA-N 1 3 308.897 4.124 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[N@H+](C(C)C)[C@@H]1CCCNCC1 ZINC001246593423 1059016863 /nfs/dbraw/zinc/01/68/63/1059016863.db2.gz MUVZXMZIOLRUAK-UXHICEINSA-N 1 3 302.506 4.250 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[N@@H+](C(C)C)[C@@H]1CCCNCC1 ZINC001246593423 1059016883 /nfs/dbraw/zinc/01/68/83/1059016883.db2.gz MUVZXMZIOLRUAK-UXHICEINSA-N 1 3 302.506 4.250 20 0 DIADHO CCC[C@H](Cc1ccccc1)[N@H+](C(C)C)[C@H]1CCCNCC1 ZINC001246593424 1059017036 /nfs/dbraw/zinc/01/70/36/1059017036.db2.gz MUVZXMZIOLRUAK-VQTJNVASSA-N 1 3 302.506 4.250 20 0 DIADHO CCC[C@H](Cc1ccccc1)[N@@H+](C(C)C)[C@H]1CCCNCC1 ZINC001246593424 1059017061 /nfs/dbraw/zinc/01/70/61/1059017061.db2.gz MUVZXMZIOLRUAK-VQTJNVASSA-N 1 3 302.506 4.250 20 0 DIADHO CC[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)C2CCCCC2)CCN1 ZINC001246593169 1059018471 /nfs/dbraw/zinc/01/84/71/1059018471.db2.gz ANBSTMMBMDYRJV-QUCCMNQESA-N 1 3 300.490 4.352 20 0 DIADHO CC[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C2CCCCC2)CCN1 ZINC001246593169 1059018483 /nfs/dbraw/zinc/01/84/83/1059018483.db2.gz ANBSTMMBMDYRJV-QUCCMNQESA-N 1 3 300.490 4.352 20 0 DIADHO CC1(C)C[C@@H]([N@H+](Cc2ccccc2)C2CCCCC2)CCN1 ZINC001246593241 1059018654 /nfs/dbraw/zinc/01/86/54/1059018654.db2.gz AYOMRUZULFQYJW-IBGZPJMESA-N 1 3 300.490 4.352 20 0 DIADHO CC1(C)C[C@@H]([N@@H+](Cc2ccccc2)C2CCCCC2)CCN1 ZINC001246593241 1059018677 /nfs/dbraw/zinc/01/86/77/1059018677.db2.gz AYOMRUZULFQYJW-IBGZPJMESA-N 1 3 300.490 4.352 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)N1CCC2(CCCC[NH2+]2)CC1 ZINC001246607398 1059020764 /nfs/dbraw/zinc/02/07/64/1059020764.db2.gz DLADQFPRFIIYPH-FQEVSTJZSA-N 1 3 314.517 4.396 20 0 DIADHO CC(C)[C@@H]1C[C@@H](N2CCC(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246600291 1059022595 /nfs/dbraw/zinc/02/25/95/1059022595.db2.gz LHWHFRDIHXOXFZ-OALUTQOASA-N 1 3 320.908 4.296 20 0 DIADHO Clc1ccc(C2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4)CC2)cc1 ZINC001246605647 1059022958 /nfs/dbraw/zinc/02/29/58/1059022958.db2.gz WVDBYUMXLBSMDX-REPLKXPHSA-N 1 3 318.892 4.193 20 0 DIADHO Clc1ccc(C2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246605647 1059022979 /nfs/dbraw/zinc/02/29/79/1059022979.db2.gz WVDBYUMXLBSMDX-REPLKXPHSA-N 1 3 318.892 4.193 20 0 DIADHO c1ccc([C@@H]2CCC[C@H]([N@@H+]3CCC[C@@]4(CCCNC4)C3)C2)cc1 ZINC001246610643 1059028259 /nfs/dbraw/zinc/02/82/59/1059028259.db2.gz QSMTZDDAIMYWJT-QHAWAJNXSA-N 1 3 312.501 4.178 20 0 DIADHO c1ccc([C@@H]2CCC[C@H]([N@H+]3CCC[C@@]4(CCCNC4)C3)C2)cc1 ZINC001246610643 1059028277 /nfs/dbraw/zinc/02/82/77/1059028277.db2.gz QSMTZDDAIMYWJT-QHAWAJNXSA-N 1 3 312.501 4.178 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@@]2(CCCNC2)C1 ZINC001246609077 1059028344 /nfs/dbraw/zinc/02/83/44/1059028344.db2.gz KPDFJDKXQOWRCM-LEWJYISDSA-N 1 3 314.517 4.254 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[N@H+]1CCC[C@@]2(CCCNC2)C1 ZINC001246609077 1059028368 /nfs/dbraw/zinc/02/83/68/1059028368.db2.gz KPDFJDKXQOWRCM-LEWJYISDSA-N 1 3 314.517 4.254 20 0 DIADHO CC(C)(C)[C@H]1C[C@H]([NH+]2CCC3(C=Cc4ccccc43)CC2)CCN1 ZINC001246647304 1059048384 /nfs/dbraw/zinc/04/83/84/1059048384.db2.gz KGMHUYURLAADKG-UYAOXDASSA-N 1 3 324.512 4.214 20 0 DIADHO CC1(C)CCC[C@H](N2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)C1 ZINC001246674953 1059059074 /nfs/dbraw/zinc/05/90/74/1059059074.db2.gz PHDWJWRGUOUUHC-QKNQBKEWSA-N 1 3 312.501 4.177 20 0 DIADHO C[C@@H](c1ccccc1)N(Cc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC001246677436 1059062404 /nfs/dbraw/zinc/06/24/04/1059062404.db2.gz DUNNXTARZBVVSV-GHTZIAJQSA-N 1 3 308.469 4.392 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H](N2CCC(c3ccccc3)CC2)CC[NH2+]1 ZINC001246691239 1059067154 /nfs/dbraw/zinc/06/71/54/1059067154.db2.gz QEOCKJMCCPTTDL-RBUKOAKNSA-N 1 3 300.490 4.033 20 0 DIADHO c1ccc(C2CCN([C@H]3CC[NH2+]C4(CCCCC4)C3)CC2)cc1 ZINC001246694736 1059068107 /nfs/dbraw/zinc/06/81/07/1059068107.db2.gz WSCPQBMQWCYDQV-FQEVSTJZSA-N 1 3 312.501 4.321 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H](N2CCC(c3ccccc3)CC2)CC[NH2+]1 ZINC001246691237 1059068515 /nfs/dbraw/zinc/06/85/15/1059068515.db2.gz QEOCKJMCCPTTDL-OALUTQOASA-N 1 3 300.490 4.033 20 0 DIADHO CCCN(Cc1ccccc1)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246773826 1059075440 /nfs/dbraw/zinc/07/54/40/1059075440.db2.gz CUWUQKOPQFUDMK-LJQANCHMSA-N 1 3 300.490 4.354 20 0 DIADHO CC[C@@H]1C[C@@H]([N@H+](C)C23CC4CC(CC(C4)C2)C3)C[C@H](CC)N1 ZINC001246781642 1059078798 /nfs/dbraw/zinc/07/87/98/1059078798.db2.gz IBYVVDCUDLJZEK-GEPYFKQHSA-N 1 3 304.522 4.196 20 0 DIADHO CC[C@@H]1C[C@@H]([N@@H+](C)C23CC4CC(CC(C4)C2)C3)C[C@H](CC)N1 ZINC001246781642 1059078818 /nfs/dbraw/zinc/07/88/18/1059078818.db2.gz IBYVVDCUDLJZEK-GEPYFKQHSA-N 1 3 304.522 4.196 20 0 DIADHO CCCC[C@H]1C[C@H]([N@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246782853 1059078901 /nfs/dbraw/zinc/07/89/01/1059078901.db2.gz LLOMSJNWMOLBAO-UFRYGVRYSA-N 1 3 304.522 4.198 20 0 DIADHO CCCC[C@H]1C[C@H]([N@@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246782853 1059078921 /nfs/dbraw/zinc/07/89/21/1059078921.db2.gz LLOMSJNWMOLBAO-UFRYGVRYSA-N 1 3 304.522 4.198 20 0 DIADHO Cc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CCN[C@H](C(C)(C)C)C2)cc1 ZINC001246779653 1059079363 /nfs/dbraw/zinc/07/93/63/1059079363.db2.gz IFZBDLHRLMGMMV-FHWLQOOXSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccc([C@@H]2CCC[N@H+]2[C@H]2CCN[C@H](C(C)(C)C)C2)cc1 ZINC001246779653 1059079387 /nfs/dbraw/zinc/07/93/87/1059079387.db2.gz IFZBDLHRLMGMMV-FHWLQOOXSA-N 1 3 300.490 4.299 20 0 DIADHO CN(CCCc1ccccc1)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246775712 1059080865 /nfs/dbraw/zinc/08/08/65/1059080865.db2.gz KTVCFXBYSNNWTH-IBGZPJMESA-N 1 3 300.490 4.006 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H](N2CCC(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246788928 1059092099 /nfs/dbraw/zinc/09/20/99/1059092099.db2.gz RYYHOWZVVAOUIZ-MOPGFXCFSA-N 1 3 318.480 4.172 20 0 DIADHO c1ccc2cc(C3CCN(C4C[C@H]5CC[C@@H](C4)[NH2+]5)CC3)ccc2c1 ZINC001246794466 1059094225 /nfs/dbraw/zinc/09/42/25/1059094225.db2.gz ZVPTVRVTNNOVAR-CBQGHPETSA-N 1 3 320.480 4.302 20 0 DIADHO CC1(C)C[C@@H]([N@H+](CCc2ccccc2)Cc2ccccc2)CCN1 ZINC001246842700 1059120570 /nfs/dbraw/zinc/12/05/70/1059120570.db2.gz UUMDGBWNGLNEAU-NRFANRHFSA-N 1 3 322.496 4.262 20 0 DIADHO CC1(C)C[C@@H]([N@@H+](CCc2ccccc2)Cc2ccccc2)CCN1 ZINC001246842700 1059120576 /nfs/dbraw/zinc/12/05/76/1059120576.db2.gz UUMDGBWNGLNEAU-NRFANRHFSA-N 1 3 322.496 4.262 20 0 DIADHO c1ccc(CCN(Cc2ccccc2)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246841415 1059120613 /nfs/dbraw/zinc/12/06/13/1059120613.db2.gz RGOIZLXNAHGALO-CBQGHPETSA-N 1 3 320.480 4.014 20 0 DIADHO C[C@@H]1CC([N@H+](CCc2ccccc2)Cc2ccccc2)C[C@@H](C)N1 ZINC001246844449 1059123050 /nfs/dbraw/zinc/12/30/50/1059123050.db2.gz YWYGWPYLNBHKEQ-RTBURBONSA-N 1 3 322.496 4.260 20 0 DIADHO C[C@@H]1CC([N@@H+](CCc2ccccc2)Cc2ccccc2)C[C@@H](C)N1 ZINC001246844449 1059123058 /nfs/dbraw/zinc/12/30/58/1059123058.db2.gz YWYGWPYLNBHKEQ-RTBURBONSA-N 1 3 322.496 4.260 20 0 DIADHO C1C[C@@H](C2CCCCC2)[N@@H+]([C@H]2CCNC3(CCCCC3)C2)C1 ZINC001246867482 1059140928 /nfs/dbraw/zinc/14/09/28/1059140928.db2.gz XYQGUUWGYUOTOR-OALUTQOASA-N 1 3 304.522 4.486 20 0 DIADHO C1C[C@@H](C2CCCCC2)[N@H+]([C@H]2CCNC3(CCCCC3)C2)C1 ZINC001246867482 1059140937 /nfs/dbraw/zinc/14/09/37/1059140937.db2.gz XYQGUUWGYUOTOR-OALUTQOASA-N 1 3 304.522 4.486 20 0 DIADHO Clc1ccc(C2CCC([N@@H+]3C[C@H]4CC[C@@H](C3)NC4)CC2)cc1 ZINC001246868390 1059141610 /nfs/dbraw/zinc/14/16/10/1059141610.db2.gz SKONROMSLOIKDR-YXXBGZSLSA-N 1 3 318.892 4.050 20 0 DIADHO Clc1ccc(C2CCC([N@H+]3C[C@H]4CC[C@@H](C3)NC4)CC2)cc1 ZINC001246868390 1059141621 /nfs/dbraw/zinc/14/16/21/1059141621.db2.gz SKONROMSLOIKDR-YXXBGZSLSA-N 1 3 318.892 4.050 20 0 DIADHO CCN(Cc1c(F)cccc1Cl)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246879879 1059145090 /nfs/dbraw/zinc/14/50/90/1059145090.db2.gz PXOFYWJCBKOVKG-KSSFIOAISA-N 1 3 324.871 4.223 20 0 DIADHO Clc1ccc(SC2CCN([C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC001246877351 1059146663 /nfs/dbraw/zinc/14/66/63/1059146663.db2.gz CJYCTJYSVACKCA-HNNXBMFYSA-N 1 3 324.921 4.039 20 0 DIADHO CSc1ccccc1[C@@H]1CCCN1[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246890364 1059154686 /nfs/dbraw/zinc/15/46/86/1059154686.db2.gz UBVPQZSZOAXQIL-NXHRZFHOSA-N 1 3 318.530 4.322 20 0 DIADHO CSc1ccccc1[C@H]1CCC[N@@H+]1[C@@H]1CCNC2(CCC2)C1 ZINC001246890227 1059155414 /nfs/dbraw/zinc/15/54/14/1059155414.db2.gz SOQXPUGPXDTBJI-NVXWUHKLSA-N 1 3 316.514 4.220 20 0 DIADHO CSc1ccccc1[C@H]1CCC[N@H+]1[C@@H]1CCNC2(CCC2)C1 ZINC001246890227 1059155420 /nfs/dbraw/zinc/15/54/20/1059155420.db2.gz SOQXPUGPXDTBJI-NVXWUHKLSA-N 1 3 316.514 4.220 20 0 DIADHO CSc1ccccc1[C@H]1CCCN1[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246890227 1059155427 /nfs/dbraw/zinc/15/54/27/1059155427.db2.gz SOQXPUGPXDTBJI-NVXWUHKLSA-N 1 3 316.514 4.220 20 0 DIADHO CSc1ccccc1[C@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246889555 1059155499 /nfs/dbraw/zinc/15/54/99/1059155499.db2.gz QXWPFAPEQMYUNG-KYHPRHEASA-N 1 3 316.514 4.219 20 0 DIADHO CSc1ccccc1[C@H]1CCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246889555 1059155512 /nfs/dbraw/zinc/15/55/12/1059155512.db2.gz QXWPFAPEQMYUNG-KYHPRHEASA-N 1 3 316.514 4.219 20 0 DIADHO CSc1ccccc1[C@H]1CCCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246889555 1059155521 /nfs/dbraw/zinc/15/55/21/1059155521.db2.gz QXWPFAPEQMYUNG-KYHPRHEASA-N 1 3 316.514 4.219 20 0 DIADHO CC[C@@H]1C[C@@H]([N@H+](C)C(C)(C)Cc2ccccc2)C[C@H](CC)N1 ZINC001246892940 1059156161 /nfs/dbraw/zinc/15/61/61/1059156161.db2.gz PKWIMSWOHAIJGO-REPLKXPHSA-N 1 3 302.506 4.249 20 0 DIADHO CC[C@@H]1C[C@@H]([N@@H+](C)C(C)(C)Cc2ccccc2)C[C@H](CC)N1 ZINC001246892940 1059156169 /nfs/dbraw/zinc/15/61/69/1059156169.db2.gz PKWIMSWOHAIJGO-REPLKXPHSA-N 1 3 302.506 4.249 20 0 DIADHO CSc1ccccc1[C@@H]1CCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246889558 1059156483 /nfs/dbraw/zinc/15/64/83/1059156483.db2.gz QXWPFAPEQMYUNG-LHHMISFZSA-N 1 3 316.514 4.219 20 0 DIADHO CSc1ccccc1[C@@H]1CCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246889558 1059156494 /nfs/dbraw/zinc/15/64/94/1059156494.db2.gz QXWPFAPEQMYUNG-LHHMISFZSA-N 1 3 316.514 4.219 20 0 DIADHO CSc1ccccc1[C@@H]1CCCN1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246889558 1059156503 /nfs/dbraw/zinc/15/65/03/1059156503.db2.gz QXWPFAPEQMYUNG-LHHMISFZSA-N 1 3 316.514 4.219 20 0 DIADHO Fc1ccc([C@H]2CCCN2[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001246896376 1059160813 /nfs/dbraw/zinc/16/08/13/1059160813.db2.gz XOIGMZCMAXRNQW-QHAWAJNXSA-N 1 3 324.443 4.456 20 0 DIADHO Fc1cccc([C@H]2CCCN2[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246900506 1059161018 /nfs/dbraw/zinc/16/10/18/1059161018.db2.gz RYWNWEGPHVZHCC-NJDAHSKKSA-N 1 3 324.443 4.456 20 0 DIADHO CCN(Cc1ccc(C)c(C)c1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246905711 1059168814 /nfs/dbraw/zinc/16/88/14/1059168814.db2.gz AZAZIVRUAIHFCM-MOPGFXCFSA-N 1 3 302.506 4.292 20 0 DIADHO CSC(C)(C)C[C@@H](C)[N@H+](Cc1ccccc1)C1CCNCC1 ZINC001246913368 1059176323 /nfs/dbraw/zinc/17/63/23/1059176323.db2.gz INMHNCRBOYQCDC-MRXNPFEDSA-N 1 3 320.546 4.161 20 0 DIADHO CSC(C)(C)C[C@@H](C)[N@@H+](Cc1ccccc1)C1CCNCC1 ZINC001246913368 1059176330 /nfs/dbraw/zinc/17/63/30/1059176330.db2.gz INMHNCRBOYQCDC-MRXNPFEDSA-N 1 3 320.546 4.161 20 0 DIADHO CC1(C)CCC([N@H+](Cc2cccc(F)c2)C2CCNCC2)CC1 ZINC001246935329 1059183697 /nfs/dbraw/zinc/18/36/97/1059183697.db2.gz GRMDHCWXWWCLBC-UHFFFAOYSA-N 1 3 318.480 4.349 20 0 DIADHO CC1(C)CCC([N@@H+](Cc2cccc(F)c2)C2CCNCC2)CC1 ZINC001246935329 1059183711 /nfs/dbraw/zinc/18/37/11/1059183711.db2.gz GRMDHCWXWWCLBC-UHFFFAOYSA-N 1 3 318.480 4.349 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246937859 1059183980 /nfs/dbraw/zinc/18/39/80/1059183980.db2.gz NDZUPLFFUPKWLG-FUHWJXTLSA-N 1 3 318.480 4.001 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246937859 1059183991 /nfs/dbraw/zinc/18/39/91/1059183991.db2.gz NDZUPLFFUPKWLG-FUHWJXTLSA-N 1 3 318.480 4.001 20 0 DIADHO C[C@@H]1CC[C@@H]([N@H+](Cc2cccc(F)c2)C2CCNCC2)C[C@@H]1C ZINC001246936333 1059186090 /nfs/dbraw/zinc/18/60/90/1059186090.db2.gz IZZQHCLQCDLVEG-GQIGUUNPSA-N 1 3 318.480 4.204 20 0 DIADHO C[C@@H]1CC[C@@H]([N@@H+](Cc2cccc(F)c2)C2CCNCC2)C[C@@H]1C ZINC001246936333 1059186104 /nfs/dbraw/zinc/18/61/04/1059186104.db2.gz IZZQHCLQCDLVEG-GQIGUUNPSA-N 1 3 318.480 4.204 20 0 DIADHO Cc1ccc(C[C@H](C)[N@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1 ZINC001246934029 1059186550 /nfs/dbraw/zinc/18/65/50/1059186550.db2.gz NBPZSKRREPPGAM-AZUAARDMSA-N 1 3 314.517 4.170 20 0 DIADHO Cc1ccc(C[C@H](C)[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1 ZINC001246934029 1059186559 /nfs/dbraw/zinc/18/65/59/1059186559.db2.gz NBPZSKRREPPGAM-AZUAARDMSA-N 1 3 314.517 4.170 20 0 DIADHO CC[C@@H](CC(C)C)[N@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001246942089 1059190566 /nfs/dbraw/zinc/19/05/66/1059190566.db2.gz MUYGZIIQTNQYKJ-SFHVURJKSA-N 1 3 306.469 4.204 20 0 DIADHO CC[C@@H](CC(C)C)[N@@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001246942089 1059190576 /nfs/dbraw/zinc/19/05/76/1059190576.db2.gz MUYGZIIQTNQYKJ-SFHVURJKSA-N 1 3 306.469 4.204 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH+]2CCC(C)(c3ccccc3)CC2)CCN1 ZINC001246946930 1059193753 /nfs/dbraw/zinc/19/37/53/1059193753.db2.gz SRQGPEOAEHJUCE-WOJBJXKFSA-N 1 3 314.517 4.351 20 0 DIADHO CCCC[C@@H]1C[C@H](N2CCC(C)(c3ccccc3)CC2)CC[NH2+]1 ZINC001246946930 1059193761 /nfs/dbraw/zinc/19/37/61/1059193761.db2.gz SRQGPEOAEHJUCE-WOJBJXKFSA-N 1 3 314.517 4.351 20 0 DIADHO CC1(C)CC[C@H](N(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246954864 1059198738 /nfs/dbraw/zinc/19/87/38/1059198738.db2.gz JFGZZHGNXPVSJX-INIZCTEOSA-N 1 3 322.443 4.098 20 0 DIADHO CC1(C)CC[C@H]([N@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246954864 1059198748 /nfs/dbraw/zinc/19/87/48/1059198748.db2.gz JFGZZHGNXPVSJX-INIZCTEOSA-N 1 3 322.443 4.098 20 0 DIADHO CC1(C)CC[C@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246954864 1059198756 /nfs/dbraw/zinc/19/87/56/1059198756.db2.gz JFGZZHGNXPVSJX-INIZCTEOSA-N 1 3 322.443 4.098 20 0 DIADHO CCCCC(CCCC)N(Cc1ccccn1)C1CC[NH2+]CC1 ZINC001246953183 1059198810 /nfs/dbraw/zinc/19/88/10/1059198810.db2.gz MLIOXKNKKUUOAM-UHFFFAOYSA-N 1 3 317.521 4.385 20 0 DIADHO CCCCC(CCCC)[N@H+](Cc1ccccn1)C1CCNCC1 ZINC001246953183 1059198819 /nfs/dbraw/zinc/19/88/19/1059198819.db2.gz MLIOXKNKKUUOAM-UHFFFAOYSA-N 1 3 317.521 4.385 20 0 DIADHO CCCCC(CCCC)[N@@H+](Cc1ccccn1)C1CCNCC1 ZINC001246953183 1059198829 /nfs/dbraw/zinc/19/88/29/1059198829.db2.gz MLIOXKNKKUUOAM-UHFFFAOYSA-N 1 3 317.521 4.385 20 0 DIADHO CCCC[C@H](CC(C)C)N(Cc1ccccn1)C1CC[NH2+]CC1 ZINC001246953175 1059200433 /nfs/dbraw/zinc/20/04/33/1059200433.db2.gz MDEKMRGJKTVYMB-HXUWFJFHSA-N 1 3 317.521 4.241 20 0 DIADHO CCCC[C@H](CC(C)C)[N@H+](Cc1ccccn1)C1CCNCC1 ZINC001246953175 1059200444 /nfs/dbraw/zinc/20/04/44/1059200444.db2.gz MDEKMRGJKTVYMB-HXUWFJFHSA-N 1 3 317.521 4.241 20 0 DIADHO CCCC[C@H](CC(C)C)[N@@H+](Cc1ccccn1)C1CCNCC1 ZINC001246953175 1059200458 /nfs/dbraw/zinc/20/04/58/1059200458.db2.gz MDEKMRGJKTVYMB-HXUWFJFHSA-N 1 3 317.521 4.241 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H](N(Cc2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246962548 1059204354 /nfs/dbraw/zinc/20/43/54/1059204354.db2.gz KEHSIPCXVFBFNP-MOPGFXCFSA-N 1 3 300.490 4.208 20 0 DIADHO CC[C@H]1CC[C@@H](N(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246956830 1059206299 /nfs/dbraw/zinc/20/62/99/1059206299.db2.gz WAYMSGBJTBBSAX-WMLDXEAASA-N 1 3 322.443 4.098 20 0 DIADHO CC[C@H]1CC[C@@H]([N@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246956830 1059206319 /nfs/dbraw/zinc/20/63/19/1059206319.db2.gz WAYMSGBJTBBSAX-WMLDXEAASA-N 1 3 322.443 4.098 20 0 DIADHO CC[C@H]1CC[C@@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246956830 1059206337 /nfs/dbraw/zinc/20/63/37/1059206337.db2.gz WAYMSGBJTBBSAX-WMLDXEAASA-N 1 3 322.443 4.098 20 0 DIADHO CCCC[C@@H]1C[C@H](N(Cc2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246956961 1059206489 /nfs/dbraw/zinc/20/64/89/1059206489.db2.gz BKVGGMHNTLGCDC-UYAOXDASSA-N 1 3 300.490 4.352 20 0 DIADHO C([C@@H]1CCCNC1)[N@H+](C1CC1)[C@@H]1CCCC2(CCCCC2)C1 ZINC001246971890 1059217423 /nfs/dbraw/zinc/21/74/23/1059217423.db2.gz ISVVNHHDBLVTLV-IEBWSBKVSA-N 1 3 304.522 4.344 20 0 DIADHO C([C@@H]1CCCNC1)[N@@H+](C1CC1)[C@@H]1CCCC2(CCCCC2)C1 ZINC001246971890 1059217438 /nfs/dbraw/zinc/21/74/38/1059217438.db2.gz ISVVNHHDBLVTLV-IEBWSBKVSA-N 1 3 304.522 4.344 20 0 DIADHO c1ccc(CC[C@H]2CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4)C2)cc1 ZINC001246981450 1059224057 /nfs/dbraw/zinc/22/40/57/1059224057.db2.gz WMEQOJVOLLOKPE-CGXNFDGLSA-N 1 3 312.501 4.004 20 0 DIADHO c1ccc(CC[C@H]2CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4)C2)cc1 ZINC001246981450 1059224083 /nfs/dbraw/zinc/22/40/83/1059224083.db2.gz WMEQOJVOLLOKPE-CGXNFDGLSA-N 1 3 312.501 4.004 20 0 DIADHO CC(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](CCc3ccccc3)C2)CCN1 ZINC001246980674 1059224754 /nfs/dbraw/zinc/22/47/54/1059224754.db2.gz RJICDHTUKNXQGQ-HBMCJLEFSA-N 1 3 314.517 4.108 20 0 DIADHO CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H](CCc3ccccc3)C2)CCN1 ZINC001246980674 1059224773 /nfs/dbraw/zinc/22/47/73/1059224773.db2.gz RJICDHTUKNXQGQ-HBMCJLEFSA-N 1 3 314.517 4.108 20 0 DIADHO CC[C@@H](Cc1ccccc1)N1Cc2ccccc2C12CC[NH2+]CC2 ZINC001247005822 1059231418 /nfs/dbraw/zinc/23/14/18/1059231418.db2.gz BXRPUVDDIIWNLY-FQEVSTJZSA-N 1 3 320.480 4.102 20 0 DIADHO CC1(C)CN(Cc2cccc(C[NH+]3CCCCC3)c2)C1(C)C ZINC001559581470 1059415490 /nfs/dbraw/zinc/41/54/90/1059415490.db2.gz IEQWVRKYXHKEPI-UHFFFAOYSA-N 1 3 300.490 4.293 20 0 DIADHO CCCc1ccc([C@H]([NH2+]CC[C@H]2CCCN2C)C(C)C)cc1 ZINC001559670014 1059495477 /nfs/dbraw/zinc/49/54/77/1059495477.db2.gz XTBBZRCKNPBGCI-WOJBJXKFSA-N 1 3 302.506 4.410 20 0 DIADHO CCCc1ccc([C@H](NCC[C@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC001559670014 1059495488 /nfs/dbraw/zinc/49/54/88/1059495488.db2.gz XTBBZRCKNPBGCI-WOJBJXKFSA-N 1 3 302.506 4.410 20 0 DIADHO CCCc1ccc([C@H](NCC[C@H]2CCC[N@H+]2C)C(C)C)cc1 ZINC001559670014 1059495490 /nfs/dbraw/zinc/49/54/90/1059495490.db2.gz XTBBZRCKNPBGCI-WOJBJXKFSA-N 1 3 302.506 4.410 20 0 DIADHO CC1(C)C[C@H](c2ccccc2)N(CCC[NH+]2CCCCC2)C1 ZINC001559932002 1059745119 /nfs/dbraw/zinc/74/51/19/1059745119.db2.gz UXGHMBDHUGQLMH-LJQANCHMSA-N 1 3 300.490 4.336 20 0 DIADHO CN(C)C1(C)CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC001560071596 1059886917 /nfs/dbraw/zinc/88/69/17/1059886917.db2.gz LOMFJPGPKGCALL-UHFFFAOYSA-N 1 3 310.485 4.189 20 0 DIADHO CC1([NH+]2CCCCC2)CCN(CC2CCC3(CC3)CC2)CC1 ZINC001560126900 1059930260 /nfs/dbraw/zinc/93/02/60/1059930260.db2.gz SIFFNMLZIXZWBB-UHFFFAOYSA-N 1 3 304.522 4.297 20 0 DIADHO CCCCCCc1csc(C[NH+]2CCC3(CN(C)C3)CC2)c1 ZINC001248687300 1059939870 /nfs/dbraw/zinc/93/98/70/1059939870.db2.gz QCEVEHDPWWGPAR-UHFFFAOYSA-N 1 3 320.546 4.399 20 0 DIADHO CC(C)c1ccc(CN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c(C(C)C)c1 ZINC001560186282 1059969734 /nfs/dbraw/zinc/96/97/34/1059969734.db2.gz CSIDMQLHJNLZJG-CTNGQTDRSA-N 1 3 314.517 4.317 20 0 DIADHO CC(C)c1ccc(CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c(C(C)C)c1 ZINC001560186282 1059969758 /nfs/dbraw/zinc/96/97/58/1059969758.db2.gz CSIDMQLHJNLZJG-CTNGQTDRSA-N 1 3 314.517 4.317 20 0 DIADHO CN1CC2(C1)CC[NH+](Cc1ccc(C3CCCCC3)cc1)CC2 ZINC001248887637 1060044036 /nfs/dbraw/zinc/04/40/36/1060044036.db2.gz ZGMNLILRNRAKKG-UHFFFAOYSA-N 1 3 312.501 4.262 20 0 DIADHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001560704055 1060561432 /nfs/dbraw/zinc/56/14/32/1060561432.db2.gz WFPCYNMBBPOMEU-SDZDHKAXSA-N 1 3 312.501 4.065 20 0 DIADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC001560919670 1060781343 /nfs/dbraw/zinc/78/13/43/1060781343.db2.gz KJQKPUSIJHHPMT-UKBAYJJMSA-N 1 3 306.538 4.444 20 0 DIADHO CC(C)(C)[C@@]1(C[NH2+][C@@H]2C=CCC2)CCN(Cc2ccccc2)C1 ZINC001560922331 1060786657 /nfs/dbraw/zinc/78/66/57/1060786657.db2.gz RIJSJARKXUMRIO-TZIWHRDSSA-N 1 3 312.501 4.233 20 0 DIADHO CC(C)(C)[C@@]1(CN[C@@H]2C=CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001560922331 1060786668 /nfs/dbraw/zinc/78/66/68/1060786668.db2.gz RIJSJARKXUMRIO-TZIWHRDSSA-N 1 3 312.501 4.233 20 0 DIADHO CC(C)(C)[C@@]1(CN[C@@H]2C=CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001560922331 1060786672 /nfs/dbraw/zinc/78/66/72/1060786672.db2.gz RIJSJARKXUMRIO-TZIWHRDSSA-N 1 3 312.501 4.233 20 0 DIADHO CC(C)(C)[C@]1(C[NH2+][C@@H]2C=CCC2)CCN(Cc2ccccc2)C1 ZINC001560922328 1060787257 /nfs/dbraw/zinc/78/72/57/1060787257.db2.gz RIJSJARKXUMRIO-CTNGQTDRSA-N 1 3 312.501 4.233 20 0 DIADHO CC(C)(C)[C@]1(CN[C@@H]2C=CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001560922328 1060787287 /nfs/dbraw/zinc/78/72/87/1060787287.db2.gz RIJSJARKXUMRIO-CTNGQTDRSA-N 1 3 312.501 4.233 20 0 DIADHO CC(C)(C)[C@]1(CN[C@@H]2C=CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001560922328 1060787302 /nfs/dbraw/zinc/78/73/02/1060787302.db2.gz RIJSJARKXUMRIO-CTNGQTDRSA-N 1 3 312.501 4.233 20 0 DIADHO CN1CCCC[C@H](C[NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC001560932792 1060795554 /nfs/dbraw/zinc/79/55/54/1060795554.db2.gz TYZOSKZVTCSQCH-QHGAOEGBSA-N 1 3 300.490 4.034 20 0 DIADHO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C[C@@H](C)c1cccc(Cl)c1 ZINC001560948290 1060813534 /nfs/dbraw/zinc/81/35/34/1060813534.db2.gz SSHSTDNUBPMAMZ-GPMSIDNRSA-N 1 3 322.924 4.496 20 0 DIADHO C[C@H](CN(C)C)[C@H]1CCCC[N@@H+]1C[C@@H](C)c1cccc(Cl)c1 ZINC001560948290 1060813545 /nfs/dbraw/zinc/81/35/45/1060813545.db2.gz SSHSTDNUBPMAMZ-GPMSIDNRSA-N 1 3 322.924 4.496 20 0 DIADHO C[C@H](CN(C)C)[C@H]1CCCC[N@H+]1C[C@@H](C)c1cccc(Cl)c1 ZINC001560948290 1060813559 /nfs/dbraw/zinc/81/35/59/1060813559.db2.gz SSHSTDNUBPMAMZ-GPMSIDNRSA-N 1 3 322.924 4.496 20 0 DIADHO CC(C)CCN1CCC([NH2+]CCC2CCC(F)(F)CC2)CC1 ZINC001561043399 1060896684 /nfs/dbraw/zinc/89/66/84/1060896684.db2.gz XEQFLEOEVCUBOD-UHFFFAOYSA-N 1 3 316.480 4.302 20 0 DIADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC001561055462 1060905001 /nfs/dbraw/zinc/90/50/01/1060905001.db2.gz ZLVZOMKTBRNVDH-ROUUACIJSA-N 1 3 304.522 4.453 20 0 DIADHO CC(C)c1ccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c(C(C)C)c1 ZINC001473507776 1061200911 /nfs/dbraw/zinc/20/09/11/1061200911.db2.gz KHBDSOXQYYIUSE-NRFANRHFSA-N 1 3 314.517 4.461 20 0 DIADHO CC(C)c1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c(C(C)C)c1 ZINC001473507776 1061200927 /nfs/dbraw/zinc/20/09/27/1061200927.db2.gz KHBDSOXQYYIUSE-NRFANRHFSA-N 1 3 314.517 4.461 20 0 DIADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC(C)(C)C(C)(F)F)CC1 ZINC001462510424 1061219233 /nfs/dbraw/zinc/21/92/33/1061219233.db2.gz HCJDSZKWAQJRKA-GOEBONIOSA-N 1 3 316.480 4.301 20 0 DIADHO COc1ccc([C@H](C)[NH2+]C2CCN(CCC(C)C)CC2)cc1C ZINC001462568928 1061269201 /nfs/dbraw/zinc/26/92/01/1061269201.db2.gz XUNIMBSXOJKRHT-KRWDZBQOSA-N 1 3 318.505 4.165 20 0 DIADHO C[C@@H]1CN(CCCC[NH2+]C2CC(C)(C)CC(C)(C)C2)C[C@H](C)O1 ZINC001474015927 1061557365 /nfs/dbraw/zinc/55/73/65/1061557365.db2.gz HNZPNMFSDXWHDX-CALCHBBNSA-N 1 3 324.553 4.070 20 0 DIADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC001253094561 1061797718 /nfs/dbraw/zinc/79/77/18/1061797718.db2.gz FFYSAOGFGTVYCW-MSOLQXFVSA-N 1 3 323.484 4.131 20 0 DIADHO CC[N@@H+]1CCC[C@@H](CN[C@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC001253094561 1061797739 /nfs/dbraw/zinc/79/77/39/1061797739.db2.gz FFYSAOGFGTVYCW-MSOLQXFVSA-N 1 3 323.484 4.131 20 0 DIADHO CC[N@H+]1CCC[C@@H](CN[C@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC001253094561 1061797759 /nfs/dbraw/zinc/79/77/59/1061797759.db2.gz FFYSAOGFGTVYCW-MSOLQXFVSA-N 1 3 323.484 4.131 20 0 DIADHO CC(C)CCN1CCC([NH2+][C@@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC001474393300 1062045234 /nfs/dbraw/zinc/04/52/34/1062045234.db2.gz NHJSFWFJXWXDCB-UWJYYQICSA-N 1 3 314.517 4.410 20 0 DIADHO CC(C)CC[NH+]1CCC(N[C@@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC001474393300 1062045257 /nfs/dbraw/zinc/04/52/57/1062045257.db2.gz NHJSFWFJXWXDCB-UWJYYQICSA-N 1 3 314.517 4.410 20 0 DIADHO C[C@@H](CC[NH2+]C1CC(c2ccc(Cl)cc2)C1)N1CCCCC1 ZINC001474436979 1062113852 /nfs/dbraw/zinc/11/38/52/1062113852.db2.gz QUDPXWLQTXLFAR-DMKPSLHHSA-N 1 3 320.908 4.440 20 0 DIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H](C3CC3)C3CCC3)CC2)C1 ZINC001474564710 1062268712 /nfs/dbraw/zinc/26/87/12/1062268712.db2.gz MMUHAPYDSFLKHV-XPGWFJOJSA-N 1 3 304.522 4.198 20 0 DIADHO c1ccc(CN2CCCC[C@@H](C[NH2+][C@@H]3C[C@@H]4CCC[C@H]34)C2)cc1 ZINC001474565023 1062271932 /nfs/dbraw/zinc/27/19/32/1062271932.db2.gz PHTJEFQBNCLJPU-XSDIEEQYSA-N 1 3 312.501 4.067 20 0 DIADHO C[N@@H+]1CCC[C@H]1CCN[C@@H](Cc1ccccc1)c1ccccc1 ZINC001459751357 1062363649 /nfs/dbraw/zinc/36/36/49/1062363649.db2.gz ZXAONUGSAUCGRY-SFTDATJTSA-N 1 3 308.469 4.044 20 0 DIADHO C[N@H+]1CCC[C@H]1CCN[C@@H](Cc1ccccc1)c1ccccc1 ZINC001459751357 1062363664 /nfs/dbraw/zinc/36/36/64/1062363664.db2.gz ZXAONUGSAUCGRY-SFTDATJTSA-N 1 3 308.469 4.044 20 0 DIADHO CN1CCC[C@H]1CC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC001459751357 1062363684 /nfs/dbraw/zinc/36/36/84/1062363684.db2.gz ZXAONUGSAUCGRY-SFTDATJTSA-N 1 3 308.469 4.044 20 0 DIADHO CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC001474644811 1062370788 /nfs/dbraw/zinc/37/07/88/1062370788.db2.gz CAHVDHJYFCKHGK-LEWJYISDSA-N 1 3 314.517 4.109 20 0 DIADHO C[C@H](CC[NH2+][C@H](CCc1ccccc1)Cc1ccccc1)N(C)C ZINC001474649064 1062374853 /nfs/dbraw/zinc/37/48/53/1062374853.db2.gz YIYNDUFGOKOUKL-DENIHFKCSA-N 1 3 324.512 4.160 20 0 DIADHO CC1(C)CCC([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)CC1 ZINC001255302688 1062385257 /nfs/dbraw/zinc/38/52/57/1062385257.db2.gz VPTPWCFGKFUDHV-QGZVFWFLSA-N 1 3 304.522 4.366 20 0 DIADHO Cc1ccc(CN[C@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1C ZINC001255380084 1062424011 /nfs/dbraw/zinc/42/40/11/1062424011.db2.gz HJBBFXLXEJGBJG-QFIPXVFZSA-N 1 3 322.496 4.448 20 0 DIADHO Cc1ccc(CN[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1C ZINC001255380084 1062424019 /nfs/dbraw/zinc/42/40/19/1062424019.db2.gz HJBBFXLXEJGBJG-QFIPXVFZSA-N 1 3 322.496 4.448 20 0 DIADHO Cc1cccc(CN(C)[C@H]2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC001255397821 1062431732 /nfs/dbraw/zinc/43/17/32/1062431732.db2.gz HMRVSQCWIQYNCJ-QFIPXVFZSA-N 1 3 322.496 4.482 20 0 DIADHO Cc1cccc(CN(C)[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255397821 1062431740 /nfs/dbraw/zinc/43/17/40/1062431740.db2.gz HMRVSQCWIQYNCJ-QFIPXVFZSA-N 1 3 322.496 4.482 20 0 DIADHO Cc1cc(Cl)ccc1CN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC001459879701 1062469990 /nfs/dbraw/zinc/46/99/90/1062469990.db2.gz UNYJJAYZYRIJJT-UHFFFAOYSA-N 1 3 316.876 4.342 20 0 DIADHO CCCCc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001255665946 1062504654 /nfs/dbraw/zinc/50/46/54/1062504654.db2.gz NKQRXDBUCMCYQV-IHWFROFDSA-N 1 3 300.490 4.134 20 0 DIADHO CCCCc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001255665946 1062504676 /nfs/dbraw/zinc/50/46/76/1062504676.db2.gz NKQRXDBUCMCYQV-IHWFROFDSA-N 1 3 300.490 4.134 20 0 DIADHO Cc1ccc(C2(C[NH2+]C3CCCC(C(F)(F)F)C3)CC2)nc1 ZINC001255698777 1062526979 /nfs/dbraw/zinc/52/69/79/1062526979.db2.gz GSTXEGZCNDKZQL-UONOGXRCSA-N 1 3 312.379 4.132 20 0 DIADHO CCN(CC)CCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC001459981322 1062543668 /nfs/dbraw/zinc/54/36/68/1062543668.db2.gz YDVZEDKAMIIOQB-NJDAHSKKSA-N 1 3 314.517 4.377 20 0 DIADHO CCN(CC)CCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC001459981322 1062543691 /nfs/dbraw/zinc/54/36/91/1062543691.db2.gz YDVZEDKAMIIOQB-NJDAHSKKSA-N 1 3 314.517 4.377 20 0 DIADHO CC(C)CN1CCC([NH2+][C@H](C)CSc2ccc(F)cc2)CC1 ZINC001255735697 1062557896 /nfs/dbraw/zinc/55/78/96/1062557896.db2.gz LSAHUNYHGGBASC-OAHLLOKOSA-N 1 3 324.509 4.016 20 0 DIADHO CC(C)C[NH+]1CCC(N[C@H](C)CSc2ccc(F)cc2)CC1 ZINC001255735697 1062557916 /nfs/dbraw/zinc/55/79/16/1062557916.db2.gz LSAHUNYHGGBASC-OAHLLOKOSA-N 1 3 324.509 4.016 20 0 DIADHO CCc1ccc2ccccc2c1C[N@H+](C)CCCN1CCCC1 ZINC001460016014 1062571831 /nfs/dbraw/zinc/57/18/31/1062571831.db2.gz JGRKLVXCSDOWAY-UHFFFAOYSA-N 1 3 310.485 4.320 20 0 DIADHO CCc1ccc2ccccc2c1C[N@@H+](C)CCCN1CCCC1 ZINC001460016014 1062571851 /nfs/dbraw/zinc/57/18/51/1062571851.db2.gz JGRKLVXCSDOWAY-UHFFFAOYSA-N 1 3 310.485 4.320 20 0 DIADHO C[C@H](Cc1ccccc1F)[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001255855345 1062630716 /nfs/dbraw/zinc/63/07/16/1062630716.db2.gz WOHBLGUZWDRVAI-NEWSRXKRSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@H](Cc1ccccc1F)[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001255855345 1062630726 /nfs/dbraw/zinc/63/07/26/1062630726.db2.gz WOHBLGUZWDRVAI-NEWSRXKRSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@H](Cc1ccccc1F)N1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001255855345 1062630737 /nfs/dbraw/zinc/63/07/37/1062630737.db2.gz WOHBLGUZWDRVAI-NEWSRXKRSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@H](Cc1ccccc1F)N1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001255855345 1062630750 /nfs/dbraw/zinc/63/07/50/1062630750.db2.gz WOHBLGUZWDRVAI-NEWSRXKRSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@H](Cc1ccc(F)cc1)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001255855453 1062634417 /nfs/dbraw/zinc/63/44/17/1062634417.db2.gz BEYFQFNMNPNWJP-OXQOHEQNSA-N 1 3 314.448 4.039 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001255855451 1062635613 /nfs/dbraw/zinc/63/56/13/1062635613.db2.gz BEYFQFNMNPNWJP-JXFKEZNVSA-N 1 3 314.448 4.039 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001255878195 1062650855 /nfs/dbraw/zinc/65/08/55/1062650855.db2.gz MTAKZYMMEIQGEI-FFZOFVMBSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001255878195 1062650874 /nfs/dbraw/zinc/65/08/74/1062650874.db2.gz MTAKZYMMEIQGEI-FFZOFVMBSA-N 1 3 318.480 4.096 20 0 DIADHO CCN(CC)CC[C@H](C)[NH2+]C1(CC2CC2)CCC(F)(F)CC1 ZINC001255952629 1062669733 /nfs/dbraw/zinc/66/97/33/1062669733.db2.gz GCLKYABTYGWHSK-HNNXBMFYSA-N 1 3 316.480 4.445 20 0 DIADHO CC(C)CC[C@H](C)N1CCC([NH3+])(c2ccc(Cl)cc2)CC1 ZINC001256359909 1062784009 /nfs/dbraw/zinc/78/40/09/1062784009.db2.gz AIFAHBJQEAWLLW-HNNXBMFYSA-N 1 3 308.897 4.415 20 0 DIADHO C=Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256527178 1062846145 /nfs/dbraw/zinc/84/61/45/1062846145.db2.gz QQOREEMCGAWGGK-PGRDOPGGSA-N 1 3 320.480 4.472 20 0 DIADHO C=Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256527178 1062846172 /nfs/dbraw/zinc/84/61/72/1062846172.db2.gz QQOREEMCGAWGGK-PGRDOPGGSA-N 1 3 320.480 4.472 20 0 DIADHO Cc1cccc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001256538668 1062861321 /nfs/dbraw/zinc/86/13/21/1062861321.db2.gz UZQKEQNVACIMAO-SIKLNZKXSA-N 1 3 322.496 4.480 20 0 DIADHO Cc1cccc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001256538668 1062861354 /nfs/dbraw/zinc/86/13/54/1062861354.db2.gz UZQKEQNVACIMAO-SIKLNZKXSA-N 1 3 322.496 4.480 20 0 DIADHO CC(C)(C)[NH+]1CCC(N[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC001256561856 1062886645 /nfs/dbraw/zinc/88/66/45/1062886645.db2.gz IDBJUCDKPFQTAV-DLBZAZTESA-N 1 3 306.881 4.048 20 0 DIADHO Cc1ccc(CC2(C[NH2+]C3CCN(C(C)(C)C)CC3)CC2)cc1 ZINC001256567688 1062890935 /nfs/dbraw/zinc/89/09/35/1062890935.db2.gz XEYKSDPKDWPCNY-UHFFFAOYSA-N 1 3 314.517 4.170 20 0 DIADHO CC(C)(C)[NH+]1CCC(N2CCCC[C@H]2c2ccccc2)CC1 ZINC001256569017 1062894627 /nfs/dbraw/zinc/89/46/27/1062894627.db2.gz NVWKKVCGXANANQ-IBGZPJMESA-N 1 3 300.490 4.477 20 0 DIADHO C[C@@H](C[NH2+]CCCN1CCCC1)Cc1ccc(C(C)(C)C)cc1 ZINC001461005698 1063181304 /nfs/dbraw/zinc/18/13/04/1063181304.db2.gz PFVRNTLYOASGJT-GOSISDBHSA-N 1 3 316.533 4.238 20 0 DIADHO CC[NH+](CC)Cc1cccc(CNCc2csc(C)c2C)c1 ZINC001461053981 1063221550 /nfs/dbraw/zinc/22/15/50/1063221550.db2.gz PXEUMKUAEPURDY-UHFFFAOYSA-N 1 3 316.514 4.497 20 0 DIADHO CCN1CC[C@@H](C[NH2+]Cc2ccccc2-c2ccc(C)cc2C)C1 ZINC001461068855 1063230759 /nfs/dbraw/zinc/23/07/59/1063230759.db2.gz NBTUSIGWECHGCI-IBGZPJMESA-N 1 3 322.496 4.402 20 0 DIADHO CC[N@@H+]1CC[C@@H](CNCc2ccccc2-c2ccc(C)cc2C)C1 ZINC001461068855 1063230786 /nfs/dbraw/zinc/23/07/86/1063230786.db2.gz NBTUSIGWECHGCI-IBGZPJMESA-N 1 3 322.496 4.402 20 0 DIADHO CC[N@H+]1CC[C@@H](CNCc2ccccc2-c2ccc(C)cc2C)C1 ZINC001461068855 1063230808 /nfs/dbraw/zinc/23/08/08/1063230808.db2.gz NBTUSIGWECHGCI-IBGZPJMESA-N 1 3 322.496 4.402 20 0 DIADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001461126477 1063276128 /nfs/dbraw/zinc/27/61/28/1063276128.db2.gz ARCWCMSZVQRKRT-APWZRJJASA-N 1 3 306.538 4.445 20 0 DIADHO CCC[N@H+](CCCN1CCCCC1)[C@@H](C)c1ccccc1OC ZINC001473126018 1063429136 /nfs/dbraw/zinc/42/91/36/1063429136.db2.gz AMEYCBUGXBWMQR-SFHVURJKSA-N 1 3 318.505 4.344 20 0 DIADHO CCC[N@@H+](CCCN1CCCCC1)[C@@H](C)c1ccccc1OC ZINC001473126018 1063429146 /nfs/dbraw/zinc/42/91/46/1063429146.db2.gz AMEYCBUGXBWMQR-SFHVURJKSA-N 1 3 318.505 4.344 20 0 DIADHO CC(C)CN1CCC([NH2+][C@@H](CC2CC2)c2cccc(F)c2)CC1 ZINC001258007715 1063461331 /nfs/dbraw/zinc/46/13/31/1063461331.db2.gz OYSZYXURWPRXMR-FQEVSTJZSA-N 1 3 318.480 4.377 20 0 DIADHO Cc1ccc(CC2(C[NH2+]C3CCN(CC(C)C)CC3)CC2)cc1 ZINC001258008054 1063462133 /nfs/dbraw/zinc/46/21/33/1063462133.db2.gz BUJAWSULHWZUPF-UHFFFAOYSA-N 1 3 314.517 4.028 20 0 DIADHO CC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccc(F)c(F)c1 ZINC001258008654 1063462568 /nfs/dbraw/zinc/46/25/68/1063462568.db2.gz BIXBPNGZSXVLNK-GOSISDBHSA-N 1 3 310.432 4.126 20 0 DIADHO CC(C)CN1CCC([NH+]2CCC(c3cccs3)CC2)CC1 ZINC001258014482 1063465939 /nfs/dbraw/zinc/46/59/39/1063465939.db2.gz LTOLVTYTJMMMAE-UHFFFAOYSA-N 1 3 306.519 4.048 20 0 DIADHO CC(C)CN1CCC([NH+]2CCC(c3ccccc3F)CC2)CC1 ZINC001258014837 1063466906 /nfs/dbraw/zinc/46/69/06/1063466906.db2.gz UXPPUNQEAXOFIN-UHFFFAOYSA-N 1 3 318.480 4.126 20 0 DIADHO CCc1ccc2ccccc2c1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001473178063 1063486757 /nfs/dbraw/zinc/48/67/57/1063486757.db2.gz VNABJVHKVXKWMW-SFHVURJKSA-N 1 3 322.496 4.320 20 0 DIADHO CCc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC001473178063 1063486769 /nfs/dbraw/zinc/48/67/69/1063486769.db2.gz VNABJVHKVXKWMW-SFHVURJKSA-N 1 3 322.496 4.320 20 0 DIADHO CCc1ccc2ccccc2c1C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC001473178063 1063486786 /nfs/dbraw/zinc/48/67/86/1063486786.db2.gz VNABJVHKVXKWMW-SFHVURJKSA-N 1 3 322.496 4.320 20 0 DIADHO CC(C)=CCC[C@H](C)N1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001258085443 1063507799 /nfs/dbraw/zinc/50/77/99/1063507799.db2.gz KCOOEWDVHRSNPJ-INIZCTEOSA-N 1 3 304.453 4.210 20 0 DIADHO C[C@H]1CC([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)C[C@H](C)C1 ZINC001258162683 1063538295 /nfs/dbraw/zinc/53/82/95/1063538295.db2.gz KLGGPXFRELXCEX-KURKYZTESA-N 1 3 304.522 4.221 20 0 DIADHO CC1(C)CCC[C@@H]([NH+]2CCC(N)(Cc3cccc(F)c3)CC2)C1 ZINC001258281712 1063584284 /nfs/dbraw/zinc/58/42/84/1063584284.db2.gz OVPPBLZNUFJTFK-GOSISDBHSA-N 1 3 318.480 4.130 20 0 DIADHO CCC(CC)N1CCC([NH2+][C@@H](C)CC(C)(C)SC)CC1 ZINC001258328462 1063612893 /nfs/dbraw/zinc/61/28/93/1063612893.db2.gz VYYYCNCTMQUIRK-AWEZNQCLSA-N 1 3 300.556 4.149 20 0 DIADHO CC(C)[N@H+](CCCN)[C@@H](C)CC(C)(C)SCc1ccco1 ZINC001258295646 1063592447 /nfs/dbraw/zinc/59/24/47/1063592447.db2.gz PMOQCSFTVFZEAR-HNNXBMFYSA-N 1 3 312.523 4.129 20 0 DIADHO CC(C)[N@@H+](CCCN)[C@@H](C)CC(C)(C)SCc1ccco1 ZINC001258295646 1063592459 /nfs/dbraw/zinc/59/24/59/1063592459.db2.gz PMOQCSFTVFZEAR-HNNXBMFYSA-N 1 3 312.523 4.129 20 0 DIADHO CCCCC(CCCC)N1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001258387726 1063630766 /nfs/dbraw/zinc/63/07/66/1063630766.db2.gz VYXJDVMYMNYOJY-UHFFFAOYSA-N 1 3 324.553 4.311 20 0 DIADHO CCCCC(CCCC)N1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001258387726 1063630774 /nfs/dbraw/zinc/63/07/74/1063630774.db2.gz VYXJDVMYMNYOJY-UHFFFAOYSA-N 1 3 324.553 4.311 20 0 DIADHO CCCCC[C@H](CC)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001258433833 1063651702 /nfs/dbraw/zinc/65/17/02/1063651702.db2.gz ILRRQXAPXKKQRX-IBGZPJMESA-N 1 3 317.521 4.242 20 0 DIADHO C[C@H](CC1CC1)[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001258453927 1063661502 /nfs/dbraw/zinc/66/15/02/1063661502.db2.gz GZVVXPYFQMDSAZ-OAHLLOKOSA-N 1 3 320.908 4.330 20 0 DIADHO CC1(C)CC[C@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001258606786 1063708785 /nfs/dbraw/zinc/70/87/85/1063708785.db2.gz CDLWHVVEJWSOHQ-IBGZPJMESA-N 1 3 312.501 4.163 20 0 DIADHO CCC[C@H](Cc1ccccc1)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001258653487 1063726003 /nfs/dbraw/zinc/72/60/03/1063726003.db2.gz SUDHJVNVEGRVCA-HXUWFJFHSA-N 1 3 314.517 4.381 20 0 DIADHO C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCCN1CCCC[C@H]1C ZINC001258738399 1063787268 /nfs/dbraw/zinc/78/72/68/1063787268.db2.gz RGCNVMOIKCQHJF-JKSUJKDBSA-N 1 3 308.897 4.125 20 0 DIADHO CCCC[C@H](CCC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001258756262 1063802545 /nfs/dbraw/zinc/80/25/45/1063802545.db2.gz MEYFOMZAPYLABE-FQEVSTJZSA-N 1 3 317.521 4.242 20 0 DIADHO CCCC[C@H](CCC)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001258756739 1063802585 /nfs/dbraw/zinc/80/25/85/1063802585.db2.gz UFCRCRRHAJFYMQ-IBGZPJMESA-N 1 3 317.521 4.242 20 0 DIADHO CCCC[C@@H](CCC)[NH+]1CCC(N)(Cc2ccccc2)CC1 ZINC001258758364 1063804564 /nfs/dbraw/zinc/80/45/64/1063804564.db2.gz DCPNVKMIZYAGHX-LJQANCHMSA-N 1 3 302.506 4.381 20 0 DIADHO C[C@H](c1nccc2ccccc21)[N@H+](C)CC[C@H]1CCCCN1C ZINC001461921455 1063805912 /nfs/dbraw/zinc/80/59/12/1063805912.db2.gz OTHUZALDSIHHEE-SJLPKXTDSA-N 1 3 311.473 4.102 20 0 DIADHO C[C@H](c1nccc2ccccc21)[N@@H+](C)CC[C@H]1CCCCN1C ZINC001461921455 1063805932 /nfs/dbraw/zinc/80/59/32/1063805932.db2.gz OTHUZALDSIHHEE-SJLPKXTDSA-N 1 3 311.473 4.102 20 0 DIADHO CCC[NH+]1CCC(N(Cc2ccccn2)C2CCCCC2)CC1 ZINC001258776038 1063814897 /nfs/dbraw/zinc/81/48/97/1063814897.db2.gz QCYZCYQPRTZIBW-UHFFFAOYSA-N 1 3 315.505 4.091 20 0 DIADHO CCC[NH+]1CCC(N2CCC[C@H]2c2ccccc2SC)CC1 ZINC001258776132 1063816482 /nfs/dbraw/zinc/81/64/82/1063816482.db2.gz UTTFGXZJCMWGNH-SFHVURJKSA-N 1 3 318.530 4.420 20 0 DIADHO CC[C@H](C[C@@H](C)CC)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001258784685 1063822246 /nfs/dbraw/zinc/82/22/46/1063822246.db2.gz SESADLUXPHUZHQ-PKOBYXMFSA-N 1 3 317.521 4.098 20 0 DIADHO CC[C@H](C)C[C@H](CC)[NH+]1CCC(N)(Cc2cccc(F)c2)CC1 ZINC001258785630 1063823671 /nfs/dbraw/zinc/82/36/71/1063823671.db2.gz IBTBCJMIGQVFER-LPHOPBHVSA-N 1 3 320.496 4.376 20 0 DIADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N)(Cc3cccc(Cl)c3)CC2)C1 ZINC001258811600 1063840770 /nfs/dbraw/zinc/84/07/70/1063840770.db2.gz BZWGRMYVALZHGE-QAPCUYQASA-N 1 3 320.908 4.255 20 0 DIADHO C[C@H]1CCC[C@H]([NH+]2CCC(N)(Cc3ccc(Cl)cc3)CC2)C1 ZINC001258811855 1063841410 /nfs/dbraw/zinc/84/14/10/1063841410.db2.gz GJVMCWCBTIXUMQ-YJBOKZPZSA-N 1 3 320.908 4.255 20 0 DIADHO C[C@H](CC[NH2+][C@H]1CCc2cccc(Cl)c2C1)N1CCCCC1 ZINC001462081793 1063920098 /nfs/dbraw/zinc/92/00/98/1063920098.db2.gz GZXRVRXRFUXYTR-WBVHZDCISA-N 1 3 320.908 4.051 20 0 DIADHO CC1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000381776087 1063991876 /nfs/dbraw/zinc/99/18/76/1063991876.db2.gz CYABKXIPQZSVFI-DJXZGCLFSA-N 1 3 312.501 4.065 20 0 DIADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000381810946 1063994296 /nfs/dbraw/zinc/99/42/96/1063994296.db2.gz ZSOFQPQFINGWNB-OBJCFNGXSA-N 1 3 312.501 4.065 20 0 DIADHO c1ccc(C2CCC([N@@H+]3CCC[C@]4(CCCNC4)C3)CC2)cc1 ZINC000391011231 1064178034 /nfs/dbraw/zinc/17/80/34/1064178034.db2.gz XAUUPVCJHGTKBW-CBNMVNINSA-N 1 3 312.501 4.178 20 0 DIADHO c1ccc(C2CCC([N@H+]3CCC[C@]4(CCCNC4)C3)CC2)cc1 ZINC000391011231 1064178039 /nfs/dbraw/zinc/17/80/39/1064178039.db2.gz XAUUPVCJHGTKBW-CBNMVNINSA-N 1 3 312.501 4.178 20 0 DIADHO C[N@@H+]1CCC[C@H]1CCN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC001307628307 1065526102 /nfs/dbraw/zinc/52/61/02/1065526102.db2.gz HERCSQBENOXXCE-ROUUACIJSA-N 1 3 306.881 4.255 20 0 DIADHO C[N@H+]1CCC[C@H]1CCN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC001307628307 1065526115 /nfs/dbraw/zinc/52/61/15/1065526115.db2.gz HERCSQBENOXXCE-ROUUACIJSA-N 1 3 306.881 4.255 20 0 DIADHO CN1CCC[C@H]1CC[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC001307628307 1065526127 /nfs/dbraw/zinc/52/61/27/1065526127.db2.gz HERCSQBENOXXCE-ROUUACIJSA-N 1 3 306.881 4.255 20 0 DIADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CCCCC1 ZINC001307670006 1065553267 /nfs/dbraw/zinc/55/32/67/1065553267.db2.gz OXQMRPXTUVULGV-ZIFCJYIRSA-N 1 3 306.538 4.445 20 0 DIADHO C[C@@H](c1ccccc1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001307764743 1065612142 /nfs/dbraw/zinc/61/21/42/1065612142.db2.gz ZGUGKUFYRNINAG-UGKGYDQZSA-N 1 3 320.480 4.346 20 0 DIADHO C[C@@H](c1ccccc1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001307764743 1065612150 /nfs/dbraw/zinc/61/21/50/1065612150.db2.gz ZGUGKUFYRNINAG-UGKGYDQZSA-N 1 3 320.480 4.346 20 0 DIADHO Cc1nc(C2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)[nH]c1C ZINC001308083037 1065754668 /nfs/dbraw/zinc/75/46/68/1065754668.db2.gz PKSCQKAFYGUVHB-UHFFFAOYSA-N 1 3 321.827 4.199 20 0 DIADHO Cc1scc(CNCc2ccc(C[NH+]3CCCC3)cc2)c1C ZINC001308187160 1065797929 /nfs/dbraw/zinc/79/79/29/1065797929.db2.gz VDGMHBMGJNUTDP-UHFFFAOYSA-N 1 3 314.498 4.251 20 0 DIADHO CN1CC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)cc2)CC1(C)C ZINC001308238623 1065845847 /nfs/dbraw/zinc/84/58/47/1065845847.db2.gz WCIUQFFVQHNCHF-SFHVURJKSA-N 1 3 324.468 4.441 20 0 DIADHO CCc1ccccc1CN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308280841 1065881031 /nfs/dbraw/zinc/88/10/31/1065881031.db2.gz YHXQBVPPZGVSOU-NRFANRHFSA-N 1 3 322.496 4.392 20 0 DIADHO CCc1ccccc1CN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308280841 1065881048 /nfs/dbraw/zinc/88/10/48/1065881048.db2.gz YHXQBVPPZGVSOU-NRFANRHFSA-N 1 3 322.496 4.392 20 0 DIADHO C[C@]1(CN2CCC[C@@H]([NH+]3CCCC3)CC2)C[C@@H]1c1ccccc1 ZINC001308612029 1066117676 /nfs/dbraw/zinc/11/76/76/1066117676.db2.gz VHVFVNRRQONWEA-NJDAHSKKSA-N 1 3 312.501 4.131 20 0 DIADHO C[C@@H](CC[NH2+]C1CC(Sc2ccccc2)C1)N1CCCCC1 ZINC001308683007 1066153979 /nfs/dbraw/zinc/15/39/79/1066153979.db2.gz KDLMCXFPTBCAHX-MUYFXNHWSA-N 1 3 318.530 4.164 20 0 DIADHO C[C@H](CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1)N1CCCCC1 ZINC001308682821 1066154018 /nfs/dbraw/zinc/15/40/18/1066154018.db2.gz FMZVWDOHYCGAJH-HOJAQTOUSA-N 1 3 300.490 4.177 20 0 DIADHO C[C@@H]([NH2+]C1CCC2(CCC2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC001308682049 1066154060 /nfs/dbraw/zinc/15/40/60/1066154060.db2.gz KCQDSAZLUSFWTQ-SJORKVTESA-N 1 3 304.522 4.342 20 0 DIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3C[C@H]3CC(C)(C)C)CC2)C1 ZINC001308853188 1066334841 /nfs/dbraw/zinc/33/48/41/1066334841.db2.gz YTNAVOLSJUUZHJ-UKBAYJJMSA-N 1 3 306.538 4.444 20 0 DIADHO CC[C@@H](CC1CCCCC1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC001308882893 1066363524 /nfs/dbraw/zinc/36/35/24/1066363524.db2.gz BYPGSOJFPFLPPS-PMACEKPBSA-N 1 3 306.538 4.447 20 0 DIADHO C[NH+](C)CC[C@H](N[C@H]1CCCC12CCCCC2)c1cccnc1 ZINC001308947526 1066413829 /nfs/dbraw/zinc/41/38/29/1066413829.db2.gz GBGFVPQXYWKRFI-OALUTQOASA-N 1 3 315.505 4.167 20 0 DIADHO CCN(CC)CC[C@H]([NH2+][C@H]1CCC12CCC2)c1ccccc1 ZINC001308981939 1066431412 /nfs/dbraw/zinc/43/14/12/1066431412.db2.gz PGYHPSZANUUEKZ-OALUTQOASA-N 1 3 300.490 4.382 20 0 DIADHO CCN(CC)CC[C@@H]([NH2+][C@@H]1CCC12CCC2)c1ccccc1 ZINC001308981941 1066431724 /nfs/dbraw/zinc/43/17/24/1066431724.db2.gz PGYHPSZANUUEKZ-RTBURBONSA-N 1 3 300.490 4.382 20 0 DIADHO CC(C)O[C@@H](C[N@@H+]1CCC(C)(C)NC(C)(C)C1)c1ccccc1 ZINC001308985197 1066433456 /nfs/dbraw/zinc/43/34/56/1066433456.db2.gz XLVZKITUFXSFJH-SFHVURJKSA-N 1 3 318.505 4.005 20 0 DIADHO CC(C)O[C@@H](C[N@H+]1CCC(C)(C)NC(C)(C)C1)c1ccccc1 ZINC001308985197 1066433462 /nfs/dbraw/zinc/43/34/62/1066433462.db2.gz XLVZKITUFXSFJH-SFHVURJKSA-N 1 3 318.505 4.005 20 0 DIADHO CN(C)Cc1ccc(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000525858026 334961044 /nfs/dbraw/zinc/96/10/44/334961044.db2.gz LZETYDCNUVHCJN-SFTDATJTSA-N 1 3 308.469 4.174 20 0 DIADHO CC(C)[NH+]1CCC(N[C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000288889133 131343659 /nfs/dbraw/zinc/34/36/59/131343659.db2.gz AUAJCMMFIHUEDN-IBGZPJMESA-N 1 3 311.473 4.008 20 0 DIADHO c1ccc2c(c1)[nH]c1c2CCC[C@@H]1NC1CC[NH+](C2CCC2)CC1 ZINC000289145104 131361640 /nfs/dbraw/zinc/36/16/40/131361640.db2.gz FXYJEEDGHGHVNX-FQEVSTJZSA-N 1 3 323.484 4.152 20 0 DIADHO CC[NH+](CC)CC1CCN(Cc2ccccc2OC(C)C)CC1 ZINC000519987634 331519752 /nfs/dbraw/zinc/51/97/52/331519752.db2.gz JVJRXJGAIFKHJF-UHFFFAOYSA-N 1 3 318.505 4.028 20 0 DIADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000537948001 331535085 /nfs/dbraw/zinc/53/50/85/331535085.db2.gz ROCNEGRAWPVJDM-RHSMWYFYSA-N 1 3 314.464 4.197 20 0 DIADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(Cl)c1 ZINC000123662547 331692726 /nfs/dbraw/zinc/69/27/26/331692726.db2.gz HEFHZHOOWGGGBP-CQSZACIVSA-N 1 3 302.849 4.252 20 0 DIADHO C[N@@H+]1CC[C@H](NC/C=C\c2ccccc2)C[C@H]1c1ccccc1 ZINC000518407646 332027363 /nfs/dbraw/zinc/02/73/63/332027363.db2.gz HONSJOIAGSPZEK-AFUAKYECSA-N 1 3 306.453 4.125 20 0 DIADHO C[N@H+]1CC[C@H](NC/C=C\c2ccccc2)C[C@H]1c1ccccc1 ZINC000518407646 332027364 /nfs/dbraw/zinc/02/73/64/332027364.db2.gz HONSJOIAGSPZEK-AFUAKYECSA-N 1 3 306.453 4.125 20 0 DIADHO CSC1(CNCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000518617365 332096687 /nfs/dbraw/zinc/09/66/87/332096687.db2.gz LSTSOPVSFKTQPO-UHFFFAOYSA-N 1 3 318.530 4.048 20 0 DIADHO C[C@H](NCCCCC[NH+]1CCCC1)c1ccc(Cl)s1 ZINC000559890962 332289918 /nfs/dbraw/zinc/28/99/18/332289918.db2.gz LKIBLXGOGSBGDL-ZDUSSCGKSA-N 1 3 300.899 4.318 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC(C)C)c(Cl)c2)C1 ZINC000560247873 332323457 /nfs/dbraw/zinc/32/34/57/332323457.db2.gz GIOANAMGFGYWLA-LSDHHAIUSA-N 1 3 324.896 4.120 20 0 DIADHO CC(C)[N@H+](C)CC1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000560336463 332331774 /nfs/dbraw/zinc/33/17/74/332331774.db2.gz FWAWLDCPCXQWLM-HNNXBMFYSA-N 1 3 308.897 4.453 20 0 DIADHO CC(C)[N@@H+](C)CC1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000560336463 332331775 /nfs/dbraw/zinc/33/17/75/332331775.db2.gz FWAWLDCPCXQWLM-HNNXBMFYSA-N 1 3 308.897 4.453 20 0 DIADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000427692168 332488899 /nfs/dbraw/zinc/48/88/99/332488899.db2.gz ZPUXXQPDCZVVAK-OAQYLSRUSA-N 1 3 314.517 4.250 20 0 DIADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2ccccc2)cc1 ZINC000580245607 333040238 /nfs/dbraw/zinc/04/02/38/333040238.db2.gz WKTMGCYSUDKIMQ-UWJYYQICSA-N 1 3 308.469 4.126 20 0 DIADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2ccccc2)cc1 ZINC000580245607 333040240 /nfs/dbraw/zinc/04/02/40/333040240.db2.gz WKTMGCYSUDKIMQ-UWJYYQICSA-N 1 3 308.469 4.126 20 0 DIADHO C[C@@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C1CCC1 ZINC000379037409 333098508 /nfs/dbraw/zinc/09/85/08/333098508.db2.gz DDDUOQBLCXTERI-IEBWSBKVSA-N 1 3 300.490 4.067 20 0 DIADHO C[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000462744690 333106713 /nfs/dbraw/zinc/10/67/13/333106713.db2.gz MKMPAYHPCQUHHD-MAUKXSAKSA-N 1 3 320.908 4.330 20 0 DIADHO C[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)c1cccc(Cl)c1 ZINC000188095361 333159479 /nfs/dbraw/zinc/15/94/79/333159479.db2.gz CNIXOTKTRXDNTL-OAHLLOKOSA-N 1 3 320.908 4.440 20 0 DIADHO C[C@H](CNC1CC[NH+](C2CCCC2)CC1)c1cccc(Cl)c1 ZINC000188095361 333159480 /nfs/dbraw/zinc/15/94/80/333159480.db2.gz CNIXOTKTRXDNTL-OAHLLOKOSA-N 1 3 320.908 4.440 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000497518137 333258741 /nfs/dbraw/zinc/25/87/41/333258741.db2.gz KTIHRCOYVSPXGD-OXQOHEQNSA-N 1 3 316.464 4.083 20 0 DIADHO CC(C)[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(F)cn1 ZINC000497851906 333301589 /nfs/dbraw/zinc/30/15/89/333301589.db2.gz HPSLGVMAFIIPRM-QFBILLFUSA-N 1 3 321.484 4.020 20 0 DIADHO CC(C)[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(F)cn1 ZINC000497851906 333301591 /nfs/dbraw/zinc/30/15/91/333301591.db2.gz HPSLGVMAFIIPRM-QFBILLFUSA-N 1 3 321.484 4.020 20 0 DIADHO Cc1cccc([C@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000390775108 333392305 /nfs/dbraw/zinc/39/23/05/333392305.db2.gz MKEWBTMCLIXFDD-AZUAARDMSA-N 1 3 308.469 4.168 20 0 DIADHO Cc1cccc([C@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000390775108 333392307 /nfs/dbraw/zinc/39/23/07/333392307.db2.gz MKEWBTMCLIXFDD-AZUAARDMSA-N 1 3 308.469 4.168 20 0 DIADHO CC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc(C)cc1 ZINC000320113675 333425829 /nfs/dbraw/zinc/42/58/29/333425829.db2.gz RPISRPJXTWRDLD-HXUWFJFHSA-N 1 3 309.457 4.100 20 0 DIADHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1ccc(F)cc1F ZINC000531717310 333550361 /nfs/dbraw/zinc/55/03/61/333550361.db2.gz BAFONENMJHJVBK-OAHLLOKOSA-N 1 3 310.432 4.272 20 0 DIADHO Cc1cc(Cl)cc(C)c1CNCc1ccc([C@@H](C)[NH3+])cc1 ZINC000414803557 334102384 /nfs/dbraw/zinc/10/23/84/334102384.db2.gz DBBGSVSDXPMRTN-CQSZACIVSA-N 1 3 302.849 4.266 20 0 DIADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(C(C)(C)C)s2)cc1 ZINC000414812804 334106207 /nfs/dbraw/zinc/10/62/07/334106207.db2.gz RUNJOTQTNRPZIE-ZDUSSCGKSA-N 1 3 302.487 4.355 20 0 DIADHO Cc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)ccc1C(F)(F)F ZINC000414817685 334107112 /nfs/dbraw/zinc/10/71/12/334107112.db2.gz STUJOPALUQMRKS-ZDUSSCGKSA-N 1 3 322.374 4.323 20 0 DIADHO CC1([NH2+]CCCCc2ccc(Cl)c(Cl)c2)CCNCC1 ZINC000414939849 334202034 /nfs/dbraw/zinc/20/20/34/334202034.db2.gz JXFJAJLHDPKDEM-UHFFFAOYSA-N 1 3 315.288 4.048 20 0 DIADHO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000414951390 334207493 /nfs/dbraw/zinc/20/74/93/334207493.db2.gz PTYCUMIMYIOEMN-NILFDRSVSA-N 1 3 315.288 4.045 20 0 DIADHO CC[C@H](Cc1ccc(Cl)cc1Cl)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414951390 334207494 /nfs/dbraw/zinc/20/74/94/334207494.db2.gz PTYCUMIMYIOEMN-NILFDRSVSA-N 1 3 315.288 4.045 20 0 DIADHO C[C@@H](NC[C@H]1CC[NH2+][C@H](C)C1)c1cccc(Cl)c1Cl ZINC000415081861 334273026 /nfs/dbraw/zinc/27/30/26/334273026.db2.gz CLIPOGHJEDQTGL-UTUOFQBUSA-N 1 3 301.261 4.032 20 0 DIADHO [NH3+]CCC[C@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000415053223 334261460 /nfs/dbraw/zinc/26/14/60/334261460.db2.gz MBNUAGKUNQPUIW-KRWDZBQOSA-N 1 3 322.374 4.275 20 0 DIADHO [NH3+]CCC[C@H](NCc1cc2ccccc2s1)c1ccccc1 ZINC000415060065 334261947 /nfs/dbraw/zinc/26/19/47/334261947.db2.gz WAKQHVISDXCIJO-SFHVURJKSA-N 1 3 310.466 4.471 20 0 DIADHO Cc1cc(CN[C@@H](CCC[NH3+])c2ccccc2)ccc1Cl ZINC000415058595 334261952 /nfs/dbraw/zinc/26/19/52/334261952.db2.gz UDSUZYPIIUFVOQ-SFHVURJKSA-N 1 3 302.849 4.218 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)NCc1cccc(Cl)c1F ZINC000125060286 334340165 /nfs/dbraw/zinc/34/01/65/334340165.db2.gz UNEWGKSPWALVKC-ZDUSSCGKSA-N 1 3 300.849 4.079 20 0 DIADHO c1ccc(C[N@@H+]2CCC3(C2)CCN([C@H]2C=CCCC2)CC3)cc1 ZINC000534966842 334350754 /nfs/dbraw/zinc/35/07/54/334350754.db2.gz HATZKFQWOVTKSE-FQEVSTJZSA-N 1 3 310.485 4.083 20 0 DIADHO c1ccc(C[N@H+]2CCC3(C2)CCN([C@H]2C=CCCC2)CC3)cc1 ZINC000534966842 334350755 /nfs/dbraw/zinc/35/07/55/334350755.db2.gz HATZKFQWOVTKSE-FQEVSTJZSA-N 1 3 310.485 4.083 20 0 DIADHO C[C@H](CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)N1CCCCC1 ZINC000417347260 334706292 /nfs/dbraw/zinc/70/62/92/334706292.db2.gz VPUXZSNBYCVVTP-WCXIOVBPSA-N 1 3 306.519 4.094 20 0 DIADHO C[C@@H]1C[C@@H](N[C@H](CC2CC2)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000345283791 335313561 /nfs/dbraw/zinc/31/35/61/335313561.db2.gz BLCZVFVILVNPOV-JEBQAFNWSA-N 1 3 306.881 4.254 20 0 DIADHO C[C@@H]1C[C@@H](N[C@H](CC2CC2)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000345283791 335313562 /nfs/dbraw/zinc/31/35/62/335313562.db2.gz BLCZVFVILVNPOV-JEBQAFNWSA-N 1 3 306.881 4.254 20 0 DIADHO Cc1cc(C)c(CNCc2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000105023960 336286712 /nfs/dbraw/zinc/28/67/12/336286712.db2.gz HWHUIKLQIHRQFX-UHFFFAOYSA-N 1 3 322.496 4.497 20 0 DIADHO CCc1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c2ccccc2n1 ZINC000301786650 336329878 /nfs/dbraw/zinc/32/98/78/336329878.db2.gz LNEYZYRUMDZGSJ-GOSISDBHSA-N 1 3 323.484 4.252 20 0 DIADHO Cc1cc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)ccc1F ZINC000105424362 336387512 /nfs/dbraw/zinc/38/75/12/336387512.db2.gz XYVMLGMOUNEREV-UHFFFAOYSA-N 1 3 314.448 4.264 20 0 DIADHO Cc1cc(CNCc2cccc(C[N@H+](C)C(C)C)c2)ccc1F ZINC000105424362 336387513 /nfs/dbraw/zinc/38/75/13/336387513.db2.gz XYVMLGMOUNEREV-UHFFFAOYSA-N 1 3 314.448 4.264 20 0 DIADHO CC[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1cccc(C)c1 ZINC000353393872 336415146 /nfs/dbraw/zinc/41/51/46/336415146.db2.gz KKYUIJBWSBTMLY-OAQYLSRUSA-N 1 3 323.484 4.347 20 0 DIADHO CC(C)[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccnc1 ZINC000359272381 336665320 /nfs/dbraw/zinc/66/53/20/336665320.db2.gz ALAJYCGHQXYUNC-OAQYLSRUSA-N 1 3 323.484 4.164 20 0 DIADHO Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)s1 ZINC000183190877 337190333 /nfs/dbraw/zinc/19/03/33/337190333.db2.gz LIQDORYVKOIOSF-HEHGZKQESA-N 1 3 321.534 4.064 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](CCC(C)C)C(C)(C)C ZINC000422740166 337684729 /nfs/dbraw/zinc/68/47/29/337684729.db2.gz AXGZKOZVRXGQBT-MAUKXSAKSA-N 1 3 305.510 4.350 20 0 DIADHO COc1ccccc1-c1ccc([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422780599 337686213 /nfs/dbraw/zinc/68/62/13/337686213.db2.gz KOKJDPARRDTCOI-JYJNAYRXSA-N 1 3 312.457 4.139 20 0 DIADHO CC[C@H](N[C@@H](C)CCCC[NH3+])c1ccccc1Br ZINC000422893933 337690349 /nfs/dbraw/zinc/69/03/49/337690349.db2.gz RNXRLPTZPYXOIJ-WFASDCNBSA-N 1 3 313.283 4.007 20 0 DIADHO CC(C)[C@@H](N[C@@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000422908815 337690930 /nfs/dbraw/zinc/69/09/30/337690930.db2.gz ZJSLCSAPCLCXAQ-HZPDHXFCSA-N 1 3 314.395 4.134 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000423039212 337696680 /nfs/dbraw/zinc/69/66/80/337696680.db2.gz DZCZFUFTFBXTLN-IERDGZPVSA-N 1 3 323.484 4.431 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1c2ccccc2CCC[C@@H]1C ZINC000423049508 337697114 /nfs/dbraw/zinc/69/71/14/337697114.db2.gz JWUSOUVEXHEFET-HTZUNMPGSA-N 1 3 323.484 4.213 20 0 DIADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423077788 337698366 /nfs/dbraw/zinc/69/83/66/337698366.db2.gz UNMGYLMQIYDWLK-ZACQAIPSSA-N 1 3 312.457 4.042 20 0 DIADHO Clc1cccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCCNCC3)C2)c1 ZINC000423162651 337702152 /nfs/dbraw/zinc/70/21/52/337702152.db2.gz LKBVSMGPHWCIFD-NXHRZFHOSA-N 1 3 306.881 4.098 20 0 DIADHO Clc1ccc([C@@H]2CCCCC[C@@H]2[NH2+]C2CCNCC2)cc1 ZINC000423189763 337703101 /nfs/dbraw/zinc/70/31/01/337703101.db2.gz RMUKZJJBYWCFIV-ROUUACIJSA-N 1 3 306.881 4.098 20 0 DIADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000423290997 337710035 /nfs/dbraw/zinc/71/00/35/337710035.db2.gz GFUBCQFTSXCCJW-STQMWFEESA-N 1 3 320.383 4.159 20 0 DIADHO COc1ccc([C@H](NCc2ccc([C@H](C)[NH3+])cc2)C(C)C)cc1 ZINC000423290698 337710037 /nfs/dbraw/zinc/71/00/37/337710037.db2.gz FCBZUYUIEYBFRQ-MGPUTAFESA-N 1 3 312.457 4.202 20 0 DIADHO Cc1cc2c(cc1C)[C@H](NCc1ccc([C@H](C)[NH3+])cc1)CCCO2 ZINC000423291916 337710236 /nfs/dbraw/zinc/71/02/36/337710236.db2.gz KNOPVAKDRXRJST-OXJNMPFZSA-N 1 3 324.468 4.327 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc(F)c(Cl)c2)cc1 ZINC000423293017 337710349 /nfs/dbraw/zinc/71/03/49/337710349.db2.gz PIULJCAXZDQLGD-VXGBXAGGSA-N 1 3 306.812 4.350 20 0 DIADHO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC[C@@H](C)C[NH3+] ZINC000423294248 337710567 /nfs/dbraw/zinc/71/05/67/337710567.db2.gz BMXJFFFQPBPGQE-QWRGUYRKSA-N 1 3 323.893 4.017 20 0 DIADHO C[C@H](NCC1(C)CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000423338801 337712684 /nfs/dbraw/zinc/71/26/84/337712684.db2.gz UXWLVKAVZBVQCG-NSHDSACASA-N 1 3 301.261 4.034 20 0 DIADHO [NH3+][C@@H]1CCC[C@H](N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000423384358 337717793 /nfs/dbraw/zinc/71/77/93/337717793.db2.gz LBPZXAHMTYZIJC-PMPSAXMXSA-N 1 3 312.379 4.016 20 0 DIADHO C[C@H](NC[C@H]1CCC[C@@H]([NH3+])C1)c1cc(Cl)ccc1Cl ZINC000423456993 337720434 /nfs/dbraw/zinc/72/04/34/337720434.db2.gz HRZWWPXZJUZUHG-GMXVVIOVSA-N 1 3 301.261 4.162 20 0 DIADHO COc1ccc2c(c1)[C@H](N[C@@H](CCC[NH3+])c1ccccc1)CCC2 ZINC000423496695 337723044 /nfs/dbraw/zinc/72/30/44/337723044.db2.gz FJFGIRMOQBSKAQ-LEWJYISDSA-N 1 3 324.468 4.142 20 0 DIADHO CCOc1ccc([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000423498567 337723186 /nfs/dbraw/zinc/72/31/86/337723186.db2.gz IFLDZGSSGVHUKH-OXJNMPFZSA-N 1 3 312.457 4.216 20 0 DIADHO [NH3+]CCC[C@@H](N[C@H]1CCSc2ccccc21)c1ccccc1 ZINC000423506171 337723598 /nfs/dbraw/zinc/72/35/98/337723598.db2.gz OUXZQVOISQXBEY-MSOLQXFVSA-N 1 3 312.482 4.293 20 0 DIADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(F)c(F)c1 ZINC000423510885 337723992 /nfs/dbraw/zinc/72/39/92/337723992.db2.gz SQBPNJXDRXEPTP-SCLBCKFNSA-N 1 3 304.384 4.096 20 0 DIADHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1cc(Cl)sc1Cl ZINC000423481312 337724984 /nfs/dbraw/zinc/72/49/84/337724984.db2.gz NZSGCJPWEOVYRP-VHSXEESVSA-N 1 3 307.290 4.238 20 0 DIADHO CC(C)CCC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000429328242 338077824 /nfs/dbraw/zinc/07/78/24/338077824.db2.gz AUSDEXISJSKEMJ-UHFFFAOYSA-N 1 3 303.494 4.056 20 0 DIADHO CC(C)CCC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000429328242 338077825 /nfs/dbraw/zinc/07/78/25/338077825.db2.gz AUSDEXISJSKEMJ-UHFFFAOYSA-N 1 3 303.494 4.056 20 0 DIADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433311847 338191479 /nfs/dbraw/zinc/19/14/79/338191479.db2.gz OCDSLEBEVDIWOW-WMZOPIPTSA-N 1 3 306.881 4.004 20 0 DIADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433311847 338191480 /nfs/dbraw/zinc/19/14/80/338191480.db2.gz OCDSLEBEVDIWOW-WMZOPIPTSA-N 1 3 306.881 4.004 20 0 DIADHO CC1(C)CC([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC(C)(C)N1 ZINC000436269099 338264568 /nfs/dbraw/zinc/26/45/68/338264568.db2.gz WZFRDQQVCPHECV-IAGOWNOFSA-N 1 3 300.490 4.222 20 0 DIADHO c1ccc([C@H]2C[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)cc1 ZINC000436292979 338266666 /nfs/dbraw/zinc/26/66/66/338266666.db2.gz TWZFBQHGDCXORB-KESTWPANSA-N 1 3 312.501 4.319 20 0 DIADHO c1ccc([C@H]2C[C@H](NC3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000436292979 338266667 /nfs/dbraw/zinc/26/66/67/338266667.db2.gz TWZFBQHGDCXORB-KESTWPANSA-N 1 3 312.501 4.319 20 0 DIADHO CC(C)[C@@H](CC(F)(F)F)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000437106066 338301201 /nfs/dbraw/zinc/30/12/01/338301201.db2.gz FXAVEAPTSCJQHL-MRXNPFEDSA-N 1 3 320.443 4.350 20 0 DIADHO CCCN(CCC)CCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000438075472 338329607 /nfs/dbraw/zinc/32/96/07/338329607.db2.gz RABFMJNFNGRKNP-HUUCEWRRSA-N 1 3 308.432 4.209 20 0 DIADHO C[C@H]1C[C@@H](c2ccccc2)CCN1CCC[NH+]1CCCCC1 ZINC000439311637 338366678 /nfs/dbraw/zinc/36/66/78/338366678.db2.gz CDBGFMFYWIEMSF-ICSRJNTNSA-N 1 3 300.490 4.131 20 0 DIADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCN[C@H]2CCCc3occc32)C1 ZINC000447546909 338556231 /nfs/dbraw/zinc/55/62/31/338556231.db2.gz ZSXASVLXFQKLDI-NUJGCVRESA-N 1 3 304.478 4.005 20 0 DIADHO CC[C@@H]([NH2+]CC1CCN(Cc2cccs2)CC1)C1CCC1 ZINC000449103804 338593694 /nfs/dbraw/zinc/59/36/94/338593694.db2.gz CECRAYYOMOANSJ-GOSISDBHSA-N 1 3 306.519 4.128 20 0 DIADHO c1ccc(CCCCC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000459415109 339027976 /nfs/dbraw/zinc/02/79/76/339027976.db2.gz ZOGKTSVTQWKZKI-UHFFFAOYSA-N 1 3 323.484 4.053 20 0 DIADHO Cc1cc(CNC2CC[NH+](C3CC3)CC2)ccc1-c1ccccc1 ZINC000459506841 339032998 /nfs/dbraw/zinc/03/29/98/339032998.db2.gz UXUMTXXHFMVMMO-UHFFFAOYSA-N 1 3 320.480 4.378 20 0 DIADHO CC[C@@H](NCCC1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000461095178 339059176 /nfs/dbraw/zinc/05/91/76/339059176.db2.gz BTQXXDSQQZMKTL-MRXNPFEDSA-N 1 3 312.860 4.252 20 0 DIADHO Cc1cccc2c1ncc(C)c2N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000462508492 339080374 /nfs/dbraw/zinc/08/03/74/339080374.db2.gz ZUGHRNMLADDDBV-GOSISDBHSA-N 1 3 323.484 4.020 20 0 DIADHO CCC[N@H+](C)C[C@H]1CCN(c2c(C)cnc3c(C)cccc32)C1 ZINC000462515660 339080487 /nfs/dbraw/zinc/08/04/87/339080487.db2.gz XTLGROSJRYIHAH-QGZVFWFLSA-N 1 3 311.473 4.020 20 0 DIADHO CCC[N@@H+](C)C[C@H]1CCN(c2c(C)cnc3c(C)cccc32)C1 ZINC000462515660 339080488 /nfs/dbraw/zinc/08/04/88/339080488.db2.gz XTLGROSJRYIHAH-QGZVFWFLSA-N 1 3 311.473 4.020 20 0 DIADHO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC000462780838 339088129 /nfs/dbraw/zinc/08/81/29/339088129.db2.gz ZOCGEDZRURRZMM-GIVPXCGWSA-N 1 3 314.517 4.109 20 0 DIADHO FCCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000462821693 339092066 /nfs/dbraw/zinc/09/20/66/339092066.db2.gz MKXPYFUNEXLZTO-XUVXKRRUSA-N 1 3 318.480 4.017 20 0 DIADHO C[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000463141517 339107057 /nfs/dbraw/zinc/10/70/57/339107057.db2.gz CCJVSHSZFWCPOF-UEXGIBASSA-N 1 3 308.469 4.390 20 0 DIADHO C[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000463141517 339107058 /nfs/dbraw/zinc/10/70/58/339107058.db2.gz CCJVSHSZFWCPOF-UEXGIBASSA-N 1 3 308.469 4.390 20 0 DIADHO CC(C)(C)[NH+]1CCC(N[C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000464068239 339132907 /nfs/dbraw/zinc/13/29/07/339132907.db2.gz QYWSOJLLSUZOEI-OALUTQOASA-N 1 3 314.517 4.421 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)C1 ZINC000464082609 339133668 /nfs/dbraw/zinc/13/36/68/339133668.db2.gz PEAPKWNVMKDVPO-YZGWKJHDSA-N 1 3 314.517 4.279 20 0 DIADHO C[C@@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)CN1CCCCC1 ZINC000466369984 339201202 /nfs/dbraw/zinc/20/12/02/339201202.db2.gz IHODELRHHQJAOV-FHERZECASA-N 1 3 320.443 4.067 20 0 DIADHO CN1CC=C(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC000467350755 339233233 /nfs/dbraw/zinc/23/32/33/339233233.db2.gz UCYRLZYCXUGUKE-LJQANCHMSA-N 1 3 318.892 4.423 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000469126455 339280825 /nfs/dbraw/zinc/28/08/25/339280825.db2.gz XYGXWFNNZFLEFU-MAUKXSAKSA-N 1 3 306.881 4.113 20 0 DIADHO CC[N@@H+]1CC[C@@H](CN[C@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000469126455 339280826 /nfs/dbraw/zinc/28/08/26/339280826.db2.gz XYGXWFNNZFLEFU-MAUKXSAKSA-N 1 3 306.881 4.113 20 0 DIADHO CC[N@H+]1CC[C@@H](CN[C@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000469126455 339280827 /nfs/dbraw/zinc/28/08/27/339280827.db2.gz XYGXWFNNZFLEFU-MAUKXSAKSA-N 1 3 306.881 4.113 20 0 DIADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC000469847653 339302425 /nfs/dbraw/zinc/30/24/25/339302425.db2.gz ZKQDMQOCISUIDP-CHWSQXEVSA-N 1 3 320.889 4.238 20 0 DIADHO CC[NH+](CC)CC1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000470722163 339326118 /nfs/dbraw/zinc/32/61/18/339326118.db2.gz FVLDEGBHAYCSDA-UHFFFAOYSA-N 1 3 310.432 4.178 20 0 DIADHO Cc1ccc2[nH]c(C[NH2+]C3CCN(C(C)(C)C)CC3)cc2c1C ZINC000472065971 339361940 /nfs/dbraw/zinc/36/19/40/339361940.db2.gz OZXRRQULLROHAI-UHFFFAOYSA-N 1 3 313.489 4.137 20 0 DIADHO C[C@H](CC[NH2+][C@H](C)C1CCC(F)(F)CC1)N1CCCCC1 ZINC000474046026 339398957 /nfs/dbraw/zinc/39/89/57/339398957.db2.gz RNMBCHIIHFMGHF-HUUCEWRRSA-N 1 3 302.453 4.055 20 0 DIADHO C[C@H](C[N@H+](C)CC1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000501077771 340073941 /nfs/dbraw/zinc/07/39/41/340073941.db2.gz OWZFCCBGCNWMAC-GOSISDBHSA-N 1 3 323.484 4.034 20 0 DIADHO C[C@H](C[N@@H+](C)CC1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000501077771 340073942 /nfs/dbraw/zinc/07/39/42/340073942.db2.gz OWZFCCBGCNWMAC-GOSISDBHSA-N 1 3 323.484 4.034 20 0 DIADHO C[C@H](c1ccc(F)c(F)c1)N1CCC(CCC[NH+](C)C)CC1 ZINC000501779560 340088237 /nfs/dbraw/zinc/08/82/37/340088237.db2.gz XCIJTIJIZASQTD-CQSZACIVSA-N 1 3 310.432 4.080 20 0 DIADHO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)oc1C ZINC000502458307 340104468 /nfs/dbraw/zinc/10/44/68/340104468.db2.gz CLXYJJRXZCEOBP-LPHOPBHVSA-N 1 3 312.457 4.069 20 0 DIADHO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CC[C@H]1CCCN1C ZINC000502691104 340110731 /nfs/dbraw/zinc/11/07/31/340110731.db2.gz GHJLAHBZFWINEM-XJKSGUPXSA-N 1 3 314.395 4.183 20 0 DIADHO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CC[C@H]1CCCN1C ZINC000502691104 340110732 /nfs/dbraw/zinc/11/07/32/340110732.db2.gz GHJLAHBZFWINEM-XJKSGUPXSA-N 1 3 314.395 4.183 20 0 DIADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CC[C@@H]1CCCN1C ZINC000502703029 340111422 /nfs/dbraw/zinc/11/14/22/340111422.db2.gz UPTXRQXOIJPLEG-CJNGLKHVSA-N 1 3 314.395 4.183 20 0 DIADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CC[C@@H]1CCCN1C ZINC000502703029 340111423 /nfs/dbraw/zinc/11/14/23/340111423.db2.gz UPTXRQXOIJPLEG-CJNGLKHVSA-N 1 3 314.395 4.183 20 0 DIADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1ccc(-c2ccccc2)o1 ZINC000507437894 340219357 /nfs/dbraw/zinc/21/93/57/340219357.db2.gz ADPCYCBJZXPWTM-INIZCTEOSA-N 1 3 312.457 4.329 20 0 DIADHO FCCC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000510722484 340308152 /nfs/dbraw/zinc/30/81/52/340308152.db2.gz OZQITIMHAKXIMH-LPHOPBHVSA-N 1 3 310.501 4.292 20 0 DIADHO CN1CCC[C@H]1CC[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511092579 340320472 /nfs/dbraw/zinc/32/04/72/340320472.db2.gz OTNWOTJXSPQRNF-LPHOPBHVSA-N 1 3 322.443 4.033 20 0 DIADHO CSc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000173388737 340364068 /nfs/dbraw/zinc/36/40/68/340364068.db2.gz IESXJZHEBZRHFF-HOTGVXAUSA-N 1 3 306.519 4.180 20 0 DIADHO Cc1ccc(CNC2CC[NH+](Cc3ccccc3C)CC2)c(C)c1 ZINC000512808252 340378582 /nfs/dbraw/zinc/37/85/82/340378582.db2.gz ABWVFCYHJARTFV-UHFFFAOYSA-N 1 3 322.496 4.366 20 0 DIADHO Cc1ccccc1C[NH+]1CCC(NCc2cccc(C)c2C)CC1 ZINC000512809437 340378742 /nfs/dbraw/zinc/37/87/42/340378742.db2.gz LCTPOMIJCIFNAH-UHFFFAOYSA-N 1 3 322.496 4.366 20 0 DIADHO CC(C)(C)N1CCC([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000178216106 340447809 /nfs/dbraw/zinc/44/78/09/340447809.db2.gz BNDJQMSGQTVKBA-UHFFFAOYSA-N 1 3 320.443 4.208 20 0 DIADHO CCSc1cccc(CNCc2ccc(C[NH+](C)C)cc2)c1 ZINC000185451562 340501197 /nfs/dbraw/zinc/50/11/97/340501197.db2.gz UXSDGEAVMFIFJU-UHFFFAOYSA-N 1 3 314.498 4.150 20 0 DIADHO CC[C@H](c1ccc(F)cc1F)N1CCC(CC[NH+](C)C)CC1 ZINC000523436239 340623977 /nfs/dbraw/zinc/62/39/77/340623977.db2.gz ICAQLGIXDMMPFM-GOSISDBHSA-N 1 3 310.432 4.080 20 0 DIADHO CC1(C)CC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC(C)(C)N1 ZINC000069377516 340956915 /nfs/dbraw/zinc/95/69/15/340956915.db2.gz AJNJHPYRKGWHLF-NWDGAFQWSA-N 1 3 306.416 4.006 20 0 DIADHO C[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)Cc1ccccc1 ZINC000543446753 341045105 /nfs/dbraw/zinc/04/51/05/341045105.db2.gz LCEKYPGQOCQLTA-SFHVURJKSA-N 1 3 314.517 4.252 20 0 DIADHO CC(C)C[NH+]1CCC(N[C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000544039456 341067620 /nfs/dbraw/zinc/06/76/20/341067620.db2.gz PSHQRFMUVGNYEV-PMACEKPBSA-N 1 3 314.517 4.279 20 0 DIADHO CCC[NH+]1CCC(CN[C@@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000544575501 341086716 /nfs/dbraw/zinc/08/67/16/341086716.db2.gz KZAYIFMXHZOVHV-LJQANCHMSA-N 1 3 304.478 4.141 20 0 DIADHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(Cl)s1 ZINC000544895386 341097898 /nfs/dbraw/zinc/09/78/98/341097898.db2.gz AROHGZJQORJKBF-LBPRGKRZSA-N 1 3 300.899 4.174 20 0 DIADHO c1ccc([C@@H]2CC[C@@H]([NH2+]C3CCN(C4CCCC4)CC3)C2)cc1 ZINC000133293573 341170538 /nfs/dbraw/zinc/17/05/38/341170538.db2.gz ZNERQYUEQSVRLV-UYAOXDASSA-N 1 3 312.501 4.319 20 0 DIADHO C[C@@H]1CCCc2ccccc2[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000547321658 341205566 /nfs/dbraw/zinc/20/55/66/341205566.db2.gz GBPPRJFLCPZHIK-IERDGZPVSA-N 1 3 312.501 4.164 20 0 DIADHO C[C@H](F)CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000550881968 341325292 /nfs/dbraw/zinc/32/52/92/341325292.db2.gz FIFRVERLMQAJJA-MTFMMBMASA-N 1 3 318.480 4.015 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)C1 ZINC000551833023 341353260 /nfs/dbraw/zinc/35/32/60/341353260.db2.gz FXRVMJWAEKMSBZ-HMXCVIKNSA-N 1 3 314.517 4.423 20 0 DIADHO C[C@H]1CCc2c(F)cccc2[C@H]1NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000247220474 341362343 /nfs/dbraw/zinc/36/23/43/341362343.db2.gz WJVSLZVWGIKLLS-GAOHTFMZSA-N 1 3 316.464 4.054 20 0 DIADHO C[C@H]1CCc2c(F)cccc2[C@H]1NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000247220474 341362344 /nfs/dbraw/zinc/36/23/44/341362344.db2.gz WJVSLZVWGIKLLS-GAOHTFMZSA-N 1 3 316.464 4.054 20 0 DIADHO C[C@@H]([NH2+]C[C@@H](C)Cc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000248595362 341380696 /nfs/dbraw/zinc/38/06/96/341380696.db2.gz SOAFFUZRXIYMSS-NSHGMRRFSA-N 1 3 314.517 4.108 20 0 DIADHO COc1ccc([C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1Cl ZINC000552549895 341398398 /nfs/dbraw/zinc/39/83/98/341398398.db2.gz CDGJLCJUPZGLTD-CYBMUJFWSA-N 1 3 324.896 4.262 20 0 DIADHO c1ccc([C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)C2CC2)cc1 ZINC000091372391 341425469 /nfs/dbraw/zinc/42/54/69/341425469.db2.gz GMHWGNBXPWYTOP-OAQYLSRUSA-N 1 3 321.468 4.039 20 0 DIADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCc1ccc(C[NH3+])cc1 ZINC000566245587 341551860 /nfs/dbraw/zinc/55/18/60/341551860.db2.gz VXINPSMGUDKVBA-FQEVSTJZSA-N 1 3 319.452 4.102 20 0 DIADHO CCOc1cccc2cc([C@@H](C)NCc3ccc(C[NH3+])cc3)oc21 ZINC000567895797 341639313 /nfs/dbraw/zinc/63/93/13/341639313.db2.gz YASUQWNUDMRKCQ-CQSZACIVSA-N 1 3 324.424 4.141 20 0 DIADHO CC(C)[C@H](NCc1ccc(C[NH3+])cc1)c1cc2ccccc2o1 ZINC000575401973 341796527 /nfs/dbraw/zinc/79/65/27/341796527.db2.gz XDNZSIZESMXNGD-FQEVSTJZSA-N 1 3 308.425 4.378 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)C1 ZINC000163280925 521711507 /nfs/dbraw/zinc/71/15/07/521711507.db2.gz NLQNRWYWVXJVHQ-XJKSGUPXSA-N 1 3 324.921 4.198 20 0 DIADHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cccnc1Cl ZINC000157861916 525335026 /nfs/dbraw/zinc/33/50/26/525335026.db2.gz QGVLGGDYSXJOKG-GJZGRUSLSA-N 1 3 309.885 4.040 20 0 DIADHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cccnc1Cl ZINC000157861916 525335037 /nfs/dbraw/zinc/33/50/37/525335037.db2.gz QGVLGGDYSXJOKG-GJZGRUSLSA-N 1 3 309.885 4.040 20 0 DIADHO COc1ccc([C@@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)c2ccccc12 ZINC000643547050 1035594056 /nfs/dbraw/zinc/59/40/56/1035594056.db2.gz YXHYRXZLSVXRTC-HZPDHXFCSA-N 1 3 324.468 4.174 20 0 DIADHO CCN([C@H]1CCOC1)C1CC[NH+](CC[C@H](C)CC(C)(C)C)CC1 ZINC001208663898 1035787555 /nfs/dbraw/zinc/78/75/55/1035787555.db2.gz JQMPAFQSOQJMIC-HKUYNNGSSA-N 1 3 324.553 4.024 20 0 DIADHO CCC[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000037649063 1036123836 /nfs/dbraw/zinc/12/38/36/1036123836.db2.gz XKWFXHLZDUYONE-KDOFPFPSSA-N 1 3 306.881 4.255 20 0 DIADHO CCC[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000037649063 1036123844 /nfs/dbraw/zinc/12/38/44/1036123844.db2.gz XKWFXHLZDUYONE-KDOFPFPSSA-N 1 3 306.881 4.255 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000037786253 1036134850 /nfs/dbraw/zinc/13/48/50/1036134850.db2.gz RNWLBFHPVUMWTR-INIZCTEOSA-N 1 3 304.503 4.076 20 0 DIADHO Cc1cc(C)c([C@@H](C)[N@@H+]2CC[C@H](CN3CCCCC3)C2)c(C)c1 ZINC001167429874 1037247340 /nfs/dbraw/zinc/24/73/40/1037247340.db2.gz NRANUTTZTWQVCV-WOJBJXKFSA-N 1 3 314.517 4.481 20 0 DIADHO Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@H](CN3CCCCC3)C2)c(C)c1 ZINC001167429874 1037247354 /nfs/dbraw/zinc/24/73/54/1037247354.db2.gz NRANUTTZTWQVCV-WOJBJXKFSA-N 1 3 314.517 4.481 20 0 DIADHO Cc1cc(C)c([C@@H](C)N2CC[C@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC001167429874 1037247367 /nfs/dbraw/zinc/24/73/67/1037247367.db2.gz NRANUTTZTWQVCV-WOJBJXKFSA-N 1 3 314.517 4.481 20 0 DIADHO CSc1ccc(CN2CCC(CCC[NH+](C)C)CC2)s1 ZINC000581974999 1038188354 /nfs/dbraw/zinc/18/83/54/1038188354.db2.gz KFRICWBQWQKEQV-UHFFFAOYSA-N 1 3 312.548 4.024 20 0 DIADHO CCOc1ccccc1[C@@H](CC)[NH2+]CC[C@H]1CCCCN1C ZINC000341662860 1038210390 /nfs/dbraw/zinc/21/03/90/1038210390.db2.gz VYJLFAPHTYFCLL-SJLPKXTDSA-N 1 3 304.478 4.000 20 0 DIADHO c1ccc(-c2ccc(CCN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000090468701 1038447263 /nfs/dbraw/zinc/44/72/63/1038447263.db2.gz IWVHGRQXVFPMES-FGZHOGPDSA-N 1 3 320.480 4.113 20 0 DIADHO c1ccc(-c2ccc(CCN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000090468701 1038447270 /nfs/dbraw/zinc/44/72/70/1038447270.db2.gz IWVHGRQXVFPMES-FGZHOGPDSA-N 1 3 320.480 4.113 20 0 DIADHO C[C@@H]1C[C@@H](NCc2ccc(N(C)c3ccccc3)cc2)CC[N@@H+]1C ZINC000608061588 1038761870 /nfs/dbraw/zinc/76/18/70/1038761870.db2.gz ZIYUBZVSTSXYTE-MJGOQNOKSA-N 1 3 323.484 4.027 20 0 DIADHO C[C@@H]1C[C@@H](NCc2ccc(N(C)c3ccccc3)cc2)CC[N@H+]1C ZINC000608061588 1038761876 /nfs/dbraw/zinc/76/18/76/1038761876.db2.gz ZIYUBZVSTSXYTE-MJGOQNOKSA-N 1 3 323.484 4.027 20 0 DIADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CCC(C)(C)c4cccc2c43)CC[N@@H+]1C ZINC000539558576 1039288703 /nfs/dbraw/zinc/28/87/03/1039288703.db2.gz KOBOZIKTTJWHMK-YKTARERQSA-N 1 3 312.501 4.359 20 0 DIADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CCC(C)(C)c4cccc2c43)CC[N@H+]1C ZINC000539558576 1039288707 /nfs/dbraw/zinc/28/87/07/1039288707.db2.gz KOBOZIKTTJWHMK-YKTARERQSA-N 1 3 312.501 4.359 20 0 DIADHO C[C@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccsc1 ZINC000669851360 1039394282 /nfs/dbraw/zinc/39/42/82/1039394282.db2.gz NBGVJLSEUVBEJV-GJZGRUSLSA-N 1 3 318.486 4.100 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)c2)cc1 ZINC000540159830 1039430724 /nfs/dbraw/zinc/43/07/24/1039430724.db2.gz FYKJQKVELLTRGL-DYESRHJHSA-N 1 3 308.469 4.234 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2)cc1 ZINC000540159830 1039430734 /nfs/dbraw/zinc/43/07/34/1039430734.db2.gz FYKJQKVELLTRGL-DYESRHJHSA-N 1 3 308.469 4.234 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2)cc1 ZINC000540159831 1039430972 /nfs/dbraw/zinc/43/09/72/1039430972.db2.gz FYKJQKVELLTRGL-LAUBAEHRSA-N 1 3 308.469 4.234 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2)cc1 ZINC000540159831 1039430980 /nfs/dbraw/zinc/43/09/80/1039430980.db2.gz FYKJQKVELLTRGL-LAUBAEHRSA-N 1 3 308.469 4.234 20 0 DIADHO C[C@@H]1C[C@H]1[C@H](N[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000540189081 1039442836 /nfs/dbraw/zinc/44/28/36/1039442836.db2.gz WUNXEYHDASXHFD-AITFPPKLSA-N 1 3 320.908 4.355 20 0 DIADHO C[C@@H]1C[C@H]1[C@H](N[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000540189081 1039442842 /nfs/dbraw/zinc/44/28/42/1039442842.db2.gz WUNXEYHDASXHFD-AITFPPKLSA-N 1 3 320.908 4.355 20 0 DIADHO CCc1ccc([C@@H](CC)NCc2ccc(C[NH3+])cc2F)cc1 ZINC000650752366 1039447881 /nfs/dbraw/zinc/44/78/81/1039447881.db2.gz PUOIOLQEKFNGBW-LJQANCHMSA-N 1 3 300.421 4.088 20 0 DIADHO [NH3+]Cc1ccc(CN[C@H](CC2CCC2)c2ccccc2)c(F)c1 ZINC000650754639 1039456872 /nfs/dbraw/zinc/45/68/72/1039456872.db2.gz NCUNEMNDFBYDLM-HXUWFJFHSA-N 1 3 312.432 4.306 20 0 DIADHO CCSc1ccccc1[C@@H](C)NCc1ccccc1C[NH2+]C ZINC000650757912 1039466086 /nfs/dbraw/zinc/46/60/86/1039466086.db2.gz DUKNBBKEFXBSCX-OAHLLOKOSA-N 1 3 314.498 4.369 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@H]1CCCOc2cc(C)c(C)cc21 ZINC000650758609 1039469586 /nfs/dbraw/zinc/46/95/86/1039469586.db2.gz TWWMVQGKGKXIQZ-FQEVSTJZSA-N 1 3 324.468 4.026 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000650758237 1039470031 /nfs/dbraw/zinc/47/00/31/1039470031.db2.gz LOIKRYDQZSMPQD-ZDUSSCGKSA-N 1 3 322.374 4.276 20 0 DIADHO C[C@@H]([NH2+]CCCN1CCCC[C@H]1C)c1cc2ccncc2s1 ZINC000657824565 1039585392 /nfs/dbraw/zinc/58/53/92/1039585392.db2.gz URSKURNDMYDZGN-HUUCEWRRSA-N 1 3 317.502 4.211 20 0 DIADHO C[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)c1cc2ccncc2s1 ZINC000657824566 1039585603 /nfs/dbraw/zinc/58/56/03/1039585603.db2.gz URSKURNDMYDZGN-LSDHHAIUSA-N 1 3 317.502 4.211 20 0 DIADHO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC[C@@H]1CCCCN1C ZINC000541660431 1039727169 /nfs/dbraw/zinc/72/71/69/1039727169.db2.gz DMNBSZFIKDQISE-CVEARBPZSA-N 1 3 300.446 4.266 20 0 DIADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccccc1 ZINC000197136813 1039971083 /nfs/dbraw/zinc/97/10/83/1039971083.db2.gz SOJWKPGESCYEFG-HXUWFJFHSA-N 1 3 308.469 4.077 20 0 DIADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccccc1 ZINC000197136813 1039971102 /nfs/dbraw/zinc/97/11/02/1039971102.db2.gz SOJWKPGESCYEFG-HXUWFJFHSA-N 1 3 308.469 4.077 20 0 DIADHO C[C@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(C(F)F)nc1 ZINC000657890600 1040049076 /nfs/dbraw/zinc/04/90/76/1040049076.db2.gz VQXXTVXCUCGMJQ-SWLSCSKDSA-N 1 3 313.436 4.036 20 0 DIADHO CCCCCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000685470089 1040067875 /nfs/dbraw/zinc/06/78/75/1040067875.db2.gz SDIBWTFAERCZFE-YLJYHZDGSA-N 1 3 318.505 4.028 20 0 DIADHO CCCCCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000685470089 1040067891 /nfs/dbraw/zinc/06/78/91/1040067891.db2.gz SDIBWTFAERCZFE-YLJYHZDGSA-N 1 3 318.505 4.028 20 0 DIADHO CCCCCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000685470086 1040068990 /nfs/dbraw/zinc/06/89/90/1040068990.db2.gz SDIBWTFAERCZFE-FXAWDEMLSA-N 1 3 318.505 4.028 20 0 DIADHO CCCCCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000685470086 1040068998 /nfs/dbraw/zinc/06/89/98/1040068998.db2.gz SDIBWTFAERCZFE-FXAWDEMLSA-N 1 3 318.505 4.028 20 0 DIADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C1(C)CC1 ZINC000309868445 1040097648 /nfs/dbraw/zinc/09/76/48/1040097648.db2.gz QEZNLJWKXUKLJW-MJGOQNOKSA-N 1 3 300.490 4.067 20 0 DIADHO C[C@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000309708968 1040210250 /nfs/dbraw/zinc/21/02/50/1040210250.db2.gz IPPYKABIAARNQS-QFBILLFUSA-N 1 3 314.498 4.311 20 0 DIADHO C[C@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000309708968 1040210262 /nfs/dbraw/zinc/21/02/62/1040210262.db2.gz IPPYKABIAARNQS-QFBILLFUSA-N 1 3 314.498 4.311 20 0 DIADHO CCC[C@@H](C)[C@H](CC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164734 1040337872 /nfs/dbraw/zinc/33/78/72/1040337872.db2.gz FCXCEKUUVVHSEN-XLIONFOSSA-N 1 3 317.521 4.098 20 0 DIADHO CCC[C@H](C)[C@H](CC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164731 1040338233 /nfs/dbraw/zinc/33/82/33/1040338233.db2.gz FCXCEKUUVVHSEN-PXNSSMCTSA-N 1 3 317.521 4.098 20 0 DIADHO CC[C@@H](C)C[C@@H](CC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167919 1040339209 /nfs/dbraw/zinc/33/92/09/1040339209.db2.gz USFWIHPPGLRLPQ-YLJYHZDGSA-N 1 3 317.521 4.098 20 0 DIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@]2(C)CC2(F)F)CC1 ZINC000658221344 1040363302 /nfs/dbraw/zinc/36/33/02/1040363302.db2.gz LFZDXQYEYBQSNF-KRWDZBQOSA-N 1 3 316.480 4.301 20 0 DIADHO C[C@@H](N[C@H](C)c1ccc(F)c(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000924533139 1040521080 /nfs/dbraw/zinc/52/10/80/1040521080.db2.gz VUYPKOCBJOQYQF-ZIAGYGMSSA-N 1 3 318.411 4.438 20 0 DIADHO CCCCCC[C@H](CC)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001170590423 1041283902 /nfs/dbraw/zinc/28/39/02/1041283902.db2.gz JZDRUIJZUBSWSL-IBGZPJMESA-N 1 3 324.553 4.216 20 0 DIADHO CCCCCC[C@H](CC)N1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001170602271 1041359599 /nfs/dbraw/zinc/35/95/99/1041359599.db2.gz YLYHJZHAZXPZAU-SFHVURJKSA-N 1 3 324.553 4.311 20 0 DIADHO CCCCCC[C@H](CC)N1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001170602271 1041359611 /nfs/dbraw/zinc/35/96/11/1041359611.db2.gz YLYHJZHAZXPZAU-SFHVURJKSA-N 1 3 324.553 4.311 20 0 DIADHO C[NH+](C)Cc1cccc(CNCc2ccc(C(F)F)c(F)c2)c1 ZINC000893333315 1041721722 /nfs/dbraw/zinc/72/17/22/1041721722.db2.gz VJAAAKQFLQHFBK-UHFFFAOYSA-N 1 3 322.374 4.115 20 0 DIADHO CCc1cnccc1[C@@H](C)N[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925685603 1041779114 /nfs/dbraw/zinc/77/91/14/1041779114.db2.gz NSWCGAVJYAXLTJ-JKSUJKDBSA-N 1 3 311.473 4.117 20 0 DIADHO CC1(C)[C@@H]2C[C@@H](N3CCC([NH3+])(c4ccc(Cl)cc4)CC3)C[C@@H]21 ZINC001170737166 1041803459 /nfs/dbraw/zinc/80/34/59/1041803459.db2.gz GOSVGWHQCLWGQG-OSYLJGHBSA-N 1 3 318.892 4.024 20 0 DIADHO C[C@@H]([NH2+]Cc1ccccc1CN(C)Cc1ccco1)c1ccco1 ZINC000164512514 1041993489 /nfs/dbraw/zinc/99/34/89/1041993489.db2.gz LANTXIBKZFOHIS-MRXNPFEDSA-N 1 3 324.424 4.355 20 0 DIADHO CC[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc(Cl)c1F ZINC000161560664 1042111336 /nfs/dbraw/zinc/11/13/36/1042111336.db2.gz ONIQZCYTWKHSDR-LRDDRELGSA-N 1 3 310.844 4.004 20 0 DIADHO CC[C@@H]([NH2+]C1CCN(C(C)C)CC1)c1cccc(Cl)c1F ZINC000161789511 1042114949 /nfs/dbraw/zinc/11/49/49/1042114949.db2.gz MXJPSMNHUXSTQS-MRXNPFEDSA-N 1 3 312.860 4.393 20 0 DIADHO Cc1cc2cc([C@@H](C)NCc3ccc(CC[NH3+])cc3)oc2cc1C ZINC000817949888 1042130100 /nfs/dbraw/zinc/13/01/00/1042130100.db2.gz SXDQVBYQUWQZDW-MRXNPFEDSA-N 1 3 322.452 4.402 20 0 DIADHO CC[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccc(Cl)s1 ZINC000817949291 1042130331 /nfs/dbraw/zinc/13/03/31/1042130331.db2.gz PWLDFRXHXJSFOZ-CQSZACIVSA-N 1 3 308.878 4.144 20 0 DIADHO c1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCCN(CC3CC3)C2)cc1 ZINC000663467866 1042179430 /nfs/dbraw/zinc/17/94/30/1042179430.db2.gz IIWHWGPSNWGEEJ-JBACZVJFSA-N 1 3 312.501 4.034 20 0 DIADHO C[C@@H](N[C@H]1CCc2c1cccc2F)c1cccc(C[NH+](C)C)c1 ZINC000820808957 1042229234 /nfs/dbraw/zinc/22/92/34/1042229234.db2.gz QLBYXNUWVKUYMM-VLIAUNLRSA-N 1 3 312.432 4.225 20 0 DIADHO CC[NH+](CC)CCC[C@@H](C)N1CCc2cccc(Cl)c2C1 ZINC001167839671 1042250886 /nfs/dbraw/zinc/25/08/86/1042250886.db2.gz BDBKGMDPDFZBKR-OAHLLOKOSA-N 1 3 308.897 4.209 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000513340050 1042533816 /nfs/dbraw/zinc/53/38/16/1042533816.db2.gz GNRXGZDGQJVQMB-ZIAGYGMSSA-N 1 3 320.443 4.208 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000513345263 1042535675 /nfs/dbraw/zinc/53/56/75/1042535675.db2.gz ILDFDXLDZKGUSH-DZGCQCFKSA-N 1 3 320.443 4.208 20 0 DIADHO C[C@H]1CCC[N@H+](CCCCN[C@H]2CCc3c2c(F)ccc3F)C1 ZINC000513528161 1042551078 /nfs/dbraw/zinc/55/10/78/1042551078.db2.gz XIEIHELBHPHVNN-KSSFIOAISA-N 1 3 322.443 4.054 20 0 DIADHO C[C@H]1CCC[N@@H+](CCCCN[C@H]2CCc3c2c(F)ccc3F)C1 ZINC000513528161 1042551090 /nfs/dbraw/zinc/55/10/90/1042551090.db2.gz XIEIHELBHPHVNN-KSSFIOAISA-N 1 3 322.443 4.054 20 0 DIADHO C[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1Cl ZINC000421819612 1042653309 /nfs/dbraw/zinc/65/33/09/1042653309.db2.gz HZSCAIUMCBUTBE-XHSDSOJGSA-N 1 3 323.912 4.144 20 0 DIADHO C[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1Cl ZINC000421819612 1042653311 /nfs/dbraw/zinc/65/33/11/1042653311.db2.gz HZSCAIUMCBUTBE-XHSDSOJGSA-N 1 3 323.912 4.144 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000422716976 1042689003 /nfs/dbraw/zinc/68/90/03/1042689003.db2.gz VBFYAAPKQDZXOK-FCEWJHQRSA-N 1 3 303.494 4.104 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000422785229 1042690004 /nfs/dbraw/zinc/69/00/04/1042690004.db2.gz MZQOPQZBKPJVKU-IFXJQAMLSA-N 1 3 315.436 4.036 20 0 DIADHO [NH3+][C@@H]1C[C@H](NC[C@H]2CCCC[C@@H]2C(F)(F)F)c2ccccc21 ZINC000422819972 1042690748 /nfs/dbraw/zinc/69/07/48/1042690748.db2.gz OQJHQFXRAXGMIY-CAPXZKIUSA-N 1 3 312.379 4.090 20 0 DIADHO N[C@@H]1C[C@@H]([NH2+]CC2(Sc3ccccc3)CC2)c2ccccc21 ZINC000422904008 1042692159 /nfs/dbraw/zinc/69/21/59/1042692159.db2.gz GINDPTKFFPUDFD-QZTJIDSGSA-N 1 3 310.466 4.046 20 0 DIADHO CCCCC1CCC([NH2+][C@@H](C)c2ccc(CN)nc2C)CC1 ZINC000422933601 1042693172 /nfs/dbraw/zinc/69/31/72/1042693172.db2.gz BLKBHYDMKKPTMN-OOHWJJMZSA-N 1 3 303.494 4.248 20 0 DIADHO C[C@H](N[C@H](c1ccccc1)[C@H]1CCCc2ccccc21)C1C[NH2+]C1 ZINC000423006906 1042695191 /nfs/dbraw/zinc/69/51/91/1042695191.db2.gz WTLISZFTXJPSDI-WQTXXOFMSA-N 1 3 320.480 4.045 20 0 DIADHO c1ccc(-c2ccc3c(c2)[C@@H](N[C@H]2CCC[NH2+]CC2)CC3)cc1 ZINC000423057828 1042696055 /nfs/dbraw/zinc/69/60/55/1042696055.db2.gz AWZKXQHWSMHJDH-FPOVZHCZSA-N 1 3 306.453 4.073 20 0 DIADHO CCC1(CC)CCC([NH2+][C@H](C)c2ccc(CN)nc2C)CC1 ZINC000423073736 1042696751 /nfs/dbraw/zinc/69/67/51/1042696751.db2.gz SCOIDVIMGBKNSG-CQSZACIVSA-N 1 3 303.494 4.248 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(C)CCC(C)(C)CC1 ZINC000423175505 1042699292 /nfs/dbraw/zinc/69/92/92/1042699292.db2.gz DSSGQUYGDLBAMH-AWEZNQCLSA-N 1 3 303.494 4.106 20 0 DIADHO Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423290576 1042704114 /nfs/dbraw/zinc/70/41/14/1042704114.db2.gz DOMUWUZJECDDAR-KXBFYZLASA-N 1 3 310.441 4.018 20 0 DIADHO CCCOc1ccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423291079 1042704362 /nfs/dbraw/zinc/70/43/62/1042704362.db2.gz GPPOOJBMXRWQDP-CVEARBPZSA-N 1 3 312.457 4.346 20 0 DIADHO CSc1ccccc1[C@@H](C)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423294512 1042705704 /nfs/dbraw/zinc/70/57/04/1042705704.db2.gz UOFLNHHDHPBNGU-ZIAGYGMSSA-N 1 3 300.471 4.279 20 0 DIADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000423294774 1042705773 /nfs/dbraw/zinc/70/57/73/1042705773.db2.gz VJDHIHDNYUBDJK-KPZWWZAWSA-N 1 3 300.833 4.137 20 0 DIADHO C[C@H](NCC1=CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000423344551 1042707064 /nfs/dbraw/zinc/70/70/64/1042707064.db2.gz NBQBBNUYBKWCJW-VIFPVBQESA-N 1 3 319.663 4.217 20 0 DIADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1cc(Cl)cc(Cl)c1 ZINC000423370951 1042707294 /nfs/dbraw/zinc/70/72/94/1042707294.db2.gz GDABUHXXVMUDCS-LLVKDONJSA-N 1 3 321.251 4.447 20 0 DIADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3c4ccccc4sc32)CC[NH2+]1 ZINC000423380304 1042709003 /nfs/dbraw/zinc/70/90/03/1042709003.db2.gz NSROUOHWOUFILX-WWGRRREGSA-N 1 3 300.471 4.009 20 0 DIADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c4ccccc4sc32)CCN1 ZINC000423380304 1042709010 /nfs/dbraw/zinc/70/90/10/1042709010.db2.gz NSROUOHWOUFILX-WWGRRREGSA-N 1 3 300.471 4.009 20 0 DIADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CCN1 ZINC000423369881 1042709730 /nfs/dbraw/zinc/70/97/30/1042709730.db2.gz CJQNSTPECNXDLC-HUHSQHJXSA-N 1 3 306.881 4.096 20 0 DIADHO C[C@@H](CCCC[NH3+])N[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423443137 1042712195 /nfs/dbraw/zinc/71/21/95/1042712195.db2.gz VLISMNQHRYEJFY-YWZLYKJASA-N 1 3 323.440 4.024 20 0 DIADHO C[C@H](CCCC[NH3+])N[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423443125 1042712314 /nfs/dbraw/zinc/71/23/14/1042712314.db2.gz VLISMNQHRYEJFY-FOIQADDNSA-N 1 3 323.440 4.024 20 0 DIADHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000423427108 1042713586 /nfs/dbraw/zinc/71/35/86/1042713586.db2.gz IDVLJZZEZKJSOU-STQMWFEESA-N 1 3 321.465 4.117 20 0 DIADHO CC1(C)Cc2occc2[C@H](N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000423503634 1042715563 /nfs/dbraw/zinc/71/55/63/1042715563.db2.gz MYFSSFQDFAFLGO-QZTJIDSGSA-N 1 3 312.457 4.363 20 0 DIADHO CC1(C)Cc2occc2[C@@H](N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000423503636 1042716087 /nfs/dbraw/zinc/71/60/87/1042716087.db2.gz MYFSSFQDFAFLGO-ROUUACIJSA-N 1 3 312.457 4.363 20 0 DIADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(F)c(F)c1 ZINC000423510884 1042716943 /nfs/dbraw/zinc/71/69/43/1042716943.db2.gz SQBPNJXDRXEPTP-FZKQIMNGSA-N 1 3 304.384 4.096 20 0 DIADHO C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC(C)(C)C1 ZINC001167967605 1042954216 /nfs/dbraw/zinc/95/42/16/1042954216.db2.gz IKLVASCBNYFUAU-WFDLBOFBSA-N 1 3 304.522 4.196 20 0 DIADHO C[C@@H](CC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167970928 1042961698 /nfs/dbraw/zinc/96/16/98/1042961698.db2.gz QHBNMVKWGJZXEP-FAXKSRBJSA-N 1 3 304.522 4.340 20 0 DIADHO CCCCC1CC[NH+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167988617 1043009491 /nfs/dbraw/zinc/00/94/91/1043009491.db2.gz SGRMAQFZGORREB-YOFSQIOKSA-N 1 3 304.522 4.294 20 0 DIADHO C[C@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccncc1 ZINC000174017137 1043058771 /nfs/dbraw/zinc/05/87/71/1043058771.db2.gz QJFUMPIXMVHCEQ-SFHVURJKSA-N 1 3 323.484 4.308 20 0 DIADHO COc1cccc([C@@H](C)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000177197688 1043104688 /nfs/dbraw/zinc/10/46/88/1043104688.db2.gz WPYVALLEROAAGQ-QGZVFWFLSA-N 1 3 324.468 4.142 20 0 DIADHO c1cc2cccc3c2c(c1)CC[C@H]3N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000866236813 1043164267 /nfs/dbraw/zinc/16/42/67/1043164267.db2.gz FJBAOKDZGAXUEM-QWFCFKBJSA-N 1 3 306.453 4.044 20 0 DIADHO c1cc2cccc3c2c(c1)CC[C@H]3N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000866236813 1043164272 /nfs/dbraw/zinc/16/42/72/1043164272.db2.gz FJBAOKDZGAXUEM-QWFCFKBJSA-N 1 3 306.453 4.044 20 0 DIADHO CN([C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168005209 1043247545 /nfs/dbraw/zinc/24/75/45/1043247545.db2.gz HZDPJEJKORWVGW-KXZRCVDZSA-N 1 3 310.485 4.011 20 0 DIADHO CN([C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168005209 1043247552 /nfs/dbraw/zinc/24/75/52/1043247552.db2.gz HZDPJEJKORWVGW-KXZRCVDZSA-N 1 3 310.485 4.011 20 0 DIADHO C[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(O)c1 ZINC000194838070 1043295193 /nfs/dbraw/zinc/29/51/93/1043295193.db2.gz XTOCMISVMRXLKC-QGZVFWFLSA-N 1 3 324.468 4.229 20 0 DIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](c1ccccc1F)C(C)C ZINC000665241048 1043300966 /nfs/dbraw/zinc/30/09/66/1043300966.db2.gz YTLMSGWCBYGKJK-LIRRHRJNSA-N 1 3 315.436 4.036 20 0 DIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](c1ccccc1F)C(C)C ZINC000665241047 1043302090 /nfs/dbraw/zinc/30/20/90/1043302090.db2.gz YTLMSGWCBYGKJK-KUHUBIRLSA-N 1 3 315.436 4.036 20 0 DIADHO Cc1nc(-c2ccccc2)sc1[C@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000665280988 1043374080 /nfs/dbraw/zinc/37/40/80/1043374080.db2.gz RAJWEFNLRVYZFI-XJKSGUPXSA-N 1 3 317.502 4.143 20 0 DIADHO CC(C)N1CCC([NH2+][C@@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000925303653 1043411052 /nfs/dbraw/zinc/41/10/52/1043411052.db2.gz PJSNDPREJMBJBQ-NSHDSACASA-N 1 3 320.424 4.290 20 0 DIADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2cnccc2C)c1 ZINC000271351943 1043412818 /nfs/dbraw/zinc/41/28/18/1043412818.db2.gz DLIJSFIYSNYWRK-KRWDZBQOSA-N 1 3 311.473 4.083 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1cnccc1C ZINC000271403418 1043413842 /nfs/dbraw/zinc/41/38/42/1043413842.db2.gz LXHCFVRPGYWSMX-KRWDZBQOSA-N 1 3 311.473 4.083 20 0 DIADHO CN(CCCSc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442777617 1043416347 /nfs/dbraw/zinc/41/63/47/1043416347.db2.gz JKKXTQMNHIQRQU-YIONKMFJSA-N 1 3 324.921 4.037 20 0 DIADHO C[C@@H]1C[C@@H](N[C@@H]2CC(C)(C)Sc3ccccc32)CC[N@@H+]1C ZINC000872040699 1043430836 /nfs/dbraw/zinc/43/08/36/1043430836.db2.gz ZSWYNCLTJVBRQC-IJEWVQPXSA-N 1 3 304.503 4.074 20 0 DIADHO C[C@@H]1C[C@@H](N[C@@H]2CC(C)(C)Sc3ccccc32)CC[N@H+]1C ZINC000872040699 1043430841 /nfs/dbraw/zinc/43/08/41/1043430841.db2.gz ZSWYNCLTJVBRQC-IJEWVQPXSA-N 1 3 304.503 4.074 20 0 DIADHO CC[C@H](CCC(F)(F)F)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000872041552 1043433169 /nfs/dbraw/zinc/43/31/69/1043433169.db2.gz UGDSCRGMQDOEKQ-CYBMUJFWSA-N 1 3 306.416 4.104 20 0 DIADHO CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000872052203 1043435384 /nfs/dbraw/zinc/43/53/84/1043435384.db2.gz MGCWXPWOHZFVHA-LSDHHAIUSA-N 1 3 308.432 4.065 20 0 DIADHO [NH3+]CCC[C@@H](NCc1ccc(C2CC2)cc1F)c1ccccc1 ZINC000925671188 1043450954 /nfs/dbraw/zinc/45/09/54/1043450954.db2.gz BUMAJEGPVVNMTL-HXUWFJFHSA-N 1 3 312.432 4.273 20 0 DIADHO COc1cccc(C2(N[C@H](C)c3cccc(C[NH+](C)C)c3)CC2)c1 ZINC000925897399 1043489052 /nfs/dbraw/zinc/48/90/52/1043489052.db2.gz MLDPBSCCLVPZGA-MRXNPFEDSA-N 1 3 324.468 4.097 20 0 DIADHO CC[N@H+](CCCN1CCCC1)Cc1cccc(-c2ccccn2)c1 ZINC000349384479 1043504296 /nfs/dbraw/zinc/50/42/96/1043504296.db2.gz PCKXFWVYTRVURR-UHFFFAOYSA-N 1 3 323.484 4.056 20 0 DIADHO CC[N@@H+](CCCN1CCCC1)Cc1cccc(-c2ccccn2)c1 ZINC000349384479 1043504302 /nfs/dbraw/zinc/50/43/02/1043504302.db2.gz PCKXFWVYTRVURR-UHFFFAOYSA-N 1 3 323.484 4.056 20 0 DIADHO CC(C)C[C@@H](C[NH2+]C[C@@H]1CCN(C(C)C)C1)c1ccccc1 ZINC000558419431 1043507265 /nfs/dbraw/zinc/50/72/65/1043507265.db2.gz WNGFWBSGQKOWMW-ICSRJNTNSA-N 1 3 302.506 4.136 20 0 DIADHO Cc1ccc(C)c2c1CCC[C@H]2NC1CC[NH+](C2CCC2)CC1 ZINC000349823865 1043527350 /nfs/dbraw/zinc/52/73/50/1043527350.db2.gz WNSNBYXLCTYPKP-HXUWFJFHSA-N 1 3 312.501 4.287 20 0 DIADHO CCC(CC)(C[NH2+][C@@H]1C[C@H](N)c2ccccc21)C(F)(F)F ZINC000873247208 1043528878 /nfs/dbraw/zinc/52/88/78/1043528878.db2.gz JLZXCSAJHBVWRL-UONOGXRCSA-N 1 3 300.368 4.090 20 0 DIADHO C[C@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000926510165 1043590876 /nfs/dbraw/zinc/59/08/76/1043590876.db2.gz KTEXUFMGPRYBOH-GQIGUUNPSA-N 1 3 324.468 4.311 20 0 DIADHO Cc1ccccc1C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccco1 ZINC000926538821 1043597666 /nfs/dbraw/zinc/59/76/66/1043597666.db2.gz CQGPXUONCTZQRJ-NXEWRWPSSA-N 1 3 324.468 4.087 20 0 DIADHO CCN1CCC[C@H](C[NH2+]Cc2ccccc2-c2ccccc2C)C1 ZINC001648960306 1043617995 /nfs/dbraw/zinc/61/79/95/1043617995.db2.gz NQDKOJPLSXUWOH-LJQANCHMSA-N 1 3 322.496 4.484 20 0 DIADHO CC[N@@H+]1CCC[C@H](CNCc2ccccc2-c2ccccc2C)C1 ZINC001648960306 1043618005 /nfs/dbraw/zinc/61/80/05/1043618005.db2.gz NQDKOJPLSXUWOH-LJQANCHMSA-N 1 3 322.496 4.484 20 0 DIADHO CC[N@H+]1CCC[C@H](CNCc2ccccc2-c2ccccc2C)C1 ZINC001648960306 1043618012 /nfs/dbraw/zinc/61/80/12/1043618012.db2.gz NQDKOJPLSXUWOH-LJQANCHMSA-N 1 3 322.496 4.484 20 0 DIADHO Cc1ccc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000354043832 1043676508 /nfs/dbraw/zinc/67/65/08/1043676508.db2.gz CGUGSQGQMDXADP-UHFFFAOYSA-N 1 3 324.468 4.076 20 0 DIADHO Cc1ccc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000354043832 1043676513 /nfs/dbraw/zinc/67/65/13/1043676513.db2.gz CGUGSQGQMDXADP-UHFFFAOYSA-N 1 3 324.468 4.076 20 0 DIADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](CC(C)C)c2ccccc2)C1 ZINC000474271899 1043718784 /nfs/dbraw/zinc/71/87/84/1043718784.db2.gz PCYKACPVZCFFEU-ICSRJNTNSA-N 1 3 302.506 4.090 20 0 DIADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](CC(C)C)c2ccccc2)C1 ZINC000474271899 1043718797 /nfs/dbraw/zinc/71/87/97/1043718797.db2.gz PCYKACPVZCFFEU-ICSRJNTNSA-N 1 3 302.506 4.090 20 0 DIADHO C[C@@H]1C[C@@H]([NH2+]CC2(CN(C)C)CCCC2)c2ccsc2S1 ZINC000355055159 1043741323 /nfs/dbraw/zinc/74/13/23/1043741323.db2.gz DDGGZIUZRVMTBI-UKRRQHHQSA-N 1 3 324.559 4.385 20 0 DIADHO C[C@H]1C[C@@H]([NH2+]CC2(CN(C)C)CCCC2)c2ccsc2S1 ZINC000355055153 1043743660 /nfs/dbraw/zinc/74/36/60/1043743660.db2.gz DDGGZIUZRVMTBI-DZGCQCFKSA-N 1 3 324.559 4.385 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2coc3ccc(F)cc23)CC1 ZINC001141858292 1043783361 /nfs/dbraw/zinc/78/33/61/1043783361.db2.gz HGLOLJHNMLZPJZ-UHFFFAOYSA-N 1 3 318.436 4.268 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2coc3ccc(F)cc23)CC1 ZINC001141858292 1043783370 /nfs/dbraw/zinc/78/33/70/1043783370.db2.gz HGLOLJHNMLZPJZ-UHFFFAOYSA-N 1 3 318.436 4.268 20 0 DIADHO C[C@H]1CC(N2Cc3ccccc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039313 1043854428 /nfs/dbraw/zinc/85/44/28/1043854428.db2.gz CWJZABIYYIXEJS-ROUUACIJSA-N 1 3 320.480 4.444 20 0 DIADHO CCN(CC)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474879973 1043965241 /nfs/dbraw/zinc/96/52/41/1043965241.db2.gz RNVNYGWJTSFQRZ-HZSPNIEDSA-N 1 3 314.926 4.215 20 0 DIADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000443854988 1044039865 /nfs/dbraw/zinc/03/98/65/1044039865.db2.gz OZUCROAYMGLHML-CGBFIWBNSA-N 1 3 304.522 4.221 20 0 DIADHO c1ccc2c(c1)nccc2N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443898731 1044053755 /nfs/dbraw/zinc/05/37/55/1044053755.db2.gz QZGLTPQOVHREGR-UHFFFAOYSA-N 1 3 323.484 4.327 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc2cccnc21 ZINC001137177936 1044166142 /nfs/dbraw/zinc/16/61/42/1044166142.db2.gz HWQMPMYQOMWGER-PMACEKPBSA-N 1 3 323.484 4.074 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc2cccnc21 ZINC001137177936 1044166147 /nfs/dbraw/zinc/16/61/47/1044166147.db2.gz HWQMPMYQOMWGER-PMACEKPBSA-N 1 3 323.484 4.074 20 0 DIADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cccc2cccnc21 ZINC001137177936 1044166154 /nfs/dbraw/zinc/16/61/54/1044166154.db2.gz HWQMPMYQOMWGER-PMACEKPBSA-N 1 3 323.484 4.074 20 0 DIADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cccc2cccnc21 ZINC001137177936 1044166160 /nfs/dbraw/zinc/16/61/60/1044166160.db2.gz HWQMPMYQOMWGER-PMACEKPBSA-N 1 3 323.484 4.074 20 0 DIADHO FC1(F)CCC[C@@H]1CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000883265037 1044253400 /nfs/dbraw/zinc/25/34/00/1044253400.db2.gz QJPLBULFHBKOCL-OAHLLOKOSA-N 1 3 314.464 4.199 20 0 DIADHO CCC[C@@H](NC1CC[NH+](C2CCC2)CC1)c1ccc(OC)cc1 ZINC000360508814 1044279240 /nfs/dbraw/zinc/27/92/40/1044279240.db2.gz AIQJYCDSEAWXFB-HXUWFJFHSA-N 1 3 316.489 4.143 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000563570862 1044283195 /nfs/dbraw/zinc/28/31/95/1044283195.db2.gz JUQIIEYZFYKPIY-LZQZEXGQSA-N 1 3 320.908 4.296 20 0 DIADHO C/C(=C\c1ccccc1)CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475297526 1044349067 /nfs/dbraw/zinc/34/90/67/1044349067.db2.gz XNABGCAMNZMLHT-SLTDHEAWSA-N 1 3 320.480 4.202 20 0 DIADHO C/C(=C\c1ccccc1)CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475297526 1044349082 /nfs/dbraw/zinc/34/90/82/1044349082.db2.gz XNABGCAMNZMLHT-SLTDHEAWSA-N 1 3 320.480 4.202 20 0 DIADHO C[NH+](C)CC[C@H](N[C@H]1CCSc2ccccc21)C(C)(C)C ZINC000361511977 1044412519 /nfs/dbraw/zinc/41/25/19/1044412519.db2.gz WDYBBFQTODKQTH-RDJZCZTQSA-N 1 3 306.519 4.180 20 0 DIADHO C[C@@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cccnc1 ZINC000112523672 1044441182 /nfs/dbraw/zinc/44/11/82/1044441182.db2.gz XHNWTTDBMRTYIN-GOSISDBHSA-N 1 3 323.484 4.164 20 0 DIADHO Cc1cscc1C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000565744576 1044454450 /nfs/dbraw/zinc/45/44/50/1044454450.db2.gz WYHLGICAXSCJCJ-FUHWJXTLSA-N 1 3 314.498 4.057 20 0 DIADHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCCc3ncccc32)c1 ZINC000631569282 1044482774 /nfs/dbraw/zinc/48/27/74/1044482774.db2.gz HQEDFTXRPWBKEL-NRFANRHFSA-N 1 3 323.484 4.091 20 0 DIADHO Cc1cc(Cl)cc(C)c1C[NH2+]C1CC(N2CCCCC2)C1 ZINC000475564357 1044506869 /nfs/dbraw/zinc/50/68/69/1044506869.db2.gz ALECGPBYNJHZKC-UHFFFAOYSA-N 1 3 306.881 4.063 20 0 DIADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(-c2ccncc2)c1 ZINC000295811949 1044560689 /nfs/dbraw/zinc/56/06/89/1044560689.db2.gz BCMJHVZSMDVAHI-YOYVGRRSSA-N 1 3 321.468 4.024 20 0 DIADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(-c2ccncc2)c1 ZINC000295811949 1044560698 /nfs/dbraw/zinc/56/06/98/1044560698.db2.gz BCMJHVZSMDVAHI-YOYVGRRSSA-N 1 3 321.468 4.024 20 0 DIADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000568329659 1044616555 /nfs/dbraw/zinc/61/65/55/1044616555.db2.gz AVZFMJWJDWWNQH-JXFKEZNVSA-N 1 3 316.464 4.082 20 0 DIADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(Cl)s1 ZINC000123618384 1044785246 /nfs/dbraw/zinc/78/52/46/1044785246.db2.gz SPEUSNRSRFVHDL-GFCCVEGCSA-N 1 3 308.878 4.314 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(F)c2)c1 ZINC000123980170 1044790920 /nfs/dbraw/zinc/79/09/20/1044790920.db2.gz TYRPSUKBSQJZST-HNNXBMFYSA-N 1 3 300.421 4.128 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2cccc(F)c2)c1 ZINC000123980170 1044790935 /nfs/dbraw/zinc/79/09/35/1044790935.db2.gz TYRPSUKBSQJZST-HNNXBMFYSA-N 1 3 300.421 4.128 20 0 DIADHO CC(C)c1cccc2c1OCCC[C@H]2NCc1ccc(C[NH3+])cc1 ZINC000576943529 1045090944 /nfs/dbraw/zinc/09/09/44/1045090944.db2.gz MAXHWRVUQWXSGY-HXUWFJFHSA-N 1 3 324.468 4.272 20 0 DIADHO CC(C)[NH+]1CCC(N[C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000035011936 1045092020 /nfs/dbraw/zinc/09/20/20/1045092020.db2.gz KKVBBMCMRQTOEQ-GOSISDBHSA-N 1 3 306.881 4.254 20 0 DIADHO C[C@@H](N[C@@H]1CCCOc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000924884155 1045208011 /nfs/dbraw/zinc/20/80/11/1045208011.db2.gz WPGIHVQKRBXMCC-OXQOHEQNSA-N 1 3 324.468 4.313 20 0 DIADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1cc2ccccc2[nH]1 ZINC000925216945 1045314680 /nfs/dbraw/zinc/31/46/80/1045314680.db2.gz LYKONXPLMXYNGI-HNNXBMFYSA-N 1 3 311.473 4.226 20 0 DIADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1cc2ccccc2[nH]1 ZINC000925216946 1045315143 /nfs/dbraw/zinc/31/51/43/1045315143.db2.gz LYKONXPLMXYNGI-OAHLLOKOSA-N 1 3 311.473 4.226 20 0 DIADHO Cc1ccccc1-c1ccccc1CN1CC[C@H](C[NH+](C)C)C1 ZINC000449036532 1045336672 /nfs/dbraw/zinc/33/66/72/1045336672.db2.gz UNEAQDPFPLXJSK-GOSISDBHSA-N 1 3 308.469 4.046 20 0 DIADHO C[C@H]1CSC[C@H]1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449323065 1045374473 /nfs/dbraw/zinc/37/44/73/1045374473.db2.gz RLZFHMBRKDWZMJ-GOEBONIOSA-N 1 3 312.567 4.007 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@H]2CCCc3c(F)cccc32)CC1 ZINC000449350814 1045380273 /nfs/dbraw/zinc/38/02/73/1045380273.db2.gz NMXINHSZMUPOKW-SFHVURJKSA-N 1 3 304.453 4.056 20 0 DIADHO C[C@H]1C[C@H]1c1ccc(CNC2CCC([NH+]3CCCCC3)CC2)o1 ZINC000751148565 1045585308 /nfs/dbraw/zinc/58/53/08/1045585308.db2.gz XALOAUQZSCDZRN-BOMAWHNGSA-N 1 3 316.489 4.290 20 0 DIADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc3ccccc3c2)C[C@@H]1C ZINC000530901853 1045747468 /nfs/dbraw/zinc/74/74/68/1045747468.db2.gz CXTOISUVDJAPJN-UWJYYQICSA-N 1 3 310.485 4.187 20 0 DIADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc3ccccc3c2)C[C@@H]1C ZINC000530901853 1045747479 /nfs/dbraw/zinc/74/74/79/1045747479.db2.gz CXTOISUVDJAPJN-UWJYYQICSA-N 1 3 310.485 4.187 20 0 DIADHO CC(C)Sc1ccc([C@@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000531689465 1045891879 /nfs/dbraw/zinc/89/18/79/1045891879.db2.gz FJSUXZBBXHUZJD-MRXNPFEDSA-N 1 3 306.519 4.324 20 0 DIADHO CC(C)Sc1ccc([C@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000531689464 1045892032 /nfs/dbraw/zinc/89/20/32/1045892032.db2.gz FJSUXZBBXHUZJD-INIZCTEOSA-N 1 3 306.519 4.324 20 0 DIADHO Cc1csc(CN[C@@H](CCCC[NH3+])c2ccc(F)cc2F)c1 ZINC000902387734 1045988097 /nfs/dbraw/zinc/98/80/97/1045988097.db2.gz KZMWRZCBXMXEEN-KRWDZBQOSA-N 1 3 324.440 4.295 20 0 DIADHO C[C@@H]1C[C@H](N[C@H](c2ccc(F)c(Cl)c2)C2CC2)CC[N@@H+]1C ZINC000453308373 1046028275 /nfs/dbraw/zinc/02/82/75/1046028275.db2.gz DLRURMMQQLYQHB-ZLENFMNRSA-N 1 3 310.844 4.003 20 0 DIADHO C[C@@H]1C[C@H](N[C@H](c2ccc(F)c(Cl)c2)C2CC2)CC[N@H+]1C ZINC000453308373 1046028293 /nfs/dbraw/zinc/02/82/93/1046028293.db2.gz DLRURMMQQLYQHB-ZLENFMNRSA-N 1 3 310.844 4.003 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000532214878 1046116275 /nfs/dbraw/zinc/11/62/75/1046116275.db2.gz YWEQIAUONJLJHY-KSSFIOAISA-N 1 3 306.881 4.037 20 0 DIADHO C[C@@H](Cc1ccc(Cl)cc1)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001168152301 1046168815 /nfs/dbraw/zinc/16/88/15/1046168815.db2.gz ONSMRIKDSGKYAD-ZDUSSCGKSA-N 1 3 308.897 4.251 20 0 DIADHO c1ccc([C@H](CC2CC2)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903137656 1046171966 /nfs/dbraw/zinc/17/19/66/1046171966.db2.gz OPBPQUGSSLVGFJ-KRIYCRJKSA-N 1 3 310.485 4.275 20 0 DIADHO c1ccc([C@H](CC2CC2)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903137656 1046171976 /nfs/dbraw/zinc/17/19/76/1046171976.db2.gz OPBPQUGSSLVGFJ-KRIYCRJKSA-N 1 3 310.485 4.275 20 0 DIADHO CC[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(Cl)s1 ZINC000635011166 1046173368 /nfs/dbraw/zinc/17/33/68/1046173368.db2.gz PGQDORFPNNXCJV-HNNXBMFYSA-N 1 3 320.889 4.288 20 0 DIADHO C[NH+](C)CC[C@H](N[C@H]1CCC[C@@H]1c1ccccc1)c1cccnc1 ZINC000903379682 1046260731 /nfs/dbraw/zinc/26/07/31/1046260731.db2.gz HYHYCQJDMIKWSG-HKBOAZHASA-N 1 3 323.484 4.000 20 0 DIADHO CC[N@H+](C[C@@H](N)CC(F)F)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908792 1046341111 /nfs/dbraw/zinc/34/11/11/1046341111.db2.gz PTKSDIQELAOOLA-GWCFXTLKSA-N 1 3 324.337 4.071 20 0 DIADHO CC[N@@H+](C[C@@H](N)CC(F)F)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908792 1046341122 /nfs/dbraw/zinc/34/11/22/1046341122.db2.gz PTKSDIQELAOOLA-GWCFXTLKSA-N 1 3 324.337 4.071 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCCc3sccc32)c1 ZINC000123964120 1046450705 /nfs/dbraw/zinc/45/07/05/1046450705.db2.gz BNYAXZRLOKHNGJ-SFHVURJKSA-N 1 3 314.498 4.367 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCCc3sccc32)c1 ZINC000123964120 1046450711 /nfs/dbraw/zinc/45/07/11/1046450711.db2.gz BNYAXZRLOKHNGJ-SFHVURJKSA-N 1 3 314.498 4.367 20 0 DIADHO Cc1csc(CN(C)CC2CC[NH+](C(C)C)CC2)c1Cl ZINC001137291078 1046489396 /nfs/dbraw/zinc/48/93/96/1046489396.db2.gz DBLVLVFZNPNXPU-UHFFFAOYSA-N 1 3 314.926 4.262 20 0 DIADHO Cc1ccsc1CNC1CC[NH+](Cc2ccccc2C)CC1 ZINC000097465588 1046544357 /nfs/dbraw/zinc/54/43/57/1046544357.db2.gz RAYDSXUHBUPQJP-UHFFFAOYSA-N 1 3 314.498 4.119 20 0 DIADHO CCN1CCC[C@@H](C[NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000678499868 1046649667 /nfs/dbraw/zinc/64/96/67/1046649667.db2.gz QJCKHDZAKICPBY-IBGZPJMESA-N 1 3 322.496 4.140 20 0 DIADHO CC[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc2cc(OC)ccc2c1 ZINC000643521427 1046669997 /nfs/dbraw/zinc/66/99/97/1046669997.db2.gz HSXPREOZOKMXJD-ICSRJNTNSA-N 1 3 312.457 4.031 20 0 DIADHO CC[C@H](NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000834789262 1046671939 /nfs/dbraw/zinc/67/19/39/1046671939.db2.gz BUPBNQIOXIUQKU-SFTDATJTSA-N 1 3 323.484 4.035 20 0 DIADHO CC[C@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000834789262 1046671948 /nfs/dbraw/zinc/67/19/48/1046671948.db2.gz BUPBNQIOXIUQKU-SFTDATJTSA-N 1 3 323.484 4.035 20 0 DIADHO CC[C@@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000834789260 1046672216 /nfs/dbraw/zinc/67/22/16/1046672216.db2.gz BUPBNQIOXIUQKU-NHCUHLMSSA-N 1 3 323.484 4.035 20 0 DIADHO CC[C@@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000834789260 1046672220 /nfs/dbraw/zinc/67/22/20/1046672220.db2.gz BUPBNQIOXIUQKU-NHCUHLMSSA-N 1 3 323.484 4.035 20 0 DIADHO C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000643548964 1046672989 /nfs/dbraw/zinc/67/29/89/1046672989.db2.gz YEEOOWUYMJCQES-ZOBORPQBSA-N 1 3 324.921 4.158 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678769169 1046696258 /nfs/dbraw/zinc/69/62/58/1046696258.db2.gz MUCVHXDARDISHY-HLIPFELVSA-N 1 3 300.490 4.020 20 0 DIADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678769169 1046696260 /nfs/dbraw/zinc/69/62/60/1046696260.db2.gz MUCVHXDARDISHY-HLIPFELVSA-N 1 3 300.490 4.020 20 0 DIADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678769169 1046696265 /nfs/dbraw/zinc/69/62/65/1046696265.db2.gz MUCVHXDARDISHY-HLIPFELVSA-N 1 3 300.490 4.020 20 0 DIADHO CC[C@H](N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000248405914 1046843162 /nfs/dbraw/zinc/84/31/62/1046843162.db2.gz RWEBBSUFGBSQKJ-KPFFTGBYSA-N 1 3 300.490 4.380 20 0 DIADHO CC[C@H](N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000248405914 1046843175 /nfs/dbraw/zinc/84/31/75/1046843175.db2.gz RWEBBSUFGBSQKJ-KPFFTGBYSA-N 1 3 300.490 4.380 20 0 DIADHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)c1ccccc1 ZINC000248405914 1046843190 /nfs/dbraw/zinc/84/31/90/1046843190.db2.gz RWEBBSUFGBSQKJ-KPFFTGBYSA-N 1 3 300.490 4.380 20 0 DIADHO C[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccncc1 ZINC000290017027 1046862934 /nfs/dbraw/zinc/86/29/34/1046862934.db2.gz CAQRHZPCIVKQNP-ICSRJNTNSA-N 1 3 323.484 4.035 20 0 DIADHO c1oc2ccccc2c1C[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001140786089 1046898322 /nfs/dbraw/zinc/89/83/22/1046898322.db2.gz YCHJKWLBXUVGKC-SFHVURJKSA-N 1 3 312.457 4.273 20 0 DIADHO c1oc2ccccc2c1C[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001140786089 1046898330 /nfs/dbraw/zinc/89/83/30/1046898330.db2.gz YCHJKWLBXUVGKC-SFHVURJKSA-N 1 3 312.457 4.273 20 0 DIADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000093515385 1046935631 /nfs/dbraw/zinc/93/56/31/1046935631.db2.gz XJNVSMNMZCENRO-LJISPDSOSA-N 1 3 306.416 4.008 20 0 DIADHO CC(C)C[C@@H]([NH2+]CC[C@@H](C)N1CCCCC1)c1ccncc1 ZINC000647299740 1046973958 /nfs/dbraw/zinc/97/39/58/1046973958.db2.gz CETVNEPVKDQQJA-IEBWSBKVSA-N 1 3 303.494 4.023 20 0 DIADHO Cc1ccc([C@@H](C)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC000647344704 1046986450 /nfs/dbraw/zinc/98/64/50/1046986450.db2.gz XMFNLYWCKBUPBZ-NXHRZFHOSA-N 1 3 314.498 4.053 20 0 DIADHO Cc1ccc([C@@H](C)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC000647344704 1046986451 /nfs/dbraw/zinc/98/64/51/1046986451.db2.gz XMFNLYWCKBUPBZ-NXHRZFHOSA-N 1 3 314.498 4.053 20 0 DIADHO C[C@H]1SCC[C@H]1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000647361552 1046992569 /nfs/dbraw/zinc/99/25/69/1046992569.db2.gz KYLSKGHOKBSAQD-GDBMZVCRSA-N 1 3 312.567 4.149 20 0 DIADHO Cc1ccoc1CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000536663613 1047054566 /nfs/dbraw/zinc/05/45/66/1047054566.db2.gz OYRVYFIOTAPGHG-QGZVFWFLSA-N 1 3 304.478 4.065 20 0 DIADHO Cc1ccoc1CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000536663613 1047054577 /nfs/dbraw/zinc/05/45/77/1047054577.db2.gz OYRVYFIOTAPGHG-QGZVFWFLSA-N 1 3 304.478 4.065 20 0 DIADHO Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379646897 1047088932 /nfs/dbraw/zinc/08/89/32/1047088932.db2.gz JQRIKUFUDAJGET-RXVVDRJESA-N 1 3 308.469 4.138 20 0 DIADHO Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379646897 1047088945 /nfs/dbraw/zinc/08/89/45/1047088945.db2.gz JQRIKUFUDAJGET-RXVVDRJESA-N 1 3 308.469 4.138 20 0 DIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000379640714 1047092491 /nfs/dbraw/zinc/09/24/91/1047092491.db2.gz CCJVSHSZFWCPOF-BBTUJRGHSA-N 1 3 308.469 4.390 20 0 DIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000379640714 1047092502 /nfs/dbraw/zinc/09/25/02/1047092502.db2.gz CCJVSHSZFWCPOF-BBTUJRGHSA-N 1 3 308.469 4.390 20 0 DIADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CCCC(F)(F)C3)CC2)C1 ZINC000536851609 1047111837 /nfs/dbraw/zinc/11/18/37/1047111837.db2.gz LRTRVCJNLLGLIS-HYVNUMGLSA-N 1 3 314.464 4.197 20 0 DIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CCCC(F)(F)C3)CC2)C1 ZINC000536851609 1047111841 /nfs/dbraw/zinc/11/18/41/1047111841.db2.gz LRTRVCJNLLGLIS-HYVNUMGLSA-N 1 3 314.464 4.197 20 0 DIADHO C[C@@H](c1nc2ccccc2s1)N(C)CCCC1CC[NH2+]CC1 ZINC000649411103 1047126505 /nfs/dbraw/zinc/12/65/05/1047126505.db2.gz RBYHHINWXZXKGM-AWEZNQCLSA-N 1 3 317.502 4.069 20 0 DIADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1cc(F)cc(F)c1 ZINC000423494294 1047150962 /nfs/dbraw/zinc/15/09/62/1047150962.db2.gz APVINRBACIXKCQ-SCLBCKFNSA-N 1 3 304.384 4.096 20 0 DIADHO CC(C)[C@@H](NC1CC[NH+](C2CC2)CC1)c1cc2ccccc2o1 ZINC000537351800 1047174509 /nfs/dbraw/zinc/17/45/09/1047174509.db2.gz JZGQWSGLEOJPSB-HXUWFJFHSA-N 1 3 312.457 4.346 20 0 DIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC001118060314 1047255279 /nfs/dbraw/zinc/25/52/79/1047255279.db2.gz YMNTURUNOHAMNX-GHMZBOCLSA-N 1 3 321.827 4.053 20 0 DIADHO CC[N@@H+]1CCC[C@H](CN[C@@H](c2cccnc2)C2CCCCC2)C1 ZINC001118246265 1047276274 /nfs/dbraw/zinc/27/62/74/1047276274.db2.gz PBTFMCIFJWUHQL-YLJYHZDGSA-N 1 3 315.505 4.025 20 0 DIADHO CC[N@H+]1CCC[C@H](CN[C@@H](c2cccnc2)C2CCCCC2)C1 ZINC001118246265 1047276284 /nfs/dbraw/zinc/27/62/84/1047276284.db2.gz PBTFMCIFJWUHQL-YLJYHZDGSA-N 1 3 315.505 4.025 20 0 DIADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255688560 1047418425 /nfs/dbraw/zinc/41/84/25/1047418425.db2.gz BMQIUPLSRWGHQN-AAEUAGOBSA-N 1 3 306.416 4.088 20 0 DIADHO C/C(=C\c1ccc(Cl)cc1)CNC[C@@H]1CCCC[N@@H+](C)C1 ZINC001203136743 1047549584 /nfs/dbraw/zinc/54/95/84/1047549584.db2.gz SRGRAJXVGDLDLF-JMPLCFMRSA-N 1 3 306.881 4.065 20 0 DIADHO C/C(=C\c1ccc(Cl)cc1)CNC[C@@H]1CCCC[N@H+](C)C1 ZINC001203136743 1047549591 /nfs/dbraw/zinc/54/95/91/1047549591.db2.gz SRGRAJXVGDLDLF-JMPLCFMRSA-N 1 3 306.881 4.065 20 0 DIADHO Cc1csc2sc(CN3CCCC[C@H](C[NH3+])C3)c(C)c12 ZINC001206631842 1047568227 /nfs/dbraw/zinc/56/82/27/1047568227.db2.gz AWUGBGXFIGMMMY-CYBMUJFWSA-N 1 3 308.516 4.140 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CC(C)(C)c2ccccc2)C1 ZINC000314961586 1047591631 /nfs/dbraw/zinc/59/16/31/1047591631.db2.gz UWAFAHHRZDUCQX-ZWKOTPCHSA-N 1 3 302.506 4.063 20 0 DIADHO Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995658 1047611636 /nfs/dbraw/zinc/61/16/36/1047611636.db2.gz VPNHZGJKDXHSNZ-HFTRVMKXSA-N 1 3 318.892 4.240 20 0 DIADHO Cc1cc(CN2CCCC[C@H](C[NH3+])C2)ccc1Oc1ccccc1 ZINC001206649334 1047631653 /nfs/dbraw/zinc/63/16/53/1047631653.db2.gz URJKJXBDKQIBNF-LJQANCHMSA-N 1 3 324.468 4.348 20 0 DIADHO Cc1cc(CN2CCCC[C@@H](C[NH3+])C2)ccc1Oc1ccccc1 ZINC001206649333 1047632033 /nfs/dbraw/zinc/63/20/33/1047632033.db2.gz URJKJXBDKQIBNF-IBGZPJMESA-N 1 3 324.468 4.348 20 0 DIADHO CCC[N@@H+]1CC[C@@H](CN[C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000538101080 1047657028 /nfs/dbraw/zinc/65/70/28/1047657028.db2.gz OPANEAWIXUSSJK-KSSFIOAISA-N 1 3 306.881 4.113 20 0 DIADHO CCC[N@H+]1CC[C@@H](CN[C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000538101080 1047657031 /nfs/dbraw/zinc/65/70/31/1047657031.db2.gz OPANEAWIXUSSJK-KSSFIOAISA-N 1 3 306.881 4.113 20 0 DIADHO Cc1ccc([C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C2CC2)cc1 ZINC000538099168 1047657197 /nfs/dbraw/zinc/65/71/97/1047657197.db2.gz RUJVHEQRXXGMBJ-XLIONFOSSA-N 1 3 300.490 4.156 20 0 DIADHO Cc1ccc([C@H](NC[C@H]2CCC[N@@H+](C(C)C)C2)C2CC2)cc1 ZINC000538099168 1047657200 /nfs/dbraw/zinc/65/72/00/1047657200.db2.gz RUJVHEQRXXGMBJ-XLIONFOSSA-N 1 3 300.490 4.156 20 0 DIADHO Cc1ccc([C@H](NC[C@H]2CCC[N@H+](C(C)C)C2)C2CC2)cc1 ZINC000538099168 1047657205 /nfs/dbraw/zinc/65/72/05/1047657205.db2.gz RUJVHEQRXXGMBJ-XLIONFOSSA-N 1 3 300.490 4.156 20 0 DIADHO CCC[N@@H+]1CC[C@H](CN[C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000538101081 1047657605 /nfs/dbraw/zinc/65/76/05/1047657605.db2.gz OPANEAWIXUSSJK-RDTXWAMCSA-N 1 3 306.881 4.113 20 0 DIADHO CCC[N@H+]1CC[C@H](CN[C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000538101081 1047657611 /nfs/dbraw/zinc/65/76/11/1047657611.db2.gz OPANEAWIXUSSJK-RDTXWAMCSA-N 1 3 306.881 4.113 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000539093669 1047735574 /nfs/dbraw/zinc/73/55/74/1047735574.db2.gz RMDCUPAFTHQSNH-LJQANCHMSA-N 1 3 300.490 4.380 20 0 DIADHO CC(C)(C)[NH+]1CCC(N[C@H](CC2CC2)c2ccccc2)CC1 ZINC000539093669 1047735579 /nfs/dbraw/zinc/73/55/79/1047735579.db2.gz RMDCUPAFTHQSNH-LJQANCHMSA-N 1 3 300.490 4.380 20 0 DIADHO CC(C)(C)C[N@H+](C1CCNCC1)C(C)(C)c1ccnc(Cl)c1 ZINC001157892165 1047762737 /nfs/dbraw/zinc/76/27/37/1047762737.db2.gz LBIILPQAPHWLTE-UHFFFAOYSA-N 1 3 323.912 4.070 20 0 DIADHO CC(C)(C)C[N@@H+](C1CCNCC1)C(C)(C)c1ccnc(Cl)c1 ZINC001157892165 1047762741 /nfs/dbraw/zinc/76/27/41/1047762741.db2.gz LBIILPQAPHWLTE-UHFFFAOYSA-N 1 3 323.912 4.070 20 0 DIADHO CCCCN1CCC([NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000479192720 1047842448 /nfs/dbraw/zinc/84/24/48/1047842448.db2.gz MFTJOKSTLLRAPU-GOSISDBHSA-N 1 3 306.881 4.181 20 0 DIADHO CC(C)CN1CCC([NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000479249416 1047854063 /nfs/dbraw/zinc/85/40/63/1047854063.db2.gz QVLWKEWPCFXYKR-GOSISDBHSA-N 1 3 306.881 4.037 20 0 DIADHO C[C@@H](CN[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(F)cc(F)c1 ZINC001182961466 1047868745 /nfs/dbraw/zinc/86/87/45/1047868745.db2.gz YYHIHPOSONXJPZ-KSSFIOAISA-N 1 3 322.443 4.065 20 0 DIADHO C[C@@H](CN[C@H]1CC[N@H+](C2CCCCC2)C1)c1cc(F)cc(F)c1 ZINC001182961466 1047868763 /nfs/dbraw/zinc/86/87/63/1047868763.db2.gz YYHIHPOSONXJPZ-KSSFIOAISA-N 1 3 322.443 4.065 20 0 DIADHO [NH3+]Cc1ccccc1Nc1ccc(CN2CCCCC2)c(F)c1 ZINC001159734634 1047912660 /nfs/dbraw/zinc/91/26/60/1047912660.db2.gz FCWUUOWZZMNNQI-UHFFFAOYSA-N 1 3 313.420 4.014 20 0 DIADHO C[C@]1([NH3+])CCCN(Cc2cc(-c3ccsc3)cs2)CC1 ZINC001205288096 1047991553 /nfs/dbraw/zinc/99/15/53/1047991553.db2.gz FYIPMLAMFHTEPV-INIZCTEOSA-N 1 3 306.500 4.180 20 0 DIADHO Cc1nc2ccc(Nc3ccc(C[C@H]4CCC[NH2+]C4)cc3)cc2[nH]1 ZINC001160265284 1048015537 /nfs/dbraw/zinc/01/55/37/1048015537.db2.gz NONZWDNQJVTDQA-MRXNPFEDSA-N 1 3 320.440 4.157 20 0 DIADHO CCCCOCCN(CCCC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174982941 1048080103 /nfs/dbraw/zinc/08/01/03/1048080103.db2.gz BFGJTLWVWKKBIO-UHFFFAOYSA-N 1 3 312.542 4.214 20 0 DIADHO c1ccc(C2(CNC3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000480203738 1048090364 /nfs/dbraw/zinc/09/03/64/1048090364.db2.gz WKAQKKAHICZNEN-UHFFFAOYSA-N 1 3 312.501 4.105 20 0 DIADHO c1ccc(C2(C[NH2+]C3CCN(C4CCCCC4)CC3)CC2)cc1 ZINC000480203738 1048090374 /nfs/dbraw/zinc/09/03/74/1048090374.db2.gz WKAQKKAHICZNEN-UHFFFAOYSA-N 1 3 312.501 4.105 20 0 DIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000554736961 1048168291 /nfs/dbraw/zinc/16/82/91/1048168291.db2.gz CZUBLVRVLDEGDS-CLCXKQKWSA-N 1 3 311.473 4.008 20 0 DIADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cc(F)ccc1F ZINC000480607994 1048192288 /nfs/dbraw/zinc/19/22/88/1048192288.db2.gz KKOGQSXTHKIIFC-CABCVRRESA-N 1 3 310.432 4.128 20 0 DIADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cc(F)ccc1F ZINC000480607994 1048192292 /nfs/dbraw/zinc/19/22/92/1048192292.db2.gz KKOGQSXTHKIIFC-CABCVRRESA-N 1 3 310.432 4.128 20 0 DIADHO CC[C@H](c1ccc(F)cc1F)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001175211941 1048197187 /nfs/dbraw/zinc/19/71/87/1048197187.db2.gz YPQFPWLGQVVHPJ-GOSISDBHSA-N 1 3 322.443 4.224 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(-c3ccccc3)c2)C1 ZINC000481296747 1048354355 /nfs/dbraw/zinc/35/43/55/1048354355.db2.gz URAVNERIUWYVDY-ROUUACIJSA-N 1 3 308.469 4.346 20 0 DIADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cccc(-c3ccccc3)c2)C1 ZINC000481296747 1048354365 /nfs/dbraw/zinc/35/43/65/1048354365.db2.gz URAVNERIUWYVDY-ROUUACIJSA-N 1 3 308.469 4.346 20 0 DIADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2cccc(-c3ccccc3)c2)C1 ZINC000481296747 1048354381 /nfs/dbraw/zinc/35/43/81/1048354381.db2.gz URAVNERIUWYVDY-ROUUACIJSA-N 1 3 308.469 4.346 20 0 DIADHO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC001206680608 1048402491 /nfs/dbraw/zinc/40/24/91/1048402491.db2.gz NZYWOWLYDASBLU-ROUUACIJSA-N 1 3 302.506 4.064 20 0 DIADHO CC(C)Sc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3)cc1 ZINC000555598175 1048402706 /nfs/dbraw/zinc/40/27/06/1048402706.db2.gz PUGQLHXFDPQKSQ-IBGZPJMESA-N 1 3 318.530 4.105 20 0 DIADHO CC(C)Sc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3)cc1 ZINC000555598175 1048402709 /nfs/dbraw/zinc/40/27/09/1048402709.db2.gz PUGQLHXFDPQKSQ-IBGZPJMESA-N 1 3 318.530 4.105 20 0 DIADHO C[C@H](NC1CC[NH+](C2CCC2)CC1)c1ccc2c(c1)CCCC2 ZINC000481441332 1048403802 /nfs/dbraw/zinc/40/38/02/1048403802.db2.gz VVFUENWURLETNL-INIZCTEOSA-N 1 3 312.501 4.233 20 0 DIADHO Cc1cc(C)c([C@@H](C)NC2CC[NH+](C3CCC3)CC2)cc1C ZINC000481442136 1048404818 /nfs/dbraw/zinc/40/48/18/1048404818.db2.gz VWDHFGNYANTSML-QGZVFWFLSA-N 1 3 300.490 4.279 20 0 DIADHO Cc1cc(C)c([C@H](C)NC2CC[NH+](C3CCC3)CC2)cc1C ZINC000481442134 1048404972 /nfs/dbraw/zinc/40/49/72/1048404972.db2.gz VWDHFGNYANTSML-KRWDZBQOSA-N 1 3 300.490 4.279 20 0 DIADHO Cc1cccc(-c2cccc(CN[C@H]3CC[N@@H+](C)C[C@H]3C)c2)c1 ZINC000481935507 1048533187 /nfs/dbraw/zinc/53/31/87/1048533187.db2.gz YTRZFXARXLLPFB-UTKZUKDTSA-N 1 3 308.469 4.092 20 0 DIADHO Cc1cccc(-c2cccc(CN[C@H]3CC[N@H+](C)C[C@H]3C)c2)c1 ZINC000481935507 1048533199 /nfs/dbraw/zinc/53/31/99/1048533199.db2.gz YTRZFXARXLLPFB-UTKZUKDTSA-N 1 3 308.469 4.092 20 0 DIADHO CCC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc(OC)cc1 ZINC000482340553 1048590050 /nfs/dbraw/zinc/59/00/50/1048590050.db2.gz ATOXMFDLGKKADR-XLIONFOSSA-N 1 3 318.505 4.246 20 0 DIADHO Cc1cccc(C[C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C2CC2)c1 ZINC000482341725 1048590097 /nfs/dbraw/zinc/59/00/97/1048590097.db2.gz CFSDVNCPSZFLKN-TZIWHRDSSA-N 1 3 314.517 4.026 20 0 DIADHO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000482352182 1048590451 /nfs/dbraw/zinc/59/04/51/1048590451.db2.gz AIVMOGZNBUIYGH-UYAOXDASSA-N 1 3 320.496 4.103 20 0 DIADHO CCC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc(OC)cc1 ZINC000482340551 1048590637 /nfs/dbraw/zinc/59/06/37/1048590637.db2.gz ATOXMFDLGKKADR-FXAWDEMLSA-N 1 3 318.505 4.246 20 0 DIADHO Cc1nc(C2CC[NH+](Cc3ccsc3Cl)CC2)[nH]c1C ZINC001176201109 1048601832 /nfs/dbraw/zinc/60/18/32/1048601832.db2.gz FEBIJHURPQLVKV-UHFFFAOYSA-N 1 3 309.866 4.121 20 0 DIADHO COc1ccc([C@H](C)[NH2+][C@H]2C=CCC2)cc1CN1CCCCC1 ZINC000850508159 1048673321 /nfs/dbraw/zinc/67/33/21/1048673321.db2.gz IBRJRYMTBSNVBC-LPHOPBHVSA-N 1 3 314.473 4.050 20 0 DIADHO CCCCCC[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000850517235 1048675178 /nfs/dbraw/zinc/67/51/78/1048675178.db2.gz WLJASWCVRXILOI-GOSISDBHSA-N 1 3 317.521 4.242 20 0 DIADHO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775367528 1048709618 /nfs/dbraw/zinc/70/96/18/1048709618.db2.gz WTUCHRGCTQJUHA-CVEARBPZSA-N 1 3 304.478 4.130 20 0 DIADHO C[C@H](CC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccccc1 ZINC000194608069 1048763057 /nfs/dbraw/zinc/76/30/57/1048763057.db2.gz BQOSSJTWHHPZRY-QWFCFKBJSA-N 1 3 314.517 4.423 20 0 DIADHO Cc1ccc([C@@H](C)C[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000483293031 1048768077 /nfs/dbraw/zinc/76/80/77/1048768077.db2.gz CCHSTVJIFAVEDX-SFHVURJKSA-N 1 3 314.517 4.485 20 0 DIADHO CC[C@H](CC(F)F)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001190650760 1048772638 /nfs/dbraw/zinc/77/26/38/1048772638.db2.gz GDILJWNMMKHYHF-IAGOWNOFSA-N 1 3 316.480 4.112 20 0 DIADHO COc1ccc([C@@H](C)[NH2+]CC2(C)CC2)cc1CN1CCCCC1 ZINC000775412500 1048789414 /nfs/dbraw/zinc/78/94/14/1048789414.db2.gz NNIHOKSNKVLTNU-MRXNPFEDSA-N 1 3 316.489 4.132 20 0 DIADHO C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000483495364 1048806605 /nfs/dbraw/zinc/80/66/05/1048806605.db2.gz YTOSEDBBLDIPMZ-CZAAIQMYSA-N 1 3 308.469 4.317 20 0 DIADHO C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000483495364 1048806625 /nfs/dbraw/zinc/80/66/25/1048806625.db2.gz YTOSEDBBLDIPMZ-CZAAIQMYSA-N 1 3 308.469 4.317 20 0 DIADHO CN1CCC[C@@H]2C[N@H+](CCCc3cccc4ccccc43)CC[C@@H]21 ZINC000483494398 1048809656 /nfs/dbraw/zinc/80/96/56/1048809656.db2.gz USAFJNDUOPKTFG-IRLDBZIGSA-N 1 3 322.496 4.189 20 0 DIADHO CN1CCC[C@@H]2C[N@@H+](CCCc3cccc4ccccc43)CC[C@@H]21 ZINC000483494398 1048809664 /nfs/dbraw/zinc/80/96/64/1048809664.db2.gz USAFJNDUOPKTFG-IRLDBZIGSA-N 1 3 322.496 4.189 20 0 DIADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2sccc2Cl)C1 ZINC001177290784 1048857427 /nfs/dbraw/zinc/85/74/27/1048857427.db2.gz XWXBVLADNLFIGH-ZIAGYGMSSA-N 1 3 314.926 4.249 20 0 DIADHO Cc1cc(C)c(/C=C\C[NH2+]C2CCN(CC3CC3)CC2)c(C)c1 ZINC001177333946 1048873171 /nfs/dbraw/zinc/87/31/71/1048873171.db2.gz IHJFATQAODGAIC-PLNGDYQASA-N 1 3 312.501 4.089 20 0 DIADHO Cc1cc(C)c([C@@H](C)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(C)c1 ZINC001191255183 1048897268 /nfs/dbraw/zinc/89/72/68/1048897268.db2.gz CECIOLBAVLARTH-MOPGFXCFSA-N 1 3 302.506 4.479 20 0 DIADHO Cc1cc(C)c([C@@H](C)N(C)CC[C@@H]2CCCC[N@H+]2C)c(C)c1 ZINC001191255183 1048897278 /nfs/dbraw/zinc/89/72/78/1048897278.db2.gz CECIOLBAVLARTH-MOPGFXCFSA-N 1 3 302.506 4.479 20 0 DIADHO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC[C@@H]2CCCN2C)o1 ZINC001191260079 1048898714 /nfs/dbraw/zinc/89/87/14/1048898714.db2.gz ZFSWUDGQLRVLJI-RYRKJORJSA-N 1 3 304.478 4.099 20 0 DIADHO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CC[C@@H]2CCCN2C)o1 ZINC001191260079 1048898728 /nfs/dbraw/zinc/89/87/28/1048898728.db2.gz ZFSWUDGQLRVLJI-RYRKJORJSA-N 1 3 304.478 4.099 20 0 DIADHO CC(C)Cc1ccc(C[N@H+](C)CC[C@H]2CCCCN2C)cc1 ZINC001191260117 1048900022 /nfs/dbraw/zinc/90/00/22/1048900022.db2.gz ZTGKNDQLNBNAMV-HXUWFJFHSA-N 1 3 302.506 4.191 20 0 DIADHO CC(C)Cc1ccc(C[N@@H+](C)CC[C@H]2CCCCN2C)cc1 ZINC001191260117 1048900032 /nfs/dbraw/zinc/90/00/32/1048900032.db2.gz ZTGKNDQLNBNAMV-HXUWFJFHSA-N 1 3 302.506 4.191 20 0 DIADHO C[C@@H]1CC[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C[C@H]1C ZINC001177581650 1048919530 /nfs/dbraw/zinc/91/95/30/1048919530.db2.gz NVFLNNKYQWSKID-HLIPFELVSA-N 1 3 306.538 4.445 20 0 DIADHO CCS[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000484308560 1048924584 /nfs/dbraw/zinc/92/45/84/1048924584.db2.gz MMKNKPXXGCJPHF-RTBURBONSA-N 1 3 324.578 4.437 20 0 DIADHO CSc1ccccc1[C@@H](C)NCc1ccc(C[NH+](C)C)cc1 ZINC000194836676 1048932423 /nfs/dbraw/zinc/93/24/23/1048932423.db2.gz XYZXOYDPOWMGGG-OAHLLOKOSA-N 1 3 314.498 4.321 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(-c2ccncc2)cc1 ZINC000484492252 1048945983 /nfs/dbraw/zinc/94/59/83/1048945983.db2.gz MSXOGUQFEKCIFS-ZLGUVYLKSA-N 1 3 323.484 4.272 20 0 DIADHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1ccc(SC(F)F)cc1 ZINC000854229943 1048954192 /nfs/dbraw/zinc/95/41/92/1048954192.db2.gz BCLLAVHKCZOHDS-BXUZGUMPSA-N 1 3 302.434 4.025 20 0 DIADHO Cc1cccc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)c1 ZINC001203895339 1049025585 /nfs/dbraw/zinc/02/55/85/1049025585.db2.gz WGTUAYWKQOBYDZ-UHFFFAOYSA-N 1 3 320.480 4.093 20 0 DIADHO Cc1cc2cc(C[NH2+]CC3(CN(C)C)CCCC3)oc2cc1C ZINC001178448809 1049034110 /nfs/dbraw/zinc/03/41/10/1049034110.db2.gz CZZYHMOIJXTPKB-UHFFFAOYSA-N 1 3 314.473 4.261 20 0 DIADHO Cc1ccc([C@H](C)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000195132148 1049070942 /nfs/dbraw/zinc/07/09/42/1049070942.db2.gz YMYSLWZTYDQSKP-WMZOPIPTSA-N 1 3 314.498 4.229 20 0 DIADHO Cc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000195132148 1049070952 /nfs/dbraw/zinc/07/09/52/1049070952.db2.gz YMYSLWZTYDQSKP-WMZOPIPTSA-N 1 3 314.498 4.229 20 0 DIADHO CC(C)c1cccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC001192324793 1049079785 /nfs/dbraw/zinc/07/97/85/1049079785.db2.gz LURIUJXBCNIBIK-PZJWPPBQSA-N 1 3 312.501 4.259 20 0 DIADHO CC(C)c1cccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC001192324793 1049079801 /nfs/dbraw/zinc/07/98/01/1049079801.db2.gz LURIUJXBCNIBIK-PZJWPPBQSA-N 1 3 312.501 4.259 20 0 DIADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1C[C@H]1C1CCCC1 ZINC001204087427 1049082507 /nfs/dbraw/zinc/08/25/07/1049082507.db2.gz BLWUNLFVRBMWCV-PXNSSMCTSA-N 1 3 304.522 4.199 20 0 DIADHO Cc1ccc(C[NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)cc1 ZINC001204173228 1049105035 /nfs/dbraw/zinc/10/50/35/1049105035.db2.gz WZKMGJJSRWVKKU-UHFFFAOYSA-N 1 3 324.468 4.076 20 0 DIADHO CC(C)[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000716710925 1049145714 /nfs/dbraw/zinc/14/57/14/1049145714.db2.gz YXUDZBZPOLGKJQ-VMXMFDLUSA-N 1 3 312.501 4.064 20 0 DIADHO CC[C@@H]1CCC[C@@H](N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC001179637150 1049190875 /nfs/dbraw/zinc/19/08/75/1049190875.db2.gz UFLDWONOQPLKHF-QRQLOZEOSA-N 1 3 303.494 4.023 20 0 DIADHO CC(C)C1=NCCc2ccc(-c3ccc(C[NH+](C)C)cc3)cc21 ZINC001204653786 1049210897 /nfs/dbraw/zinc/21/08/97/1049210897.db2.gz CDVXYPYPSLYWND-UHFFFAOYSA-N 1 3 306.453 4.416 20 0 DIADHO CCN(CC)Cc1ccc(-c2ccc(C[NH+](C)C)cc2)cc1F ZINC001204661333 1049216627 /nfs/dbraw/zinc/21/66/27/1049216627.db2.gz XSQPCPGLPMBDEZ-UHFFFAOYSA-N 1 3 314.448 4.396 20 0 DIADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(C)(C)C)cc1 ZINC000195651616 1049244254 /nfs/dbraw/zinc/24/42/54/1049244254.db2.gz BBENRTRHLUTFRK-JKSUJKDBSA-N 1 3 300.490 4.119 20 0 DIADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C(C)(C)C)cc1 ZINC000195651616 1049244266 /nfs/dbraw/zinc/24/42/66/1049244266.db2.gz BBENRTRHLUTFRK-JKSUJKDBSA-N 1 3 300.490 4.119 20 0 DIADHO c1nc2c(s1)CCC[C@H]2NCCCCCCC[NH+]1CCCC1 ZINC000858362005 1049247331 /nfs/dbraw/zinc/24/73/31/1049247331.db2.gz KPYICJVQWPDQHJ-MRXNPFEDSA-N 1 3 321.534 4.156 20 0 DIADHO COc1c(C)cc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1Cl ZINC000858491100 1049264269 /nfs/dbraw/zinc/26/42/69/1049264269.db2.gz YCOPIGDDKHYMMA-HUUCEWRRSA-N 1 3 324.896 4.040 20 0 DIADHO Cc1cc(Cl)cc(CN2CCC(CCC[NH+](C)C)CC2)c1 ZINC001180052713 1049265432 /nfs/dbraw/zinc/26/54/32/1049265432.db2.gz UETRIQNDHAVRTO-UHFFFAOYSA-N 1 3 308.897 4.202 20 0 DIADHO CCc1cccc(Cl)c1CN1CCC(C[NH+](CC)CC)CC1 ZINC001180123582 1049291199 /nfs/dbraw/zinc/29/11/99/1049291199.db2.gz BZUZZTJZJHEAAN-UHFFFAOYSA-N 1 3 322.924 4.456 20 0 DIADHO Cc1occc1CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001180225154 1049309461 /nfs/dbraw/zinc/30/94/61/1049309461.db2.gz ONFJJSGIFBGWMB-INIZCTEOSA-N 1 3 304.478 4.065 20 0 DIADHO Cc1occc1CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001180225154 1049309478 /nfs/dbraw/zinc/30/94/78/1049309478.db2.gz ONFJJSGIFBGWMB-INIZCTEOSA-N 1 3 304.478 4.065 20 0 DIADHO CCn1c2ccccc2c2cc(C[N@@H+]3CCCC[C@@H]3CN)ccc21 ZINC001204925001 1049311958 /nfs/dbraw/zinc/31/19/58/1049311958.db2.gz IKRJTVWHDALCRP-QGZVFWFLSA-N 1 3 321.468 4.128 20 0 DIADHO CCn1c2ccccc2c2cc(C[N@H+]3CCCC[C@@H]3CN)ccc21 ZINC001204925001 1049311963 /nfs/dbraw/zinc/31/19/63/1049311963.db2.gz IKRJTVWHDALCRP-QGZVFWFLSA-N 1 3 321.468 4.128 20 0 DIADHO [NH3+]CC1CCN(Cc2ccc(-c3ccccc3)cc2Cl)CC1 ZINC001205058041 1049358401 /nfs/dbraw/zinc/35/84/01/1049358401.db2.gz DFBIWCFWLXQFJF-UHFFFAOYSA-N 1 3 314.860 4.178 20 0 DIADHO Cc1cc(Oc2ccccc2)ccc1CN1CCC[C@@H]([NH3+])CC1 ZINC001205123925 1049385788 /nfs/dbraw/zinc/38/57/88/1049385788.db2.gz HKGDQDSOGGVIRT-GOSISDBHSA-N 1 3 310.441 4.101 20 0 DIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C2(C3CC3)CC2)ccc1OC ZINC000777145836 1049399685 /nfs/dbraw/zinc/39/96/85/1049399685.db2.gz IZVYIBMQECXVLE-OAHLLOKOSA-N 1 3 316.489 4.130 20 0 DIADHO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC001205385393 1049455680 /nfs/dbraw/zinc/45/56/80/1049455680.db2.gz DTZUMTHPBXQNNX-NCXUSEDFSA-N 1 3 306.538 4.445 20 0 DIADHO Cc1ccc(Cl)c(CN2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1Cl ZINC001205651785 1049523583 /nfs/dbraw/zinc/52/35/83/1049523583.db2.gz JWQYRVQKYFUQDO-AAEUAGOBSA-N 1 3 315.288 4.109 20 0 DIADHO CCN(CCC[NH+](CC)CC)C[C@@H](C)c1cccc(Cl)c1 ZINC001205685466 1049532634 /nfs/dbraw/zinc/53/26/34/1049532634.db2.gz VRDYOERRJJAMJC-MRXNPFEDSA-N 1 3 310.913 4.497 20 0 DIADHO CCN(CC)CCC[N@H+](CC)C[C@@H](C)c1cccc(Cl)c1 ZINC001205685466 1049532648 /nfs/dbraw/zinc/53/26/48/1049532648.db2.gz VRDYOERRJJAMJC-MRXNPFEDSA-N 1 3 310.913 4.497 20 0 DIADHO CCN(CC)CCC[N@@H+](CC)C[C@@H](C)c1cccc(Cl)c1 ZINC001205685466 1049532660 /nfs/dbraw/zinc/53/26/60/1049532660.db2.gz VRDYOERRJJAMJC-MRXNPFEDSA-N 1 3 310.913 4.497 20 0 DIADHO C[C@H]([NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000488584466 1049680897 /nfs/dbraw/zinc/68/08/97/1049680897.db2.gz RNGLALDLDGCGFS-DFGXFYAUSA-N 1 3 324.578 4.149 20 0 DIADHO C[C@H](c1ccc(F)c(Cl)c1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001196789869 1049688517 /nfs/dbraw/zinc/68/85/17/1049688517.db2.gz PCMQAZXUOIIXIV-CQSZACIVSA-N 1 3 324.871 4.348 20 0 DIADHO C[C@@H]1CNCC[N@H+](Cc2ccccc2-c2ccc(Cl)cc2)C1 ZINC001206276784 1049697177 /nfs/dbraw/zinc/69/71/77/1049697177.db2.gz JPZUABRCXUXMQN-OAHLLOKOSA-N 1 3 314.860 4.048 20 0 DIADHO C[C@@H]1CNCC[N@@H+](Cc2ccccc2-c2ccc(Cl)cc2)C1 ZINC001206276784 1049697182 /nfs/dbraw/zinc/69/71/82/1049697182.db2.gz JPZUABRCXUXMQN-OAHLLOKOSA-N 1 3 314.860 4.048 20 0 DIADHO CS[C@@H]1CCCC[C@H]1[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC001182692529 1049701001 /nfs/dbraw/zinc/70/10/01/1049701001.db2.gz AXQVPOPPWDSSQE-GDAAHCPNSA-N 1 3 324.578 4.293 20 0 DIADHO C[C@H](c1cccc2ccccc21)N1CCC(C)([NH+]2CCC2)CC1 ZINC001197265537 1049733785 /nfs/dbraw/zinc/73/37/85/1049733785.db2.gz UCRNBQNNWJFTNJ-QGZVFWFLSA-N 1 3 308.469 4.461 20 0 DIADHO CCCCCOc1ccc(CN2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206540555 1049753609 /nfs/dbraw/zinc/75/36/09/1049753609.db2.gz CEXFLMJXBHLUIX-HXUWFJFHSA-N 1 3 318.505 4.207 20 0 DIADHO CC(C)N(Cc1cc2cc(Cl)ccc2[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC001206579947 1049760656 /nfs/dbraw/zinc/76/06/56/1049760656.db2.gz BMCLHLBLYBCTMW-QGZVFWFLSA-N 1 3 319.880 4.174 20 0 DIADHO CCCCOc1cccc(CN(C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206588575 1049764499 /nfs/dbraw/zinc/76/44/99/1049764499.db2.gz BXEGCHFZWDCFOV-IBGZPJMESA-N 1 3 318.505 4.218 20 0 DIADHO [NH3+]C[C@H]1CCCCN(Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001206616419 1049770872 /nfs/dbraw/zinc/77/08/72/1049770872.db2.gz NYACMRSMCDNKPS-CQSZACIVSA-N 1 3 318.848 4.161 20 0 DIADHO CN(C1CC1)C1CC[NH+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001207198400 1049861639 /nfs/dbraw/zinc/86/16/39/1049861639.db2.gz SQGQXAGGPPAYMP-KXBFYZLASA-N 1 3 318.892 4.002 20 0 DIADHO CN(C1CC1)C1CC[NH+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001207198388 1049862101 /nfs/dbraw/zinc/86/21/01/1049862101.db2.gz SQGQXAGGPPAYMP-DNVCBOLYSA-N 1 3 318.892 4.002 20 0 DIADHO CCN(C)C1CC[NH+](C[C@H](C)Cc2ccc(C(C)C)cc2)CC1 ZINC001207936453 1049959212 /nfs/dbraw/zinc/95/92/12/1049959212.db2.gz GXCWUQSXXWKCRU-GOSISDBHSA-N 1 3 316.533 4.405 20 0 DIADHO C[NH+]1CCC(C)(CN2CCC[C@H]2c2ccc(Cl)s2)CC1 ZINC001208113438 1049974171 /nfs/dbraw/zinc/97/41/71/1049974171.db2.gz INYLJRJUOAUOHW-ZDUSSCGKSA-N 1 3 312.910 4.270 20 0 DIADHO Clc1cccc([C@H]2CC[N@@H+](C3CCN(CC4CC4)CC3)C2)c1 ZINC001168387729 1050023624 /nfs/dbraw/zinc/02/36/24/1050023624.db2.gz RPYGTSIYOFZCHC-KRWDZBQOSA-N 1 3 318.892 4.004 20 0 DIADHO Clc1cccc([C@H]2CC[N@H+](C3CCN(CC4CC4)CC3)C2)c1 ZINC001168387729 1050023629 /nfs/dbraw/zinc/02/36/29/1050023629.db2.gz RPYGTSIYOFZCHC-KRWDZBQOSA-N 1 3 318.892 4.004 20 0 DIADHO c1ccc(C[N@H+]2CCC[C@H](CN3CC[C@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208938164 1050026472 /nfs/dbraw/zinc/02/64/72/1050026472.db2.gz VIBFIHNOEMNUJX-PWRODBHTSA-N 1 3 312.501 4.021 20 0 DIADHO c1ccc(C[N@@H+]2CCC[C@H](CN3CC[C@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208938164 1050026478 /nfs/dbraw/zinc/02/64/78/1050026478.db2.gz VIBFIHNOEMNUJX-PWRODBHTSA-N 1 3 312.501 4.021 20 0 DIADHO c1ccc(CN2CCC[C@H](C[N@@H+]3CC[C@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208938164 1050026485 /nfs/dbraw/zinc/02/64/85/1050026485.db2.gz VIBFIHNOEMNUJX-PWRODBHTSA-N 1 3 312.501 4.021 20 0 DIADHO c1ccc(CN2CCC[C@H](C[N@H+]3CC[C@H]4CCC[C@@H]4C3)C2)cc1 ZINC001208938164 1050026491 /nfs/dbraw/zinc/02/64/91/1050026491.db2.gz VIBFIHNOEMNUJX-PWRODBHTSA-N 1 3 312.501 4.021 20 0 DIADHO c1ccc(C[N@H+]2CCC[C@H](CN3CC[C@@H]4CCC[C@H]4C3)C2)cc1 ZINC001208938159 1050028228 /nfs/dbraw/zinc/02/82/28/1050028228.db2.gz VIBFIHNOEMNUJX-ACRUOGEOSA-N 1 3 312.501 4.021 20 0 DIADHO c1ccc(C[N@@H+]2CCC[C@H](CN3CC[C@@H]4CCC[C@H]4C3)C2)cc1 ZINC001208938159 1050028232 /nfs/dbraw/zinc/02/82/32/1050028232.db2.gz VIBFIHNOEMNUJX-ACRUOGEOSA-N 1 3 312.501 4.021 20 0 DIADHO c1ccc(CN2CCC[C@H](C[N@@H+]3CC[C@@H]4CCC[C@H]4C3)C2)cc1 ZINC001208938159 1050028237 /nfs/dbraw/zinc/02/82/37/1050028237.db2.gz VIBFIHNOEMNUJX-ACRUOGEOSA-N 1 3 312.501 4.021 20 0 DIADHO c1ccc(CN2CCC[C@H](C[N@H+]3CC[C@@H]4CCC[C@H]4C3)C2)cc1 ZINC001208938159 1050028241 /nfs/dbraw/zinc/02/82/41/1050028241.db2.gz VIBFIHNOEMNUJX-ACRUOGEOSA-N 1 3 312.501 4.021 20 0 DIADHO C[C@@H]1CN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208945242 1050028334 /nfs/dbraw/zinc/02/83/34/1050028334.db2.gz BOEMXHYJNKKXSU-UYAOXDASSA-N 1 3 320.480 4.128 20 0 DIADHO C[C@@H]1CN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208945242 1050028338 /nfs/dbraw/zinc/02/83/38/1050028338.db2.gz BOEMXHYJNKKXSU-UYAOXDASSA-N 1 3 320.480 4.128 20 0 DIADHO CCOc1ccc([C@H]2CCC[N@@H+]2CCCN2CCCCC2)cc1 ZINC001209451042 1050061231 /nfs/dbraw/zinc/06/12/31/1050061231.db2.gz RNSDOTIPMVDILR-HXUWFJFHSA-N 1 3 316.489 4.098 20 0 DIADHO CCOc1ccc([C@H]2CCC[N@H+]2CCCN2CCCCC2)cc1 ZINC001209451042 1050061233 /nfs/dbraw/zinc/06/12/33/1050061233.db2.gz RNSDOTIPMVDILR-HXUWFJFHSA-N 1 3 316.489 4.098 20 0 DIADHO CC(C)[N@H+](C)CC1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000590786438 1050106874 /nfs/dbraw/zinc/10/68/74/1050106874.db2.gz XFNKRLLGADUNFF-OAHLLOKOSA-N 1 3 308.897 4.453 20 0 DIADHO CC(C)[N@@H+](C)CC1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000590786438 1050106875 /nfs/dbraw/zinc/10/68/75/1050106875.db2.gz XFNKRLLGADUNFF-OAHLLOKOSA-N 1 3 308.897 4.453 20 0 DIADHO C[C@H]1CC[N@H+](Cc2cccc3c4ccccc4sc32)CCN1 ZINC001210496369 1050267237 /nfs/dbraw/zinc/26/72/37/1050267237.db2.gz GWPFAXZDOGXSSF-AWEZNQCLSA-N 1 3 310.466 4.238 20 0 DIADHO C[C@H]1CC[N@@H+](Cc2cccc3c4ccccc4sc32)CCN1 ZINC001210496369 1050267249 /nfs/dbraw/zinc/26/72/49/1050267249.db2.gz GWPFAXZDOGXSSF-AWEZNQCLSA-N 1 3 310.466 4.238 20 0 DIADHO [NH3+]CCCCCCCN1CCC[C@H]1c1nc2ccccc2s1 ZINC000844220662 1050372028 /nfs/dbraw/zinc/37/20/28/1050372028.db2.gz JCKAETIKKIXXRN-INIZCTEOSA-N 1 3 317.502 4.342 20 0 DIADHO C[C@H](c1ccc(Cl)cc1Cl)N(C)CC1CC[NH+](C)CC1 ZINC000738312353 1050530446 /nfs/dbraw/zinc/53/04/46/1050530446.db2.gz QVTQYYBGJHPWJB-GFCCVEGCSA-N 1 3 315.288 4.328 20 0 DIADHO CN1C(C)(C)CC([NH2+]CCCCOc2ccccc2)CC1(C)C ZINC001171630309 1051174339 /nfs/dbraw/zinc/17/43/39/1051174339.db2.gz MCHREHHIMDNOFF-UHFFFAOYSA-N 1 3 318.505 4.087 20 0 DIADHO C[NH+]1C(C)(C)CC(NCCc2ccc(Cl)s2)CC1(C)C ZINC001171631291 1051174368 /nfs/dbraw/zinc/17/43/68/1051174368.db2.gz XPJADEGEJNACIS-UHFFFAOYSA-N 1 3 314.926 4.185 20 0 DIADHO CN1C(C)(C)CC([NH2+]CC2(C)CCC(F)(F)CC2)CC1(C)C ZINC001171630495 1051175143 /nfs/dbraw/zinc/17/51/43/1051175143.db2.gz PIUDIWJLMHSGCC-UHFFFAOYSA-N 1 3 316.480 4.443 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@H](c2ccccc2)C2CC2)CC1(C)C ZINC001171613783 1051176746 /nfs/dbraw/zinc/17/67/46/1051176746.db2.gz PZQSGZATBGRUFZ-GOSISDBHSA-N 1 3 300.490 4.379 20 0 DIADHO C[NH+]1C(C)(C)CC(N[C@H]2C[C@@H]2c2cccc(Cl)c2)CC1(C)C ZINC001171623413 1051178604 /nfs/dbraw/zinc/17/86/04/1051178604.db2.gz XSJUSZGBABTKHQ-SJORKVTESA-N 1 3 320.908 4.437 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@H]2C[C@@H]2c2cccc(Cl)c2)CC1(C)C ZINC001171623413 1051178610 /nfs/dbraw/zinc/17/86/10/1051178610.db2.gz XSJUSZGBABTKHQ-SJORKVTESA-N 1 3 320.908 4.437 20 0 DIADHO C[NH+]1C(C)(C)CC(NCCSCc2ccccc2)CC1(C)C ZINC001171623405 1051179544 /nfs/dbraw/zinc/17/95/44/1051179544.db2.gz XNMPDSWTYMSGLO-UHFFFAOYSA-N 1 3 320.546 4.161 20 0 DIADHO CN1C(C)(C)CC([NH2+]CCSCc2ccccc2)CC1(C)C ZINC001171623405 1051179554 /nfs/dbraw/zinc/17/95/54/1051179554.db2.gz XNMPDSWTYMSGLO-UHFFFAOYSA-N 1 3 320.546 4.161 20 0 DIADHO CN1C(C)(C)CC([NH2+]CC(C)(C)c2ccccc2)CC1(C)C ZINC001171620230 1051180168 /nfs/dbraw/zinc/18/01/68/1051180168.db2.gz ZZTFQFRNXXEFIQ-UHFFFAOYSA-N 1 3 302.506 4.205 20 0 DIADHO CC(C)[C@@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)c1cccnc1 ZINC001171623284 1051180380 /nfs/dbraw/zinc/18/03/80/1051180380.db2.gz RHDLWSJAZMVUBZ-QGZVFWFLSA-N 1 3 303.494 4.020 20 0 DIADHO Cc1ccc([C@@H]2CCCN2C2CC(C)(C)[NH+](C)C(C)(C)C2)cn1 ZINC001171643067 1051198063 /nfs/dbraw/zinc/19/80/63/1051198063.db2.gz RIDZJYDTZVZKGZ-SFHVURJKSA-N 1 3 315.505 4.178 20 0 DIADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@]1(C)Cc1ccccc1Cl ZINC001171900113 1051237050 /nfs/dbraw/zinc/23/70/50/1051237050.db2.gz HIIQSNAMORKZSY-MJGOQNOKSA-N 1 3 320.908 4.221 20 0 DIADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@]1(C)Cc1ccccc1Cl ZINC001171900113 1051237063 /nfs/dbraw/zinc/23/70/63/1051237063.db2.gz HIIQSNAMORKZSY-MJGOQNOKSA-N 1 3 320.908 4.221 20 0 DIADHO FC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CCC1 ZINC001172064624 1051283995 /nfs/dbraw/zinc/28/39/95/1051283995.db2.gz DOUFCHFWOVCWJX-LDLYASANSA-N 1 3 316.464 4.054 20 0 DIADHO C[C@@H](c1ccccc1Cl)[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172131096 1051291747 /nfs/dbraw/zinc/29/17/47/1051291747.db2.gz UWTBAPNXPYXKQV-CAOSSQGBSA-N 1 3 306.881 4.348 20 0 DIADHO C[C@@H](c1ccccc1Cl)[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172131096 1051291753 /nfs/dbraw/zinc/29/17/53/1051291753.db2.gz UWTBAPNXPYXKQV-CAOSSQGBSA-N 1 3 306.881 4.348 20 0 DIADHO C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)c1cccc(Cl)c1F ZINC001172101532 1051295216 /nfs/dbraw/zinc/29/52/16/1051295216.db2.gz ZJGSXKRZQWYIOI-YIYPIFLZSA-N 1 3 310.844 4.145 20 0 DIADHO C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)c1cccc(Cl)c1F ZINC001172101530 1051296479 /nfs/dbraw/zinc/29/64/79/1051296479.db2.gz ZJGSXKRZQWYIOI-SYQHCUMBSA-N 1 3 310.844 4.145 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H](c1cccc(F)c1)C1CCC1)C2 ZINC001172112456 1051299749 /nfs/dbraw/zinc/29/97/49/1051299749.db2.gz XCUDCSBLPPZMEG-YRPNKDGESA-N 1 3 316.464 4.272 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H](c1cccc(F)c1)C1CCC1)C2 ZINC001172112456 1051299761 /nfs/dbraw/zinc/29/97/61/1051299761.db2.gz XCUDCSBLPPZMEG-YRPNKDGESA-N 1 3 316.464 4.272 20 0 DIADHO CC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)c1cc(F)ccc1F ZINC001172112105 1051300591 /nfs/dbraw/zinc/30/05/91/1051300591.db2.gz TUFBIKZMWYSOLD-AFIMGQEJSA-N 1 3 308.416 4.021 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCCc3c(Cl)cccc31)C2 ZINC001172110081 1051300967 /nfs/dbraw/zinc/30/09/67/1051300967.db2.gz JSSHOBOMICYOJV-BKEDOTJMSA-N 1 3 318.892 4.322 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCCc3c(Cl)cccc31)C2 ZINC001172110081 1051300976 /nfs/dbraw/zinc/30/09/76/1051300976.db2.gz JSSHOBOMICYOJV-BKEDOTJMSA-N 1 3 318.892 4.322 20 0 DIADHO CC[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(Cl)c1 ZINC001172109707 1051301105 /nfs/dbraw/zinc/30/11/05/1051301105.db2.gz KDHRIRHWBBDOLK-XMTFNYHQSA-N 1 3 306.881 4.396 20 0 DIADHO CC[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1 ZINC001172109707 1051301114 /nfs/dbraw/zinc/30/11/14/1051301114.db2.gz KDHRIRHWBBDOLK-XMTFNYHQSA-N 1 3 306.881 4.396 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1(c3cccc(Cl)c3)CCC1)C2 ZINC001172115094 1051304220 /nfs/dbraw/zinc/30/42/20/1051304220.db2.gz QRHATJUTVAUESX-BCDXTJNWSA-N 1 3 318.892 4.324 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1(c3cccc(Cl)c3)CCC1)C2 ZINC001172115094 1051304229 /nfs/dbraw/zinc/30/42/29/1051304229.db2.gz QRHATJUTVAUESX-BCDXTJNWSA-N 1 3 318.892 4.324 20 0 DIADHO CC[C@@H](C)OCC[C@@H](C)[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172362239 1051373846 /nfs/dbraw/zinc/37/38/46/1051373846.db2.gz SBIJLVISTICIPK-QZTJIDSGSA-N 1 3 324.553 4.309 20 0 DIADHO CC[C@@H](C)OCC[C@@H](C)[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172362239 1051373858 /nfs/dbraw/zinc/37/38/58/1051373858.db2.gz SBIJLVISTICIPK-QZTJIDSGSA-N 1 3 324.553 4.309 20 0 DIADHO CC[N@H+](C)C1CCN([C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172550258 1051432780 /nfs/dbraw/zinc/43/27/80/1051432780.db2.gz VSPSDQJMUJQOTA-QUCCMNQESA-N 1 3 300.490 4.129 20 0 DIADHO CC[N@@H+](C)C1CCN([C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172550258 1051432786 /nfs/dbraw/zinc/43/27/86/1051432786.db2.gz VSPSDQJMUJQOTA-QUCCMNQESA-N 1 3 300.490 4.129 20 0 DIADHO CCN(C)C1CC[NH+]([C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172550258 1051432790 /nfs/dbraw/zinc/43/27/90/1051432790.db2.gz VSPSDQJMUJQOTA-QUCCMNQESA-N 1 3 300.490 4.129 20 0 DIADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Oc3ccccc3)cc1)C2 ZINC001169092762 1051508566 /nfs/dbraw/zinc/50/85/66/1051508566.db2.gz CNAXJSLMDFDKTL-REPLKXPHSA-N 1 3 322.452 4.194 20 0 DIADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(-c3cccs3)c1)C2 ZINC001169100492 1051508771 /nfs/dbraw/zinc/50/87/71/1051508771.db2.gz JXSOQZVLLSZSEH-NNZMDNLPSA-N 1 3 312.482 4.130 20 0 DIADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(-c3ccccc3)c1)C2 ZINC001169092685 1051508893 /nfs/dbraw/zinc/50/88/93/1051508893.db2.gz CJSCUVCMLUAGSO-WKCHPHFGSA-N 1 3 306.453 4.068 20 0 DIADHO CC(C)C[C@H](Cc1ccccc1)[NH+]1CCC(N(C)C2CC2)CC1 ZINC001169085267 1051516536 /nfs/dbraw/zinc/51/65/36/1051516536.db2.gz MVDCKEGLIWUSOE-OAQYLSRUSA-N 1 3 314.517 4.202 20 0 DIADHO Cc1cc2cc(N[C@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)ccc2cn1 ZINC001169147571 1051534541 /nfs/dbraw/zinc/53/45/41/1051534541.db2.gz RUAUTPSKKQKZPT-ICSRJNTNSA-N 1 3 311.473 4.499 20 0 DIADHO CC[NH+](CC)C1CCC(N2CCc3c(Cl)cccc3C2)CC1 ZINC001173115103 1051611753 /nfs/dbraw/zinc/61/17/53/1051611753.db2.gz WQEPQSWVNXOESF-UHFFFAOYSA-N 1 3 320.908 4.351 20 0 DIADHO CCCN1C[C@H]2C[NH+](C3CCC4(CCCCC4)CC3)C[C@@H]2C1 ZINC001173120508 1051615589 /nfs/dbraw/zinc/61/55/89/1051615589.db2.gz FULGCHNCSVCFPM-ROUUACIJSA-N 1 3 304.522 4.153 20 0 DIADHO CCCC[C@@H](CC(C)C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001173256179 1051657268 /nfs/dbraw/zinc/65/72/68/1051657268.db2.gz HWQJYOXQINTHHQ-FQEVSTJZSA-N 1 3 324.553 4.072 20 0 DIADHO CCCC[C@H](CC(C)C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001173256180 1051657413 /nfs/dbraw/zinc/65/74/13/1051657413.db2.gz HWQJYOXQINTHHQ-HXUWFJFHSA-N 1 3 324.553 4.072 20 0 DIADHO Cc1cscc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000494495252 1051905738 /nfs/dbraw/zinc/90/57/38/1051905738.db2.gz MVBVNIHJBOCKMS-DNVCBOLYSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1cscc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000494495252 1051905749 /nfs/dbraw/zinc/90/57/49/1051905749.db2.gz MVBVNIHJBOCKMS-DNVCBOLYSA-N 1 3 314.498 4.057 20 0 DIADHO Clc1csc(CNCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000192985251 1052025127 /nfs/dbraw/zinc/02/51/27/1052025127.db2.gz USHLCNUKAIARFK-UHFFFAOYSA-N 1 3 320.889 4.287 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC000495016014 1052197680 /nfs/dbraw/zinc/19/76/80/1052197680.db2.gz IAXVMLGCSOFYNB-CQSZACIVSA-N 1 3 302.453 4.055 20 0 DIADHO c1cc2c(s1)CCC[C@@H]2N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250171049 1052220907 /nfs/dbraw/zinc/22/09/07/1052220907.db2.gz LUHQWDLGUKCUOI-SVGFKBNWSA-N 1 3 304.503 4.026 20 0 DIADHO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2ccccc2s1 ZINC000229445855 1052227528 /nfs/dbraw/zinc/22/75/28/1052227528.db2.gz BRRCZYWMBBMGKQ-IMJJTQAJSA-N 1 3 300.471 4.179 20 0 DIADHO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc2ccccc2s1 ZINC000229445855 1052227531 /nfs/dbraw/zinc/22/75/31/1052227531.db2.gz BRRCZYWMBBMGKQ-IMJJTQAJSA-N 1 3 300.471 4.179 20 0 DIADHO CCc1ccccc1C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310273015 1052262165 /nfs/dbraw/zinc/26/21/65/1052262165.db2.gz UAVFBVWKSMPLCJ-XMSQKQJNSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1ccccc1CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310273015 1052262172 /nfs/dbraw/zinc/26/21/72/1052262172.db2.gz UAVFBVWKSMPLCJ-XMSQKQJNSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1ccccc1CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310273015 1052262179 /nfs/dbraw/zinc/26/21/79/1052262179.db2.gz UAVFBVWKSMPLCJ-XMSQKQJNSA-N 1 3 322.496 4.249 20 0 DIADHO CC(C)[NH+]1CCC(N[C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000236605647 1052427501 /nfs/dbraw/zinc/42/75/01/1052427501.db2.gz UTGXBCCQIXCTDV-LJQANCHMSA-N 1 3 300.490 4.262 20 0 DIADHO CCCCN1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000236759516 1052430459 /nfs/dbraw/zinc/43/04/59/1052430459.db2.gz ZISZJOHAEVXTGV-UHFFFAOYSA-N 1 3 314.395 4.060 20 0 DIADHO Fc1ccc(-c2ccccc2CN2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001222149028 1052450526 /nfs/dbraw/zinc/45/05/26/1052450526.db2.gz VENHXSCXRYXQGJ-OAQYLSRUSA-N 1 3 324.443 4.068 20 0 DIADHO Cc1cc(CN2CCCC[C@]3(CCCC[NH2+]C3)C2)sc1C ZINC001222173025 1052457002 /nfs/dbraw/zinc/45/70/02/1052457002.db2.gz PVLODYSLJNXUPB-SFHVURJKSA-N 1 3 306.519 4.111 20 0 DIADHO Cc1sc2ccccc2c1CN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222271275 1052471722 /nfs/dbraw/zinc/47/17/22/1052471722.db2.gz FCQYRRMVQDZQJF-IBGZPJMESA-N 1 3 314.498 4.175 20 0 DIADHO c1ccc(-c2ccccc2CN2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001222272635 1052471735 /nfs/dbraw/zinc/47/17/35/1052471735.db2.gz XVNCEQVFDNDGGF-JOCHJYFZSA-N 1 3 320.480 4.319 20 0 DIADHO [NH3+]CCCCCCN1CC[C@H](c2cccc(Cl)c2Cl)C1 ZINC001235884949 1052538025 /nfs/dbraw/zinc/53/80/25/1052538025.db2.gz NIYHIVGIQYQIPA-ZDUSSCGKSA-N 1 3 315.288 4.302 20 0 DIADHO CC(C)[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000036975356 1052575134 /nfs/dbraw/zinc/57/51/34/1052575134.db2.gz HBPFLQNZXMARQX-HQSKLWIPSA-N 1 3 306.881 4.252 20 0 DIADHO CC(C)[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000036975356 1052575138 /nfs/dbraw/zinc/57/51/38/1052575138.db2.gz HBPFLQNZXMARQX-HQSKLWIPSA-N 1 3 306.881 4.252 20 0 DIADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000037149840 1052605896 /nfs/dbraw/zinc/60/58/96/1052605896.db2.gz DZBBNQJQMYWGFG-CYBMUJFWSA-N 1 3 312.860 4.394 20 0 DIADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000123707206 1052633327 /nfs/dbraw/zinc/63/33/27/1052633327.db2.gz IQPNECZVOOANFR-LJQANCHMSA-N 1 3 314.860 4.179 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCc3cc(F)ccc32)c1 ZINC000123881847 1052635506 /nfs/dbraw/zinc/63/55/06/1052635506.db2.gz XREGHSNMLIXBCV-HXUWFJFHSA-N 1 3 312.432 4.055 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCc3cc(F)ccc32)c1 ZINC000123881847 1052635509 /nfs/dbraw/zinc/63/55/09/1052635509.db2.gz XREGHSNMLIXBCV-HXUWFJFHSA-N 1 3 312.432 4.055 20 0 DIADHO CC(C)CN1CCC([NH2+][C@H](C)c2ccc(Cl)s2)CC1 ZINC000124059304 1052635897 /nfs/dbraw/zinc/63/58/97/1052635897.db2.gz PMWJTXQSWPCAFL-GFCCVEGCSA-N 1 3 300.899 4.173 20 0 DIADHO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2ccccc2s1 ZINC000126452284 1052670416 /nfs/dbraw/zinc/67/04/16/1052670416.db2.gz BRRCZYWMBBMGKQ-CWRNSKLLSA-N 1 3 300.471 4.179 20 0 DIADHO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc2ccccc2s1 ZINC000126452284 1052670419 /nfs/dbraw/zinc/67/04/19/1052670419.db2.gz BRRCZYWMBBMGKQ-CWRNSKLLSA-N 1 3 300.471 4.179 20 0 DIADHO CCC[NH+]1CCC(NCc2ccccc2-c2ccccc2)CC1 ZINC000917394038 1052723394 /nfs/dbraw/zinc/72/33/94/1052723394.db2.gz PPVCWPBMNGMZRZ-UHFFFAOYSA-N 1 3 308.469 4.318 20 0 DIADHO C[C@@H](CNCc1ccccc1-c1ccccc1)C[NH+]1CCCC1 ZINC000917395594 1052723608 /nfs/dbraw/zinc/72/36/08/1052723608.db2.gz SSFBYDMUQPUTPL-SFHVURJKSA-N 1 3 308.469 4.175 20 0 DIADHO CCC(CC)C[N@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236453289 1053039751 /nfs/dbraw/zinc/03/97/51/1053039751.db2.gz PWYUPWRQIMVIDQ-UHFFFAOYSA-N 1 3 308.897 4.330 20 0 DIADHO CCC(CC)C[N@@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236453289 1053039755 /nfs/dbraw/zinc/03/97/55/1053039755.db2.gz PWYUPWRQIMVIDQ-UHFFFAOYSA-N 1 3 308.897 4.330 20 0 DIADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC001560248458 1053142303 /nfs/dbraw/zinc/14/23/03/1053142303.db2.gz RPAWTZRGTHEOMD-UHFFFAOYSA-N 1 3 302.487 4.093 20 0 DIADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(-c3ccccc3)cc2)C1 ZINC001318418920 1053167318 /nfs/dbraw/zinc/16/73/18/1053167318.db2.gz BFPGJZFJZIDVCU-LJQANCHMSA-N 1 3 308.469 4.175 20 0 DIADHO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000089512988 1053205668 /nfs/dbraw/zinc/20/56/68/1053205668.db2.gz MKILDLNYHBKXCP-CYBMUJFWSA-N 1 3 323.550 4.488 20 0 DIADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2cc3cc(Cl)ccc3o2)C1 ZINC001323472755 1053582686 /nfs/dbraw/zinc/58/26/86/1053582686.db2.gz PIUKASJHJYUCAU-KBPBESRZSA-N 1 3 320.864 4.469 20 0 DIADHO CN(C)[C@H]1CCC[N@H+](Cc2ccccc2-c2ccccc2)CC1 ZINC000763612884 1053615316 /nfs/dbraw/zinc/61/53/16/1053615316.db2.gz HHQBSKQVYALPIW-FQEVSTJZSA-N 1 3 308.469 4.270 20 0 DIADHO CN(C)[C@H]1CCC[N@@H+](Cc2ccccc2-c2ccccc2)CC1 ZINC000763612884 1053615324 /nfs/dbraw/zinc/61/53/24/1053615324.db2.gz HHQBSKQVYALPIW-FQEVSTJZSA-N 1 3 308.469 4.270 20 0 DIADHO C[NH+](C)[C@H]1CCCN(Cc2ccccc2-c2ccccc2)CC1 ZINC000763612884 1053615328 /nfs/dbraw/zinc/61/53/28/1053615328.db2.gz HHQBSKQVYALPIW-FQEVSTJZSA-N 1 3 308.469 4.270 20 0 DIADHO CCC1(CC)CCC([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001200672908 1053873644 /nfs/dbraw/zinc/87/36/44/1053873644.db2.gz ULPFANGUHWZRFS-ROUUACIJSA-N 1 3 324.553 4.214 20 0 DIADHO CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001200671383 1053874167 /nfs/dbraw/zinc/87/41/67/1053874167.db2.gz AIAZJXDPUIUVHR-IYWMVGAKSA-N 1 3 324.553 4.070 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(SC(C)C)cc2)C1 ZINC000163274820 1053893930 /nfs/dbraw/zinc/89/39/30/1053893930.db2.gz WHQIUPXPXOGERQ-HOTGVXAUSA-N 1 3 306.519 4.180 20 0 DIADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2cccs2)c1 ZINC000163550847 1054045768 /nfs/dbraw/zinc/04/57/68/1054045768.db2.gz WVTVYBGABBEJDK-OAHLLOKOSA-N 1 3 302.487 4.441 20 0 DIADHO C[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)Cc1cccs1 ZINC000167443274 1054103893 /nfs/dbraw/zinc/10/38/93/1054103893.db2.gz MYASJJJADNBYCV-INIZCTEOSA-N 1 3 320.546 4.313 20 0 DIADHO CCCN(CCC[NH+](C)C)Cc1ccc2nc(Cl)ccc2c1 ZINC001233445326 1054277759 /nfs/dbraw/zinc/27/77/59/1054277759.db2.gz AMYZLFUUDBFTFX-UHFFFAOYSA-N 1 3 319.880 4.052 20 0 DIADHO CC[N@@H+]1CCC[C@H](CN[C@H](C)c2cc3c(s2)CCCC3)C1 ZINC001340513652 1054361645 /nfs/dbraw/zinc/36/16/45/1054361645.db2.gz GYDAJAVGOJRXSI-HUUCEWRRSA-N 1 3 306.519 4.009 20 0 DIADHO CC[N@H+]1CCC[C@H](CN[C@H](C)c2cc3c(s2)CCCC3)C1 ZINC001340513652 1054361659 /nfs/dbraw/zinc/36/16/59/1054361659.db2.gz GYDAJAVGOJRXSI-HUUCEWRRSA-N 1 3 306.519 4.009 20 0 DIADHO CC[N@@H+]1CCC[C@@H](CN[C@H](C)c2cc3c(s2)CCCC3)C1 ZINC001340513650 1054361749 /nfs/dbraw/zinc/36/17/49/1054361749.db2.gz GYDAJAVGOJRXSI-CABCVRRESA-N 1 3 306.519 4.009 20 0 DIADHO CC[N@H+]1CCC[C@@H](CN[C@H](C)c2cc3c(s2)CCCC3)C1 ZINC001340513650 1054361761 /nfs/dbraw/zinc/36/17/61/1054361761.db2.gz GYDAJAVGOJRXSI-CABCVRRESA-N 1 3 306.519 4.009 20 0 DIADHO CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@H](CC)N2CCCC2)cc1 ZINC000849060737 1054369785 /nfs/dbraw/zinc/36/97/85/1054369785.db2.gz NLFPDQKYCXFUSO-YJBOKZPZSA-N 1 3 316.493 4.011 20 0 DIADHO CN1CC[C@H]([NH2+]C(c2ccccc2)c2ccccc2)CC1(C)C ZINC000623335351 1054563652 /nfs/dbraw/zinc/56/36/52/1054563652.db2.gz JOMWUERDPKWNQS-IBGZPJMESA-N 1 3 308.469 4.238 20 0 DIADHO COCCCC[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623510541 1054607787 /nfs/dbraw/zinc/60/77/87/1054607787.db2.gz AHZUXHAECBSPQV-OALUTQOASA-N 1 3 318.505 4.007 20 0 DIADHO COCCCC[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623510541 1054607793 /nfs/dbraw/zinc/60/77/93/1054607793.db2.gz AHZUXHAECBSPQV-OALUTQOASA-N 1 3 318.505 4.007 20 0 DIADHO C[C@@H](CN1CCC[C@@]2(CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC001234992142 1054637183 /nfs/dbraw/zinc/63/71/83/1054637183.db2.gz JBHGDWFPDCLKKZ-UWJYYQICSA-N 1 3 308.469 4.019 20 0 DIADHO C[C@@H](CN1CCC[C@]2(CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC001234992138 1054638343 /nfs/dbraw/zinc/63/83/43/1054638343.db2.gz JBHGDWFPDCLKKZ-LAUBAEHRSA-N 1 3 308.469 4.019 20 0 DIADHO CCCCCCc1csc(CN2CC3(C2)CC[NH2+]CC3)c1 ZINC001235091933 1054652975 /nfs/dbraw/zinc/65/29/75/1054652975.db2.gz FNHGUENCXCGKNY-UHFFFAOYSA-N 1 3 306.519 4.056 20 0 DIADHO c1csc(-c2ccccc2C[N@@H+]2CCCC23CCNCC3)c1 ZINC001235145284 1054667608 /nfs/dbraw/zinc/66/76/08/1054667608.db2.gz SOKOSHLHJHAGSZ-UHFFFAOYSA-N 1 3 312.482 4.133 20 0 DIADHO c1csc(-c2ccccc2C[N@H+]2CCCC23CCNCC3)c1 ZINC001235145284 1054667616 /nfs/dbraw/zinc/66/76/16/1054667616.db2.gz SOKOSHLHJHAGSZ-UHFFFAOYSA-N 1 3 312.482 4.133 20 0 DIADHO Fc1ccc(CN2CCCCC23CC[NH2+]CC3)c2ccccc12 ZINC001235189903 1054680782 /nfs/dbraw/zinc/68/07/82/1054680782.db2.gz PTQQDKVLPCVKPI-UHFFFAOYSA-N 1 3 312.432 4.087 20 0 DIADHO c1ccc(-c2ccccc2C[N@@H+]2CCCCC23CCNCC3)cc1 ZINC001235190078 1054681503 /nfs/dbraw/zinc/68/15/03/1054681503.db2.gz TVGLTJXXZACSKW-UHFFFAOYSA-N 1 3 320.480 4.462 20 0 DIADHO c1ccc(-c2ccccc2C[N@H+]2CCCCC23CCNCC3)cc1 ZINC001235190078 1054681514 /nfs/dbraw/zinc/68/15/14/1054681514.db2.gz TVGLTJXXZACSKW-UHFFFAOYSA-N 1 3 320.480 4.462 20 0 DIADHO Cc1cc(CN2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])cc(C)c1-c1ccc(F)cc1 ZINC001235253030 1054693131 /nfs/dbraw/zinc/69/31/31/1054693131.db2.gz BOVFRLFIJDORRK-IHPCNDPISA-N 1 3 324.443 4.031 20 0 DIADHO CN(CCC[NH3+])Cc1cccc(-c2ccccc2C(F)(F)F)c1 ZINC001235435565 1054721440 /nfs/dbraw/zinc/72/14/40/1054721440.db2.gz PPMFQKRJBHEUIN-UHFFFAOYSA-N 1 3 322.374 4.153 20 0 DIADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2ccccc2c1 ZINC000623785006 1054759657 /nfs/dbraw/zinc/75/96/57/1054759657.db2.gz SWSQTRQEQBOKFX-LEWJYISDSA-N 1 3 322.496 4.334 20 0 DIADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2ccccc2c1 ZINC000623785006 1054759671 /nfs/dbraw/zinc/75/96/71/1054759671.db2.gz SWSQTRQEQBOKFX-LEWJYISDSA-N 1 3 322.496 4.334 20 0 DIADHO Cc1cccc(C)c1-c1cccc(CN2CCC[C@@H](C[NH3+])C2)c1 ZINC001235673523 1054766187 /nfs/dbraw/zinc/76/61/87/1054766187.db2.gz BQAPVYDURQVSCT-IBGZPJMESA-N 1 3 308.469 4.141 20 0 DIADHO [NH3+]Cc1cccc(CN2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC001235675260 1054770110 /nfs/dbraw/zinc/77/01/10/1054770110.db2.gz TVTYQBXIHZFEGJ-SFHVURJKSA-N 1 3 300.833 4.136 20 0 DIADHO CC(C)(CN1CCC(C)([NH3+])CC1)Sc1ccc(Cl)cc1 ZINC001235749807 1054799289 /nfs/dbraw/zinc/79/92/89/1054799289.db2.gz WXWFLXAUUWWWDV-UHFFFAOYSA-N 1 3 312.910 4.024 20 0 DIADHO CC[N@H+](Cc1cccc(-c2ccccc2)c1C)C1CCNCC1 ZINC001235764443 1054801068 /nfs/dbraw/zinc/80/10/68/1054801068.db2.gz DDKRTJZYHLVNRV-UHFFFAOYSA-N 1 3 308.469 4.236 20 0 DIADHO CC[N@@H+](Cc1cccc(-c2ccccc2)c1C)C1CCNCC1 ZINC001235764443 1054801074 /nfs/dbraw/zinc/80/10/74/1054801074.db2.gz DDKRTJZYHLVNRV-UHFFFAOYSA-N 1 3 308.469 4.236 20 0 DIADHO CCN(Cc1cccc(-c2ccccc2)c1C)C1CC[NH2+]CC1 ZINC001235764443 1054801081 /nfs/dbraw/zinc/80/10/81/1054801081.db2.gz DDKRTJZYHLVNRV-UHFFFAOYSA-N 1 3 308.469 4.236 20 0 DIADHO [NH3+]CC[C@@H]1CCCN1Cc1ccccc1-c1ccccc1Cl ZINC001235925571 1054849302 /nfs/dbraw/zinc/84/93/02/1054849302.db2.gz VYQTYVIVEPBXMN-INIZCTEOSA-N 1 3 314.860 4.320 20 0 DIADHO c1ccc2c(c1)sc1ccc(CN3C[C@@H]4CC[NH2+]C[C@H]4C3)cc12 ZINC001235940332 1054858917 /nfs/dbraw/zinc/85/89/17/1054858917.db2.gz SJOQTZHQCWGDEL-HOTGVXAUSA-N 1 3 322.477 4.096 20 0 DIADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+](C)C[C@H]1CCCNC1 ZINC001235950841 1054867112 /nfs/dbraw/zinc/86/71/12/1054867112.db2.gz NWUVJWKQSLDZQY-HKUYNNGSSA-N 1 3 316.533 4.094 20 0 DIADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)C[C@H]1CCCNC1 ZINC001235950841 1054867119 /nfs/dbraw/zinc/86/71/19/1054867119.db2.gz NWUVJWKQSLDZQY-HKUYNNGSSA-N 1 3 316.533 4.094 20 0 DIADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(C(F)(F)F)cc1 ZINC000624121210 1054883695 /nfs/dbraw/zinc/88/36/95/1054883695.db2.gz QCHZUCVCEMHWOQ-UONOGXRCSA-N 1 3 314.395 4.088 20 0 DIADHO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624119456 1054885778 /nfs/dbraw/zinc/88/57/78/1054885778.db2.gz BJZNUAUBXQAPEH-JKSUJKDBSA-N 1 3 300.446 4.124 20 0 DIADHO CC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(Cl)s1 ZINC000624121464 1054886047 /nfs/dbraw/zinc/88/60/47/1054886047.db2.gz XFDVFHVHFNLPBZ-OLZOCXBDSA-N 1 3 300.899 4.174 20 0 DIADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(C(F)(F)F)c1 ZINC000624119756 1054886380 /nfs/dbraw/zinc/88/63/80/1054886380.db2.gz IWBWSSHDSOFLFM-UONOGXRCSA-N 1 3 314.395 4.088 20 0 DIADHO CCCCCCc1ccc(CN2CC3(C2)CCC[NH2+]CC3)s1 ZINC001236004123 1054891805 /nfs/dbraw/zinc/89/18/05/1054891805.db2.gz BUAKYSNNCIGYOJ-UHFFFAOYSA-N 1 3 320.546 4.446 20 0 DIADHO C[N@H+](Cc1cc2c(s1)CCNC2)C1CCC(C(C)(C)C)CC1 ZINC001236009608 1054893648 /nfs/dbraw/zinc/89/36/48/1054893648.db2.gz WCDCVAZIANAICF-UHFFFAOYSA-N 1 3 320.546 4.431 20 0 DIADHO C[N@@H+](Cc1cc2c(s1)CCNC2)C1CCC(C(C)(C)C)CC1 ZINC001236009608 1054893657 /nfs/dbraw/zinc/89/36/57/1054893657.db2.gz WCDCVAZIANAICF-UHFFFAOYSA-N 1 3 320.546 4.431 20 0 DIADHO [NH3+][C@H]1CCc2ccc(-c3cccc(CN4CCCCC4)c3F)cc21 ZINC001236016853 1054901090 /nfs/dbraw/zinc/90/10/90/1054901090.db2.gz GNLFVUKHZWIPGJ-FQEVSTJZSA-N 1 3 324.443 4.425 20 0 DIADHO C[N@H+](Cc1cccc(-c2ccsc2)c1)[C@@H]1CCCC[C@@H]1N ZINC001236217587 1055005915 /nfs/dbraw/zinc/00/59/15/1055005915.db2.gz PFYXVDUEKROUID-ZWKOTPCHSA-N 1 3 300.471 4.117 20 0 DIADHO C[N@@H+](Cc1cccc(-c2ccsc2)c1)[C@@H]1CCCC[C@@H]1N ZINC001236217587 1055005930 /nfs/dbraw/zinc/00/59/30/1055005930.db2.gz PFYXVDUEKROUID-ZWKOTPCHSA-N 1 3 300.471 4.117 20 0 DIADHO Cc1csc2sc(C[N@@H+](C)[C@H]3CCCC[C@H]3N)c(C)c12 ZINC001236219466 1055008383 /nfs/dbraw/zinc/00/83/83/1055008383.db2.gz WOMJRZQNLVCXLJ-OLZOCXBDSA-N 1 3 308.516 4.281 20 0 DIADHO Cc1csc2sc(C[N@H+](C)[C@H]3CCCC[C@H]3N)c(C)c12 ZINC001236219466 1055008395 /nfs/dbraw/zinc/00/83/95/1055008395.db2.gz WOMJRZQNLVCXLJ-OLZOCXBDSA-N 1 3 308.516 4.281 20 0 DIADHO CN(Cc1cccc(C(F)(F)F)c1Cl)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223832 1055014751 /nfs/dbraw/zinc/01/47/51/1055014751.db2.gz QIWQVXOEBBTIII-HAQNSBGRSA-N 1 3 320.786 4.061 20 0 DIADHO Cc1c(C[N@@H+](C)C2(C)CCNCC2)cccc1-c1ccccc1 ZINC001236227812 1055019123 /nfs/dbraw/zinc/01/91/23/1055019123.db2.gz MMRPQXQGBDGXDT-UHFFFAOYSA-N 1 3 308.469 4.236 20 0 DIADHO Cc1c(C[N@H+](C)C2(C)CCNCC2)cccc1-c1ccccc1 ZINC001236227812 1055019136 /nfs/dbraw/zinc/01/91/36/1055019136.db2.gz MMRPQXQGBDGXDT-UHFFFAOYSA-N 1 3 308.469 4.236 20 0 DIADHO Cc1c(CN(C)C2(C)CC[NH2+]CC2)cccc1-c1ccccc1 ZINC001236227812 1055019140 /nfs/dbraw/zinc/01/91/40/1055019140.db2.gz MMRPQXQGBDGXDT-UHFFFAOYSA-N 1 3 308.469 4.236 20 0 DIADHO Fc1cc(-c2cccc3c2C[NH2+]C3)ccc1CN1CCCCC1 ZINC001236251088 1055036441 /nfs/dbraw/zinc/03/64/41/1055036441.db2.gz MFZBIIOOTXWLOT-UHFFFAOYSA-N 1 3 310.416 4.082 20 0 DIADHO c1ccc(CCCC[N@H+](Cc2ccccc2)C2CCNCC2)cc1 ZINC001236285179 1055047938 /nfs/dbraw/zinc/04/79/38/1055047938.db2.gz BXQOHVHBSVPPIY-UHFFFAOYSA-N 1 3 322.496 4.264 20 0 DIADHO c1ccc(CCCC[N@@H+](Cc2ccccc2)C2CCNCC2)cc1 ZINC001236285179 1055047953 /nfs/dbraw/zinc/04/79/53/1055047953.db2.gz BXQOHVHBSVPPIY-UHFFFAOYSA-N 1 3 322.496 4.264 20 0 DIADHO c1ccc(CCCCN(Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001236285179 1055047965 /nfs/dbraw/zinc/04/79/65/1055047965.db2.gz BXQOHVHBSVPPIY-UHFFFAOYSA-N 1 3 322.496 4.264 20 0 DIADHO c1ccc(C[N@@H+](CCC2CCCCC2)C2CCNCC2)cc1 ZINC001236288117 1055050068 /nfs/dbraw/zinc/05/00/68/1055050068.db2.gz WCKNXJGPJPMGLW-UHFFFAOYSA-N 1 3 300.490 4.211 20 0 DIADHO c1ccc(C[N@H+](CCC2CCCCC2)C2CCNCC2)cc1 ZINC001236288117 1055050081 /nfs/dbraw/zinc/05/00/81/1055050081.db2.gz WCKNXJGPJPMGLW-UHFFFAOYSA-N 1 3 300.490 4.211 20 0 DIADHO c1ccc(CCCC[N@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1 ZINC001236369747 1055076284 /nfs/dbraw/zinc/07/62/84/1055076284.db2.gz CTDKNPRGABGIDN-HXUWFJFHSA-N 1 3 314.517 4.254 20 0 DIADHO c1ccc(CCCC[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1 ZINC001236369747 1055076293 /nfs/dbraw/zinc/07/62/93/1055076293.db2.gz CTDKNPRGABGIDN-HXUWFJFHSA-N 1 3 314.517 4.254 20 0 DIADHO Cc1ccc([C@H](C)CC[N@H+](C[C@H]2CCCNC2)C2CCCC2)o1 ZINC001236371231 1055076321 /nfs/dbraw/zinc/07/63/21/1055076321.db2.gz IICZYVFYJONOGK-AEFFLSMTSA-N 1 3 318.505 4.326 20 0 DIADHO Cc1ccc([C@H](C)CC[N@@H+](C[C@H]2CCCNC2)C2CCCC2)o1 ZINC001236371231 1055076329 /nfs/dbraw/zinc/07/63/29/1055076329.db2.gz IICZYVFYJONOGK-AEFFLSMTSA-N 1 3 318.505 4.326 20 0 DIADHO c1ccc(C2CC2)c(C[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)c1 ZINC001236374692 1055081575 /nfs/dbraw/zinc/08/15/75/1055081575.db2.gz SKMCAKQHDCVGCH-QGZVFWFLSA-N 1 3 312.501 4.308 20 0 DIADHO c1ccc(C2CC2)c(C[N@H+](C[C@@H]2CCCNC2)C2CCCC2)c1 ZINC001236374692 1055081587 /nfs/dbraw/zinc/08/15/87/1055081587.db2.gz SKMCAKQHDCVGCH-QGZVFWFLSA-N 1 3 312.501 4.308 20 0 DIADHO Fc1cc(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)ccc1Cl ZINC001236375053 1055081679 /nfs/dbraw/zinc/08/16/79/1055081679.db2.gz UVNYSCCKIPXPRO-OAHLLOKOSA-N 1 3 324.871 4.223 20 0 DIADHO CCN(Cc1ccccc1-c1ccccc1C)C[C@@H]1CC[NH2+]C1 ZINC001236408407 1055100423 /nfs/dbraw/zinc/10/04/23/1055100423.db2.gz LNSSHFALMTYUDX-GOSISDBHSA-N 1 3 308.469 4.093 20 0 DIADHO CC(C)C1=NCCc2ccc(-c3cccc(C[NH+](C)C)c3)cc21 ZINC001236425768 1055109071 /nfs/dbraw/zinc/10/90/71/1055109071.db2.gz KBTLQEWJPFGUPO-UHFFFAOYSA-N 1 3 306.453 4.416 20 0 DIADHO CC(C)c1ccc(C[N@H+](CC(C)(C)C)C2CCNCC2)cc1 ZINC001236456508 1055124103 /nfs/dbraw/zinc/12/41/03/1055124103.db2.gz FOZNMPVSGOQRMM-UHFFFAOYSA-N 1 3 302.506 4.410 20 0 DIADHO CC(C)c1ccc(C[N@@H+](CC(C)(C)C)C2CCNCC2)cc1 ZINC001236456508 1055124105 /nfs/dbraw/zinc/12/41/05/1055124105.db2.gz FOZNMPVSGOQRMM-UHFFFAOYSA-N 1 3 302.506 4.410 20 0 DIADHO Cc1cc(C[N@H+](CC(C)(C)C)C2CCNCC2)cc(C)c1F ZINC001236457593 1055125095 /nfs/dbraw/zinc/12/50/95/1055125095.db2.gz OKQJFUIDTSQJAF-UHFFFAOYSA-N 1 3 306.469 4.043 20 0 DIADHO Cc1cc(C[N@@H+](CC(C)(C)C)C2CCNCC2)cc(C)c1F ZINC001236457593 1055125099 /nfs/dbraw/zinc/12/50/99/1055125099.db2.gz OKQJFUIDTSQJAF-UHFFFAOYSA-N 1 3 306.469 4.043 20 0 DIADHO Cc1cc(CN(CC(C)(C)C)C2CC[NH2+]CC2)cc(C)c1F ZINC001236457593 1055125106 /nfs/dbraw/zinc/12/51/06/1055125106.db2.gz OKQJFUIDTSQJAF-UHFFFAOYSA-N 1 3 306.469 4.043 20 0 DIADHO CSc1cc(C)cc(C[N@H+](CC(C)(C)C)C2CCNCC2)c1 ZINC001236458931 1055127892 /nfs/dbraw/zinc/12/78/92/1055127892.db2.gz DYRWEHPDFKHASX-UHFFFAOYSA-N 1 3 320.546 4.317 20 0 DIADHO CSc1cc(C)cc(C[N@@H+](CC(C)(C)C)C2CCNCC2)c1 ZINC001236458931 1055127896 /nfs/dbraw/zinc/12/78/96/1055127896.db2.gz DYRWEHPDFKHASX-UHFFFAOYSA-N 1 3 320.546 4.317 20 0 DIADHO CSc1cc(C)cc(CN(CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236458931 1055127904 /nfs/dbraw/zinc/12/79/04/1055127904.db2.gz DYRWEHPDFKHASX-UHFFFAOYSA-N 1 3 320.546 4.317 20 0 DIADHO Cc1cc(F)cc(C[N@H+](C[C@H]2CC=CCC2)C2CCNCC2)c1 ZINC001236481384 1055138861 /nfs/dbraw/zinc/13/88/61/1055138861.db2.gz VFFWOGAABYOXGM-KRWDZBQOSA-N 1 3 316.464 4.044 20 0 DIADHO Cc1cc(F)cc(C[N@@H+](C[C@H]2CC=CCC2)C2CCNCC2)c1 ZINC001236481384 1055138869 /nfs/dbraw/zinc/13/88/69/1055138869.db2.gz VFFWOGAABYOXGM-KRWDZBQOSA-N 1 3 316.464 4.044 20 0 DIADHO Cc1cc(F)ccc1CN(CCCC(C)C)C1CC[NH2+]CC1 ZINC001236518446 1055158276 /nfs/dbraw/zinc/15/82/76/1055158276.db2.gz SIMJCHPLXZJIAK-UHFFFAOYSA-N 1 3 306.469 4.124 20 0 DIADHO Cc1cc(F)ccc1C[N@@H+](CCCC(C)C)C1CCNCC1 ZINC001236518446 1055158282 /nfs/dbraw/zinc/15/82/82/1055158282.db2.gz SIMJCHPLXZJIAK-UHFFFAOYSA-N 1 3 306.469 4.124 20 0 DIADHO Cc1cc(F)ccc1C[N@H+](CCCC(C)C)C1CCNCC1 ZINC001236518446 1055158287 /nfs/dbraw/zinc/15/82/87/1055158287.db2.gz SIMJCHPLXZJIAK-UHFFFAOYSA-N 1 3 306.469 4.124 20 0 DIADHO Cc1cc([C@H](C)NC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000381337294 1055164238 /nfs/dbraw/zinc/16/42/38/1055164238.db2.gz DGYFLEQMENZJEG-INIZCTEOSA-N 1 3 314.498 4.372 20 0 DIADHO CC1(C)CC[C@H]1[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000381886825 1055189136 /nfs/dbraw/zinc/18/91/36/1055189136.db2.gz CAUCDGPDRONEDD-RBUKOAKNSA-N 1 3 300.490 4.067 20 0 DIADHO CC1(C)CC[C@H]1[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000381886826 1055190384 /nfs/dbraw/zinc/19/03/84/1055190384.db2.gz CAUCDGPDRONEDD-RTBURBONSA-N 1 3 300.490 4.067 20 0 DIADHO COC(C)(C)CCC[C@@H](C)CC[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC001236584623 1055199225 /nfs/dbraw/zinc/19/92/25/1055199225.db2.gz MKQYESREGYYSLT-MSOLQXFVSA-N 1 3 324.553 4.072 20 0 DIADHO COC(C)(C)CCC[C@@H](C)CC[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC001236584623 1055199233 /nfs/dbraw/zinc/19/92/33/1055199233.db2.gz MKQYESREGYYSLT-MSOLQXFVSA-N 1 3 324.553 4.072 20 0 DIADHO Cc1ccc(CN(C2CCC2)C2CC[NH2+]CC2)c(C)c1Cl ZINC001236649767 1055212130 /nfs/dbraw/zinc/21/21/30/1055212130.db2.gz ZLPUBFTWPHWYQK-UHFFFAOYSA-N 1 3 306.881 4.063 20 0 DIADHO Cc1ccc(C[N@H+](C2CCC2)C2CCNCC2)c(C)c1Cl ZINC001236649767 1055212139 /nfs/dbraw/zinc/21/21/39/1055212139.db2.gz ZLPUBFTWPHWYQK-UHFFFAOYSA-N 1 3 306.881 4.063 20 0 DIADHO Cc1ccc(C[N@@H+](C2CCC2)C2CCNCC2)c(C)c1Cl ZINC001236649767 1055212145 /nfs/dbraw/zinc/21/21/45/1055212145.db2.gz ZLPUBFTWPHWYQK-UHFFFAOYSA-N 1 3 306.881 4.063 20 0 DIADHO CCC[C@H](Cc1ccccc1)[N@H+](CCC)C[C@@H]1CCCNC1 ZINC001236661307 1055216676 /nfs/dbraw/zinc/21/66/76/1055216676.db2.gz BVQPSAYSCDWCNE-WOJBJXKFSA-N 1 3 302.506 4.109 20 0 DIADHO CCC[C@H](Cc1ccccc1)[N@@H+](CCC)C[C@@H]1CCCNC1 ZINC001236661307 1055216690 /nfs/dbraw/zinc/21/66/90/1055216690.db2.gz BVQPSAYSCDWCNE-WOJBJXKFSA-N 1 3 302.506 4.109 20 0 DIADHO CCCCCCc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)s1 ZINC001236828990 1055279097 /nfs/dbraw/zinc/27/90/97/1055279097.db2.gz JTWNWSUQFPLHLA-QGTPRVQTSA-N 1 3 306.519 4.040 20 0 DIADHO CCCN(Cc1ccc2c(c1)Cc1ccccc1-2)C[C@@H]1CC[NH2+]C1 ZINC001236835960 1055283395 /nfs/dbraw/zinc/28/33/95/1055283395.db2.gz RHNGRWJEHXREBC-GOSISDBHSA-N 1 3 320.480 4.079 20 0 DIADHO CCCN(Cc1sc(Cl)c2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001236842896 1055288399 /nfs/dbraw/zinc/28/83/99/1055288399.db2.gz CAYNTSQXZKROJI-ZDUSSCGKSA-N 1 3 322.905 4.376 20 0 DIADHO Cc1ccccc1-c1ccccc1CN1CCC[C@@](C)(C[NH3+])C1 ZINC001237079807 1055361621 /nfs/dbraw/zinc/36/16/21/1055361621.db2.gz BSAIPQWTIJLSPX-NRFANRHFSA-N 1 3 308.469 4.223 20 0 DIADHO Cc1c(CN2CCC[C@](C)(C[NH3+])C2)cccc1-c1ccccc1 ZINC001237080193 1055361792 /nfs/dbraw/zinc/36/17/92/1055361792.db2.gz DRKRSPJDYWEZOS-OAQYLSRUSA-N 1 3 308.469 4.223 20 0 DIADHO CN(Cc1ccc(C[NH3+])cc1)Cc1cc(Cl)cc(Cl)c1 ZINC001237159988 1055388020 /nfs/dbraw/zinc/38/80/20/1055388020.db2.gz GJLKJFIXKMZZFC-UHFFFAOYSA-N 1 3 309.240 4.084 20 0 DIADHO Cc1c(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cccc1-c1ccccc1 ZINC001237585961 1055479908 /nfs/dbraw/zinc/47/99/08/1055479908.db2.gz SNMZUVQTZSQMDM-QFIPXVFZSA-N 1 3 320.480 4.190 20 0 DIADHO Cc1c(CN2CC[C@]3(CC[N@H+](C)C3)C2)cccc1-c1ccccc1 ZINC001237585961 1055479912 /nfs/dbraw/zinc/47/99/12/1055479912.db2.gz SNMZUVQTZSQMDM-QFIPXVFZSA-N 1 3 320.480 4.190 20 0 DIADHO CCN1C[C@@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3C)C[C@@H]2C1 ZINC001237587760 1055481053 /nfs/dbraw/zinc/48/10/53/1055481053.db2.gz IOWSGENLPAPPJB-OYRHEFFESA-N 1 3 320.480 4.046 20 0 DIADHO CCN1C[C@@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3C)C[C@@H]2C1 ZINC001237587760 1055481056 /nfs/dbraw/zinc/48/10/56/1055481056.db2.gz IOWSGENLPAPPJB-OYRHEFFESA-N 1 3 320.480 4.046 20 0 DIADHO CC(C)C[N@@H+]1CCC[C@@H](CNCc2cccc3ccccc32)C1 ZINC001620868500 1055495816 /nfs/dbraw/zinc/49/58/16/1055495816.db2.gz FJFPHAUGBAJRQN-SFHVURJKSA-N 1 3 310.485 4.297 20 0 DIADHO CC(C)C[N@H+]1CCC[C@@H](CNCc2cccc3ccccc32)C1 ZINC001620868500 1055495821 /nfs/dbraw/zinc/49/58/21/1055495821.db2.gz FJFPHAUGBAJRQN-SFHVURJKSA-N 1 3 310.485 4.297 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@@H+]3CCC[C@H](F)CC3)cc21 ZINC001237881279 1055547537 /nfs/dbraw/zinc/54/75/37/1055547537.db2.gz QACKDTRMDKJVCD-KRWDZBQOSA-N 1 3 302.437 4.012 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@H+]3CCC[C@H](F)CC3)cc21 ZINC001237881279 1055547550 /nfs/dbraw/zinc/54/75/50/1055547550.db2.gz QACKDTRMDKJVCD-KRWDZBQOSA-N 1 3 302.437 4.012 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@@H+]3CCC[C@@H](F)CC3)cc21 ZINC001237881280 1055548891 /nfs/dbraw/zinc/54/88/91/1055548891.db2.gz QACKDTRMDKJVCD-QGZVFWFLSA-N 1 3 302.437 4.012 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@H+]3CCC[C@@H](F)CC3)cc21 ZINC001237881280 1055548906 /nfs/dbraw/zinc/54/89/06/1055548906.db2.gz QACKDTRMDKJVCD-QGZVFWFLSA-N 1 3 302.437 4.012 20 0 DIADHO C[NH+](C)CC[C@@H](NCc1ccc(C(C)(C)C)cc1)C(C)(C)C ZINC001620789910 1055964036 /nfs/dbraw/zinc/96/40/36/1055964036.db2.gz NNENRDGKMXFMIF-GOSISDBHSA-N 1 3 304.522 4.440 20 0 DIADHO CC[NH+](CC)Cc1cccc(CNCc2cc(C)cc(C)c2)c1 ZINC000065932273 1055970305 /nfs/dbraw/zinc/97/03/05/1055970305.db2.gz PZUJGASKJHQGCB-UHFFFAOYSA-N 1 3 310.485 4.435 20 0 DIADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C3CCCC3)c2)C1 ZINC001620818835 1056101152 /nfs/dbraw/zinc/10/11/52/1056101152.db2.gz HCXDETZPHKAPBP-VQTJNVASSA-N 1 3 300.490 4.307 20 0 DIADHO CCN(CC)CCC[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474878426 1056368435 /nfs/dbraw/zinc/36/84/35/1056368435.db2.gz MVJQTOWSSZZGCD-NFOMZHRRSA-N 1 3 308.432 4.065 20 0 DIADHO [NH3+]C1CCN(Cc2ccccc2-c2ccc3occc3c2)CC1 ZINC001240426167 1056501113 /nfs/dbraw/zinc/50/11/13/1056501113.db2.gz XUARDPDPZDNGIO-UHFFFAOYSA-N 1 3 306.409 4.023 20 0 DIADHO Cc1c(C)c(C)c(CN2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1C ZINC001615595968 1056542522 /nfs/dbraw/zinc/54/25/22/1056542522.db2.gz QMGPPICBWHRTCI-HXUWFJFHSA-N 1 3 314.517 4.146 20 0 DIADHO Cc1cccc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1C ZINC000062426794 1056552270 /nfs/dbraw/zinc/55/22/70/1056552270.db2.gz PVOVYOWUZDLKEQ-OAQYLSRUSA-N 1 3 322.496 4.305 20 0 DIADHO Cc1cccc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000062426794 1056552283 /nfs/dbraw/zinc/55/22/83/1056552283.db2.gz PVOVYOWUZDLKEQ-OAQYLSRUSA-N 1 3 322.496 4.305 20 0 DIADHO CN(C)/C=C/c1ccncc1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC001241390609 1057036004 /nfs/dbraw/zinc/03/60/04/1057036004.db2.gz YFFHIANJNRBDHM-RVDMUPIBSA-N 1 3 321.468 4.267 20 0 DIADHO C[C@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000390791447 1057050091 /nfs/dbraw/zinc/05/00/91/1057050091.db2.gz WTJYVYOLBYSZJC-ICSRJNTNSA-N 1 3 308.469 4.249 20 0 DIADHO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000390791447 1057050096 /nfs/dbraw/zinc/05/00/96/1057050096.db2.gz WTJYVYOLBYSZJC-ICSRJNTNSA-N 1 3 308.469 4.249 20 0 DIADHO C[C@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(C(F)F)nc1 ZINC000657890601 1057066171 /nfs/dbraw/zinc/06/61/71/1057066171.db2.gz VQXXTVXCUCGMJQ-WFASDCNBSA-N 1 3 313.436 4.036 20 0 DIADHO C[C@@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(C(F)F)nc1 ZINC000657890598 1057066716 /nfs/dbraw/zinc/06/67/16/1057066716.db2.gz VQXXTVXCUCGMJQ-DOMZBBRYSA-N 1 3 313.436 4.036 20 0 DIADHO C[C@@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(C(F)F)nc1 ZINC000657890599 1057066738 /nfs/dbraw/zinc/06/67/38/1057066738.db2.gz VQXXTVXCUCGMJQ-IUODEOHRSA-N 1 3 313.436 4.036 20 0 DIADHO c1ccc(C[N@H+]2CC=C(c3ccc(CN4CCC4)cc3)CC2)cc1 ZINC001241506388 1057077720 /nfs/dbraw/zinc/07/77/20/1057077720.db2.gz DOTSQAGWPWVSIU-UHFFFAOYSA-N 1 3 318.464 4.182 20 0 DIADHO c1ccc(C[N@@H+]2CC=C(c3ccc(CN4CCC4)cc3)CC2)cc1 ZINC001241506388 1057077733 /nfs/dbraw/zinc/07/77/33/1057077733.db2.gz DOTSQAGWPWVSIU-UHFFFAOYSA-N 1 3 318.464 4.182 20 0 DIADHO Fc1ccc(-c2ccc3c(c2)C[NH2+]C3)cc1CN1CCCCC1 ZINC001242677185 1057444714 /nfs/dbraw/zinc/44/47/14/1057444714.db2.gz ZUPONCQWFBOZRW-UHFFFAOYSA-N 1 3 310.416 4.082 20 0 DIADHO CCN(CC)Cc1cc(-c2ccc(C[NH2+]C)cc2)ccc1F ZINC001242993186 1057539259 /nfs/dbraw/zinc/53/92/59/1057539259.db2.gz HADXMLJYGQIRLZ-UHFFFAOYSA-N 1 3 300.421 4.054 20 0 DIADHO [NH3+]C1CCN(Cc2ccccc2-c2ccc3sccc3c2)CC1 ZINC001244297597 1057925953 /nfs/dbraw/zinc/92/59/53/1057925953.db2.gz IFQUYRMDWVMLPF-UHFFFAOYSA-N 1 3 322.477 4.491 20 0 DIADHO CCN(CC)Cc1ccc(-c2cccc(C[NH2+]C)c2F)cc1F ZINC001244864383 1058060262 /nfs/dbraw/zinc/06/02/62/1058060262.db2.gz LUYQLKMFMVXYGZ-UHFFFAOYSA-N 1 3 318.411 4.193 20 0 DIADHO c1cc(C2=NCCC2)cc(-c2ccc(C3CC[NH2+]CC3)cc2)c1 ZINC001245527191 1058204787 /nfs/dbraw/zinc/20/47/87/1058204787.db2.gz PVJSXZJQSFRVSW-UHFFFAOYSA-N 1 3 304.437 4.404 20 0 DIADHO c1ccc([C@@H]2C[C@@H](N[C@H](c3ccncc3)C3CCC3)CC[NH2+]2)cc1 ZINC001550351846 1058338981 /nfs/dbraw/zinc/33/89/81/1058338981.db2.gz SLDUAVMSHINFEF-ACRUOGEOSA-N 1 3 321.468 4.006 20 0 DIADHO Clc1cccc(Cl)c1CNC1CCC2(CC[NH2+]C2)CC1 ZINC001246074964 1058666069 /nfs/dbraw/zinc/66/60/69/1058666069.db2.gz RNNKNPUYMVQOSL-UHFFFAOYSA-N 1 3 313.272 4.005 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246111448 1058680144 /nfs/dbraw/zinc/68/01/44/1058680144.db2.gz OUUDEHPQRZLKMZ-LVCYWYKZSA-N 1 3 322.496 4.327 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246111439 1058680477 /nfs/dbraw/zinc/68/04/77/1058680477.db2.gz OUUDEHPQRZLKMZ-LQWHRVPQSA-N 1 3 322.496 4.327 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246108200 1058680578 /nfs/dbraw/zinc/68/05/78/1058680578.db2.gz GPNDMAABNJDENW-BZPMIXESSA-N 1 3 315.288 4.045 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246111453 1058680931 /nfs/dbraw/zinc/68/09/31/1058680931.db2.gz OUUDEHPQRZLKMZ-OPYAIIAOSA-N 1 3 322.496 4.327 20 0 DIADHO C[C@@H]1C[C@H]([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)CCN1 ZINC001246112333 1058681104 /nfs/dbraw/zinc/68/11/04/1058681104.db2.gz RGIIVEGENSFFOW-WGDNJCCTSA-N 1 3 306.881 4.096 20 0 DIADHO CC[C@@H]1C[C@H](NCCc2ccc(Oc3ccccc3)cc2)CC[NH2+]1 ZINC001246158856 1058700735 /nfs/dbraw/zinc/70/07/35/1058700735.db2.gz MOOLISJJJRNMFG-RTBURBONSA-N 1 3 324.468 4.142 20 0 DIADHO CC[C@@H]1C[C@H]([NH2+]CCc2ccc(Oc3ccccc3)cc2)CCN1 ZINC001246158856 1058700760 /nfs/dbraw/zinc/70/07/60/1058700760.db2.gz MOOLISJJJRNMFG-RTBURBONSA-N 1 3 324.468 4.142 20 0 DIADHO C[C@@H]1CC([NH2+]CCc2cccc(Oc3ccccc3)c2)C[C@@H](C)N1 ZINC001246159969 1058702209 /nfs/dbraw/zinc/70/22/09/1058702209.db2.gz QULJWSDQWXIFOM-IAGOWNOFSA-N 1 3 324.468 4.140 20 0 DIADHO C[C@@H]1CC(NCCc2cccc(Oc3ccccc3)c2)C[C@@H](C)[NH2+]1 ZINC001246159969 1058702230 /nfs/dbraw/zinc/70/22/30/1058702230.db2.gz QULJWSDQWXIFOM-IAGOWNOFSA-N 1 3 324.468 4.140 20 0 DIADHO CC[C@H]1C[C@@H](NCCc2ccc(Oc3ccccc3)cc2)CC[NH2+]1 ZINC001246158851 1058702783 /nfs/dbraw/zinc/70/27/83/1058702783.db2.gz MOOLISJJJRNMFG-OALUTQOASA-N 1 3 324.468 4.142 20 0 DIADHO CC[C@H]1C[C@@H]([NH2+]CCc2ccc(Oc3ccccc3)cc2)CCN1 ZINC001246158851 1058702802 /nfs/dbraw/zinc/70/28/02/1058702802.db2.gz MOOLISJJJRNMFG-OALUTQOASA-N 1 3 324.468 4.142 20 0 DIADHO Cc1ccc(F)c(CNC2CCC3(CC[NH2+]CC3)CC2)c1Cl ZINC001246157773 1058703117 /nfs/dbraw/zinc/70/31/17/1058703117.db2.gz DUTPYYZFXAPJFE-UHFFFAOYSA-N 1 3 324.871 4.190 20 0 DIADHO CC(C)c1ccc(C[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246163029 1058705651 /nfs/dbraw/zinc/70/56/51/1058705651.db2.gz VAZZZPSHNQSIDH-YADHBBJMSA-N 1 3 322.496 4.263 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccc(F)cc2)CCN1 ZINC001246173558 1058715690 /nfs/dbraw/zinc/71/56/90/1058715690.db2.gz UPBSBDBTDJRIRU-MSOLQXFVSA-N 1 3 306.469 4.047 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH2+]CCCc2ccc(Cl)cc2)CCN1 ZINC001246183483 1058725589 /nfs/dbraw/zinc/72/55/89/1058725589.db2.gz YHGQDVXWHIMONO-ROUUACIJSA-N 1 3 308.897 4.173 20 0 DIADHO CC[C@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccc3ccccc3c2)CCN1 ZINC001246191605 1058735849 /nfs/dbraw/zinc/73/58/49/1058735849.db2.gz OORBGZGZVVCROB-PMACEKPBSA-N 1 3 310.485 4.281 20 0 DIADHO Cc1cc(F)cc(C)c1CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246201062 1058741830 /nfs/dbraw/zinc/74/18/30/1058741830.db2.gz UKLOTLWBZMTELK-AZUAARDMSA-N 1 3 312.432 4.025 20 0 DIADHO CC(C)(C)[C@H]1C[C@H](NCCc2ccc3ccccc3c2)CC[NH2+]1 ZINC001246231730 1058757002 /nfs/dbraw/zinc/75/70/02/1058757002.db2.gz DPFLEGZNJNIRJF-WOJBJXKFSA-N 1 3 310.485 4.139 20 0 DIADHO Cc1ccc(C(C)(C)[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246237873 1058759818 /nfs/dbraw/zinc/75/98/18/1058759818.db2.gz JICAEOXYRHKQHT-SFTDATJTSA-N 1 3 322.496 4.183 20 0 DIADHO C[C@@H](Cc1ccc(Cl)cc1Cl)NCC[C@H]1CCCC[NH2+]1 ZINC001246244086 1058763892 /nfs/dbraw/zinc/76/38/92/1058763892.db2.gz KKMABPVYVBFGBL-SWLSCSKDSA-N 1 3 315.288 4.046 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+]CC(C)(C)CN ZINC001246248986 1058768614 /nfs/dbraw/zinc/76/86/14/1058768614.db2.gz IEVFCQKGHPLZLS-KRWDZBQOSA-N 1 3 310.485 4.172 20 0 DIADHO C[NH2+]C1CCC(N[C@@H](C)c2c(Cl)cccc2Cl)CC1 ZINC001246252277 1058771153 /nfs/dbraw/zinc/77/11/53/1058771153.db2.gz HGVGQVVAYJJGJV-UNXYVOJBSA-N 1 3 301.261 4.175 20 0 DIADHO CC(C)[C@@H]1C[C@H](N[C@@H](c2ccccc2)C2CCCC2)CC[NH2+]1 ZINC001246268100 1058783615 /nfs/dbraw/zinc/78/36/15/1058783615.db2.gz HUMPCCOHOFWEBK-AABGKKOBSA-N 1 3 300.490 4.284 20 0 DIADHO Cc1cccc([C@@H](C)[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)c1 ZINC001246267732 1058784735 /nfs/dbraw/zinc/78/47/35/1058784735.db2.gz WLOUGVOESOKJPS-JRGCBEDISA-N 1 3 308.469 4.009 20 0 DIADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)c1 ZINC001246267731 1058785736 /nfs/dbraw/zinc/78/57/36/1058785736.db2.gz WLOUGVOESOKJPS-DUXKGJEZSA-N 1 3 308.469 4.009 20 0 DIADHO c1ccc(C[C@H]2C[C@@H](N[C@@H](c3ccccc3)C3CC3)CC[NH2+]2)cc1 ZINC001246274513 1058788689 /nfs/dbraw/zinc/78/86/89/1058788689.db2.gz VSPHHQMOESULDM-FKBYEOEOSA-N 1 3 320.480 4.091 20 0 DIADHO c1ccc(C[C@H]2C[C@@H]([NH2+][C@@H](c3ccccc3)C3CC3)CCN2)cc1 ZINC001246274513 1058788706 /nfs/dbraw/zinc/78/87/06/1058788706.db2.gz VSPHHQMOESULDM-FKBYEOEOSA-N 1 3 320.480 4.091 20 0 DIADHO OCCCCCCCCCCCC[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC001246274634 1058792238 /nfs/dbraw/zinc/79/22/38/1058792238.db2.gz YMCADGXTGRMHKT-LJQANCHMSA-N 1 3 324.553 4.144 20 0 DIADHO C[C@H](CSc1ccc(Cl)cc1)[NH2+]CC1(N)CCCCC1 ZINC001246280819 1058794252 /nfs/dbraw/zinc/79/42/52/1058794252.db2.gz XPNZQXMAXSSCLI-CYBMUJFWSA-N 1 3 312.910 4.072 20 0 DIADHO CCCC[C@@H]1C[C@H](N[C@H](c2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246284008 1058797932 /nfs/dbraw/zinc/79/79/32/1058797932.db2.gz CAJFGYZNKMYHHZ-VAMGGRTRSA-N 1 3 300.490 4.428 20 0 DIADHO CC[C@@H]1C[C@H](N[C@@H](c2ccccc2)C2CCC2)C[C@H](CC)[NH2+]1 ZINC001246286956 1058801399 /nfs/dbraw/zinc/80/13/99/1058801399.db2.gz IWZZMRXNSKHALX-NMLBUPMWSA-N 1 3 300.490 4.427 20 0 DIADHO Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)c1 ZINC001246297776 1058811856 /nfs/dbraw/zinc/81/18/56/1058811856.db2.gz OFMXUKYBDDYGIW-BVYCBKJFSA-N 1 3 322.496 4.317 20 0 DIADHO CC[C@@H](N[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccccc1C ZINC001246315885 1058824587 /nfs/dbraw/zinc/82/45/87/1058824587.db2.gz XDFBJAHJKRAVNP-JAXLGGSGSA-N 1 3 322.496 4.399 20 0 DIADHO CC[C@@H]([NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1)c1ccccc1C ZINC001246315885 1058824606 /nfs/dbraw/zinc/82/46/06/1058824606.db2.gz XDFBJAHJKRAVNP-JAXLGGSGSA-N 1 3 322.496 4.399 20 0 DIADHO CCCC[C@H]1C[C@H]([NH2+]CCC2CCC(F)(F)CC2)CCN1 ZINC001246321299 1058835767 /nfs/dbraw/zinc/83/57/67/1058835767.db2.gz MHGUQHNURLLVMB-JKSUJKDBSA-N 1 3 302.453 4.102 20 0 DIADHO c1ccc2c(c1)Oc1ccccc1C2NC1CCC2(C[NH2+]C2)CC1 ZINC001246326327 1058839204 /nfs/dbraw/zinc/83/92/04/1058839204.db2.gz LZCVMKCWXMGDQI-UHFFFAOYSA-N 1 3 320.436 4.004 20 0 DIADHO CCCCCC[C@H](CC)[NH2+]C[C@@H]1CCN[C@@H]1c1cccnc1 ZINC001246340052 1058847579 /nfs/dbraw/zinc/84/75/79/1058847579.db2.gz KODOXEROLFWOER-GBESFXJTSA-N 1 3 303.494 4.071 20 0 DIADHO CC(C)(N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC001246349712 1058860702 /nfs/dbraw/zinc/86/07/02/1058860702.db2.gz NYOYWEOCMOCUCK-RTBURBONSA-N 1 3 312.432 4.144 20 0 DIADHO c1ccc([C@H]2C[C@@H](NCc3cccc(C4CC4)c3)CC[NH2+]2)cc1 ZINC001246361803 1058868984 /nfs/dbraw/zinc/86/89/84/1058868984.db2.gz JPPHADNNSHLGQC-LEWJYISDSA-N 1 3 306.453 4.147 20 0 DIADHO C[C@@H](CC(C)(C)SCc1ccco1)[NH2+][C@H]1CCNCC1(C)C ZINC001246370718 1058873136 /nfs/dbraw/zinc/87/31/36/1058873136.db2.gz GKAAKWDCKUYDFO-HOCLYGCPSA-N 1 3 324.534 4.048 20 0 DIADHO CCc1ccc([C@@H](C)[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246370750 1058874990 /nfs/dbraw/zinc/87/49/90/1058874990.db2.gz GRWLJNVYUICDPQ-WTNAPCKOSA-N 1 3 322.496 4.263 20 0 DIADHO Cc1ccccc1CC(C)(C)[NH2+][C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246373203 1058876821 /nfs/dbraw/zinc/87/68/21/1058876821.db2.gz PAFWQMLYOGWZJU-MSOLQXFVSA-N 1 3 302.506 4.072 20 0 DIADHO Cc1ccccc1CC(C)(C)[NH2+][C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246373206 1058877532 /nfs/dbraw/zinc/87/75/32/1058877532.db2.gz PAFWQMLYOGWZJU-ZWKOTPCHSA-N 1 3 302.506 4.072 20 0 DIADHO CCCCC[C@@H](CC)[NH2+]C1(c2ccccc2OC)CCNCC1 ZINC001246374492 1058878834 /nfs/dbraw/zinc/87/88/34/1058878834.db2.gz DREZMDQNDARRDK-QGZVFWFLSA-N 1 3 318.505 4.222 20 0 DIADHO CCCC[C@H]1C[C@H]([NH2+]C(C)(C)Cc2ccccc2C)CCN1 ZINC001246373955 1058880041 /nfs/dbraw/zinc/88/00/41/1058880041.db2.gz SIBRSGOGSICQIB-RBUKOAKNSA-N 1 3 302.506 4.217 20 0 DIADHO CC1(C)CNCC[C@H]1[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246377330 1058881673 /nfs/dbraw/zinc/88/16/73/1058881673.db2.gz NOHLJMNGWYKRIG-VMWRSERWSA-N 1 3 320.908 4.344 20 0 DIADHO CCC(C)(C)C1CCC([NH2+]C2(CC3CC3)CCNCC2)CC1 ZINC001246379722 1058884484 /nfs/dbraw/zinc/88/44/84/1058884484.db2.gz BJWZSGAMQWCQMM-UHFFFAOYSA-N 1 3 306.538 4.493 20 0 DIADHO CC[C@@H]1CC[C@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)C1 ZINC001246384714 1058887333 /nfs/dbraw/zinc/88/73/33/1058887333.db2.gz AGVDOBKOOFXJDS-QAPCUYQASA-N 1 3 320.908 4.173 20 0 DIADHO CC1(C)CC[C@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)C1 ZINC001246381547 1058887385 /nfs/dbraw/zinc/88/73/85/1058887385.db2.gz PRJZYHMXQXUAGD-INIZCTEOSA-N 1 3 320.908 4.173 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[NH2+]C1(CC2CC2)CCNCC1 ZINC001246381855 1058889123 /nfs/dbraw/zinc/88/91/23/1058889123.db2.gz SJMGAXFJMKMPRA-HXUWFJFHSA-N 1 3 314.517 4.300 20 0 DIADHO CC[C@H]1CC(NC2(Cc3ccc(F)cc3)CCC2)C[C@H](CC)[NH2+]1 ZINC001246388462 1058892871 /nfs/dbraw/zinc/89/28/71/1058892871.db2.gz HOOVDFWSCVHWGZ-ROUUACIJSA-N 1 3 318.480 4.190 20 0 DIADHO CC(C)CC[C@@H](C)[NH2+]C1(Cc2ccc(Cl)cc2)CCNCC1 ZINC001246394338 1058897426 /nfs/dbraw/zinc/89/74/26/1058897426.db2.gz ROXPYKOZTZOHQB-MRXNPFEDSA-N 1 3 322.924 4.419 20 0 DIADHO CCCC(CCC)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246393576 1058897540 /nfs/dbraw/zinc/89/75/40/1058897540.db2.gz VSVOELDGXQWGQV-UHFFFAOYSA-N 1 3 306.469 4.049 20 0 DIADHO CC(C)=CCC[C@@H](C)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246392338 1058898816 /nfs/dbraw/zinc/89/88/16/1058898816.db2.gz RXLFHBIHWFBOBQ-QGZVFWFLSA-N 1 3 318.480 4.215 20 0 DIADHO CCCC[C@H]1C[C@@H](NC2(Cc3cccc(F)c3)CCC2)CC[NH2+]1 ZINC001246395362 1058900089 /nfs/dbraw/zinc/90/00/89/1058900089.db2.gz VGCVTQYFZHFMOJ-OALUTQOASA-N 1 3 318.480 4.191 20 0 DIADHO CC1(C)C[C@H](NC2(c3ccccc3)CCC(F)(F)CC2)CC[NH2+]1 ZINC001246398597 1058902373 /nfs/dbraw/zinc/90/23/73/1058902373.db2.gz FEFYMJTVOQBGEJ-MRXNPFEDSA-N 1 3 322.443 4.211 20 0 DIADHO C[C@@H]1CC([NH2+]C2(CC3CCC3)CCC(F)(F)CC2)C[C@@H](C)N1 ZINC001246405746 1058908464 /nfs/dbraw/zinc/90/84/64/1058908464.db2.gz NLSGCFJRJJGMCK-ZIAGYGMSSA-N 1 3 314.464 4.243 20 0 DIADHO Cc1cccc(C2(N[C@@H]3CC[NH2+][C@H](C)C3)CCC(F)(F)CC2)c1 ZINC001246411092 1058914812 /nfs/dbraw/zinc/91/48/12/1058914812.db2.gz ZQEYRZQVEZUVLC-NVXWUHKLSA-N 1 3 322.443 4.130 20 0 DIADHO Cc1cccc(C2([NH2+][C@@H]3CCN[C@H](C)C3)CCC(F)(F)CC2)c1 ZINC001246411092 1058914832 /nfs/dbraw/zinc/91/48/32/1058914832.db2.gz ZQEYRZQVEZUVLC-NVXWUHKLSA-N 1 3 322.443 4.130 20 0 DIADHO CCCCC[C@H](CC)NC1(c2cccc(OC)c2)CC[NH2+]CC1 ZINC001246413535 1058915815 /nfs/dbraw/zinc/91/58/15/1058915815.db2.gz DNLYIUUXHZEOAJ-SFHVURJKSA-N 1 3 318.505 4.222 20 0 DIADHO CCCC[C@H]1C[C@H]([NH2+]C(C)(C)Cc2cccc(F)c2)CCN1 ZINC001246412642 1058915925 /nfs/dbraw/zinc/91/59/25/1058915925.db2.gz UCEZPZQVROUMDL-ZWKOTPCHSA-N 1 3 306.469 4.047 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+]CC2(C)CCC(F)(F)CC2)CCN1 ZINC001246425296 1058917425 /nfs/dbraw/zinc/91/74/25/1058917425.db2.gz ACDBKUHKBBFNAC-CABCVRRESA-N 1 3 302.453 4.102 20 0 DIADHO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)c1 ZINC001246415249 1058919566 /nfs/dbraw/zinc/91/95/66/1058919566.db2.gz NTSMFWWFVMRYLE-CEWLAPEOSA-N 1 3 322.496 4.317 20 0 DIADHO CCCC[C@@H](CCC)NC1(c2cccc(OC)c2)CC[NH2+]CC1 ZINC001246416075 1058920093 /nfs/dbraw/zinc/92/00/93/1058920093.db2.gz PXMZNKNISYYSMU-GOSISDBHSA-N 1 3 318.505 4.222 20 0 DIADHO C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3F)CCNCC2)CC(C)(C)C1 ZINC001246431857 1058924587 /nfs/dbraw/zinc/92/45/87/1058924587.db2.gz UIWCSYSPSTUCPR-HZPDHXFCSA-N 1 3 318.480 4.209 20 0 DIADHO CC[C@H](C)C[C@H](CC)NC1(c2cccc(F)c2)CC[NH2+]CC1 ZINC001246434110 1058926003 /nfs/dbraw/zinc/92/60/03/1058926003.db2.gz AKOIXKIGJVDVSH-YJBOKZPZSA-N 1 3 306.469 4.209 20 0 DIADHO CCC[C@H](C)CC[C@@H](C)NC1(c2ccccc2)CC[NH2+]CC1 ZINC001246433186 1058926386 /nfs/dbraw/zinc/92/63/86/1058926386.db2.gz ZBWHTKSKWJPMBL-ZWKOTPCHSA-N 1 3 302.506 4.460 20 0 DIADHO CC(C)CCC[C@@H](C)[NH2+]C1(c2ccccc2F)CCNCC1 ZINC001246431804 1058926485 /nfs/dbraw/zinc/92/64/85/1058926485.db2.gz SYGNAPQTESRQRV-MRXNPFEDSA-N 1 3 306.469 4.209 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+]CC(C)(C)Cc2ccccc2C)CCN1 ZINC001246435449 1058930163 /nfs/dbraw/zinc/93/01/63/1058930163.db2.gz QPKJADORHXWZIH-WOJBJXKFSA-N 1 3 316.533 4.464 20 0 DIADHO CC[C@@H]1CC[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)C1 ZINC001246436041 1058930542 /nfs/dbraw/zinc/93/05/42/1058930542.db2.gz ISMPXDUSDDBQHZ-QAPCUYQASA-N 1 3 320.908 4.173 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H](NC2(Cc3ccccc3F)CCC2)CC[NH2+]1 ZINC001246437184 1058931254 /nfs/dbraw/zinc/93/12/54/1058931254.db2.gz ZQIBYDQKTXYPTB-WMZOPIPTSA-N 1 3 318.480 4.047 20 0 DIADHO CC[C@@H](CC(C)C)NC1(c2cccc(Cl)c2)CC[NH2+]CC1 ZINC001246438518 1058931561 /nfs/dbraw/zinc/93/15/61/1058931561.db2.gz QPWCGWGLPJWZLR-KRWDZBQOSA-N 1 3 308.897 4.333 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH2+]CC2(Cc3cccc(F)c3)CC2)CCN1 ZINC001246439268 1058935908 /nfs/dbraw/zinc/93/59/08/1058935908.db2.gz NXUZRKPGZMBHHT-OALUTQOASA-N 1 3 318.480 4.049 20 0 DIADHO CCc1ccc(C[C@H](C)[NH2+]C2(CC3CCC3)CCNCC2)cc1 ZINC001246449032 1058938100 /nfs/dbraw/zinc/93/81/00/1058938100.db2.gz VPYIDTKIFGQVLO-KRWDZBQOSA-N 1 3 314.517 4.082 20 0 DIADHO C(C1CCC1)C1([NH2+]C2CCC3(CCCC3)CC2)CCNCC1 ZINC001246449116 1058938342 /nfs/dbraw/zinc/93/83/42/1058938342.db2.gz WKGZWSLUHWUSSR-UHFFFAOYSA-N 1 3 304.522 4.391 20 0 DIADHO c1ccc([C@@H]2CC[C@H]([NH2+]C3(CC4CCC4)CCNCC3)C2)cc1 ZINC001246448431 1058938636 /nfs/dbraw/zinc/93/86/36/1058938636.db2.gz UKIUVFXKOOVEJF-UXHICEINSA-N 1 3 312.501 4.225 20 0 DIADHO CC(C)(C)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCN1 ZINC001246460236 1058943323 /nfs/dbraw/zinc/94/33/23/1058943323.db2.gz DUVQBSOUIABMQE-FCGDIQPGSA-N 1 3 300.490 4.079 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCN1 ZINC001246460237 1058944681 /nfs/dbraw/zinc/94/46/81/1058944681.db2.gz DUVQBSOUIABMQE-HCXYKTFWSA-N 1 3 300.490 4.079 20 0 DIADHO Cc1ccccc1C1(N[C@H]2CC[NH2+][C@@H](C)C2)CCC(F)(F)CC1 ZINC001246457597 1058946594 /nfs/dbraw/zinc/94/65/94/1058946594.db2.gz OBOKKCNPXRCSJQ-HOTGVXAUSA-N 1 3 322.443 4.130 20 0 DIADHO Cc1ccccc1C1([NH2+][C@H]2CCN[C@@H](C)C2)CCC(F)(F)CC1 ZINC001246457597 1058946620 /nfs/dbraw/zinc/94/66/20/1058946620.db2.gz OBOKKCNPXRCSJQ-HOTGVXAUSA-N 1 3 322.443 4.130 20 0 DIADHO CCCCCC[C@@H](C)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246470885 1058956164 /nfs/dbraw/zinc/95/61/64/1058956164.db2.gz YPQMAHXFYYOQJQ-QGZVFWFLSA-N 1 3 320.496 4.439 20 0 DIADHO CCCCC[C@H](CC)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246469973 1058956508 /nfs/dbraw/zinc/95/65/08/1058956508.db2.gz YBURDIRKJOWJGG-IBGZPJMESA-N 1 3 302.506 4.300 20 0 DIADHO CC[C@@H]1C[C@H](N[C@H]2CCCCc3ccccc32)C[C@H](CC)[NH2+]1 ZINC001246496569 1058969287 /nfs/dbraw/zinc/96/92/87/1058969287.db2.gz JRXVUWRWFIUYPD-XFKSJGNHSA-N 1 3 300.490 4.353 20 0 DIADHO c1ccc2c(c1)CCCC[C@H]2N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246499526 1058975490 /nfs/dbraw/zinc/97/54/90/1058975490.db2.gz ZLWJVIJWXDPKIZ-UYAOXDASSA-N 1 3 312.501 4.499 20 0 DIADHO C[C@H](Cc1cccc(Cl)c1)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246510665 1058976341 /nfs/dbraw/zinc/97/63/41/1058976341.db2.gz IVMXREMIUGPAMT-QAPCUYQASA-N 1 3 320.908 4.316 20 0 DIADHO C[C@H](Cc1cccc(Cl)c1)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246510660 1058976811 /nfs/dbraw/zinc/97/68/11/1058976811.db2.gz IVMXREMIUGPAMT-CRAIPNDOSA-N 1 3 320.908 4.316 20 0 DIADHO C[C@@H](Cc1cccc(Cl)c1)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246510663 1058977018 /nfs/dbraw/zinc/97/70/18/1058977018.db2.gz IVMXREMIUGPAMT-MAUKXSAKSA-N 1 3 320.908 4.316 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246508007 1058977407 /nfs/dbraw/zinc/97/74/07/1058977407.db2.gz CKICVOLRAFZWLV-NMLBUPMWSA-N 1 3 314.517 4.469 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)CCN1 ZINC001246521112 1058984449 /nfs/dbraw/zinc/98/44/49/1058984449.db2.gz WJDHLDWHTQQVRE-UXHICEINSA-N 1 3 314.517 4.108 20 0 DIADHO N[C@@H]1CCC[N@@H+](C2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC001246548165 1059001496 /nfs/dbraw/zinc/00/14/96/1059001496.db2.gz RTAFJLOBYMWUMQ-IIIMJFFVSA-N 1 3 306.881 4.179 20 0 DIADHO N[C@@H]1CCC[N@H+](C2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC001246548165 1059001504 /nfs/dbraw/zinc/00/15/04/1059001504.db2.gz RTAFJLOBYMWUMQ-IIIMJFFVSA-N 1 3 306.881 4.179 20 0 DIADHO C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCCC[C@H](CN)C1 ZINC001246582566 1059009618 /nfs/dbraw/zinc/00/96/18/1059009618.db2.gz NTSIWTNZXNFYOT-JKSUJKDBSA-N 1 3 324.534 4.131 20 0 DIADHO C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CCCC[C@H](CN)C1 ZINC001246582566 1059009637 /nfs/dbraw/zinc/00/96/37/1059009637.db2.gz NTSIWTNZXNFYOT-JKSUJKDBSA-N 1 3 324.534 4.131 20 0 DIADHO CC1(C)C[C@@H]([NH+]2CCC(Cc3cccc(Cl)c3)CC2)CCN1 ZINC001246588059 1059010895 /nfs/dbraw/zinc/01/08/95/1059010895.db2.gz BFVJGRDLEGUROJ-SFHVURJKSA-N 1 3 320.908 4.125 20 0 DIADHO CCc1ccc(C[C@@H](C)[N@H+](C(C)C)[C@@H]2CCCNCC2)cc1 ZINC001246581774 1059011693 /nfs/dbraw/zinc/01/16/93/1059011693.db2.gz AMEAVHPKDGXVOO-YLJYHZDGSA-N 1 3 302.506 4.033 20 0 DIADHO CCc1ccc(C[C@@H](C)[N@@H+](C(C)C)[C@@H]2CCCNCC2)cc1 ZINC001246581774 1059011715 /nfs/dbraw/zinc/01/17/15/1059011715.db2.gz AMEAVHPKDGXVOO-YLJYHZDGSA-N 1 3 302.506 4.033 20 0 DIADHO CC[C@@H]1C[C@@H](N2CCC(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246595395 1059015213 /nfs/dbraw/zinc/01/52/13/1059015213.db2.gz NGYPVKADOIJCFN-MSOLQXFVSA-N 1 3 306.881 4.050 20 0 DIADHO CC[C@H]1C[C@@H]([N@H+](Cc2ccccc2)C2CCCCC2)CCN1 ZINC001246593166 1059016945 /nfs/dbraw/zinc/01/69/45/1059016945.db2.gz ANBSTMMBMDYRJV-ICSRJNTNSA-N 1 3 300.490 4.352 20 0 DIADHO CC[C@H]1C[C@@H]([N@@H+](Cc2ccccc2)C2CCCCC2)CCN1 ZINC001246593166 1059016969 /nfs/dbraw/zinc/01/69/69/1059016969.db2.gz ANBSTMMBMDYRJV-ICSRJNTNSA-N 1 3 300.490 4.352 20 0 DIADHO CC[C@H]1C[C@H]([NH+]2CCC(Cc3cccc(Cl)c3)CC2)CCN1 ZINC001246601332 1059023151 /nfs/dbraw/zinc/02/31/51/1059023151.db2.gz UUDCDWRUIBTYNX-RBUKOAKNSA-N 1 3 320.908 4.125 20 0 DIADHO CC[C@H]1C[C@H](N2CCC(Cc3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246601332 1059023173 /nfs/dbraw/zinc/02/31/73/1059023173.db2.gz UUDCDWRUIBTYNX-RBUKOAKNSA-N 1 3 320.908 4.125 20 0 DIADHO CC[C@H]1C[C@@H]([NH+]2CCC(Cc3cccc(Cl)c3)CC2)CCN1 ZINC001246601329 1059023799 /nfs/dbraw/zinc/02/37/99/1059023799.db2.gz UUDCDWRUIBTYNX-OALUTQOASA-N 1 3 320.908 4.125 20 0 DIADHO CC[C@H]1C[C@@H](N2CCC(Cc3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246601329 1059023823 /nfs/dbraw/zinc/02/38/23/1059023823.db2.gz UUDCDWRUIBTYNX-OALUTQOASA-N 1 3 320.908 4.125 20 0 DIADHO c1ccc([C@@H]2CCC[C@H]([N@@H+]3CCC[C@]4(CCCNC4)C3)C2)cc1 ZINC001246610640 1059028617 /nfs/dbraw/zinc/02/86/17/1059028617.db2.gz QSMTZDDAIMYWJT-HKBOAZHASA-N 1 3 312.501 4.178 20 0 DIADHO c1ccc([C@@H]2CCC[C@H]([N@H+]3CCC[C@]4(CCCNC4)C3)C2)cc1 ZINC001246610640 1059028637 /nfs/dbraw/zinc/02/86/37/1059028637.db2.gz QSMTZDDAIMYWJT-HKBOAZHASA-N 1 3 312.501 4.178 20 0 DIADHO CCC[C@H](CCc1ccccc1)[N@@H+]1CCC[C@@]2(CCCNC2)C1 ZINC001246609081 1059030056 /nfs/dbraw/zinc/03/00/56/1059030056.db2.gz KPDFJDKXQOWRCM-NHCUHLMSSA-N 1 3 314.517 4.254 20 0 DIADHO CCC[C@H](CCc1ccccc1)[N@H+]1CCC[C@@]2(CCCNC2)C1 ZINC001246609081 1059030078 /nfs/dbraw/zinc/03/00/78/1059030078.db2.gz KPDFJDKXQOWRCM-NHCUHLMSSA-N 1 3 314.517 4.254 20 0 DIADHO CCCC[C@H]1C[C@@H](N2CCC3(C=Cc4ccccc43)CC2)CC[NH2+]1 ZINC001246648185 1059049967 /nfs/dbraw/zinc/04/99/67/1059049967.db2.gz PAQKFPNJWXDISQ-PMACEKPBSA-N 1 3 324.512 4.358 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH+]2CCC3(C=Cc4ccccc43)CC2)CCN1 ZINC001246648185 1059049987 /nfs/dbraw/zinc/04/99/87/1059049987.db2.gz PAQKFPNJWXDISQ-PMACEKPBSA-N 1 3 324.512 4.358 20 0 DIADHO c1ccc([C@@H]2CCC[C@H]([N@H+]3CCCCC34CCNCC4)C2)cc1 ZINC001246648470 1059051067 /nfs/dbraw/zinc/05/10/67/1059051067.db2.gz PVGVDGFFTPNEKC-UXHICEINSA-N 1 3 312.501 4.321 20 0 DIADHO c1ccc([C@@H]2CCC[C@H]([N@@H+]3CCCCC34CCNCC4)C2)cc1 ZINC001246648470 1059051089 /nfs/dbraw/zinc/05/10/89/1059051089.db2.gz PVGVDGFFTPNEKC-UXHICEINSA-N 1 3 312.501 4.321 20 0 DIADHO CC[C@H](CC(C)C)N1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246676868 1059061761 /nfs/dbraw/zinc/06/17/61/1059061761.db2.gz UODLPBRZPGGZKF-VAMGGRTRSA-N 1 3 300.490 4.033 20 0 DIADHO CCCC[C@@H]1C[C@H](N2CCC(c3ccccc3)CC2)CC[NH2+]1 ZINC001246694102 1059067810 /nfs/dbraw/zinc/06/78/10/1059067810.db2.gz VABLTWJSOBOGAM-WOJBJXKFSA-N 1 3 300.490 4.177 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH+]2CCC(c3ccccc3)CC2)CCN1 ZINC001246694102 1059067832 /nfs/dbraw/zinc/06/78/32/1059067832.db2.gz VABLTWJSOBOGAM-WOJBJXKFSA-N 1 3 300.490 4.177 20 0 DIADHO CCC(C)(C)C1CCC([N@@H+]2CC[C@]3(C2)CNCC[C@H]3F)CC1 ZINC001246687705 1059069331 /nfs/dbraw/zinc/06/93/31/1059069331.db2.gz DWNHXORARDGOAY-HTPOPCQBSA-N 1 3 310.501 4.005 20 0 DIADHO CCC(C)(C)C1CCC([N@H+]2CC[C@]3(C2)CNCC[C@H]3F)CC1 ZINC001246687705 1059069354 /nfs/dbraw/zinc/06/93/54/1059069354.db2.gz DWNHXORARDGOAY-HTPOPCQBSA-N 1 3 310.501 4.005 20 0 DIADHO c1ccc(C2CCN([C@@H]3CC[NH2+]C4(CCCCC4)C3)CC2)cc1 ZINC001246694742 1059069509 /nfs/dbraw/zinc/06/95/09/1059069509.db2.gz WSCPQBMQWCYDQV-HXUWFJFHSA-N 1 3 312.501 4.321 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246775317 1059074248 /nfs/dbraw/zinc/07/42/48/1059074248.db2.gz JFPQMWGUUPWFFU-NJYVYQBISA-N 1 3 314.517 4.252 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246775317 1059074271 /nfs/dbraw/zinc/07/42/71/1059074271.db2.gz JFPQMWGUUPWFFU-NJYVYQBISA-N 1 3 314.517 4.252 20 0 DIADHO CCCN(Cc1ccccc1)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246773824 1059074440 /nfs/dbraw/zinc/07/44/40/1059074440.db2.gz CUWUQKOPQFUDMK-IBGZPJMESA-N 1 3 300.490 4.354 20 0 DIADHO CCCC[C@@H]1C[C@H](N2CCC(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246781043 1059078361 /nfs/dbraw/zinc/07/83/61/1059078361.db2.gz BBKCWOCNIJXRTD-WOJBJXKFSA-N 1 3 318.480 4.316 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246775617 1059078420 /nfs/dbraw/zinc/07/84/20/1059078420.db2.gz IZQNTDAOIAMFLQ-QYZOEREBSA-N 1 3 300.490 4.033 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246775617 1059078438 /nfs/dbraw/zinc/07/84/38/1059078438.db2.gz IZQNTDAOIAMFLQ-QYZOEREBSA-N 1 3 300.490 4.033 20 0 DIADHO CC[C@@H]1C[C@@H](N2CCC[C@H]2c2ccc(OC)cc2)C[C@H](CC)[NH2+]1 ZINC001246783154 1059079252 /nfs/dbraw/zinc/07/92/52/1059079252.db2.gz WSUSULINNXTGAM-DMUMMCEESA-N 1 3 316.489 4.141 20 0 DIADHO CC[C@@H]1CC(N2CCC[C@H]2c2ccc(OC)cc2)C[C@@H](CC)[NH2+]1 ZINC001246783156 1059080085 /nfs/dbraw/zinc/08/00/85/1059080085.db2.gz WSUSULINNXTGAM-HLIPFELVSA-N 1 3 316.489 4.141 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H](CN)C1 ZINC001246779441 1059081090 /nfs/dbraw/zinc/08/10/90/1059081090.db2.gz GYAWZHONPAFBCA-MOPGFXCFSA-N 1 3 322.496 4.268 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H](CN)C1 ZINC001246779441 1059081111 /nfs/dbraw/zinc/08/11/11/1059081111.db2.gz GYAWZHONPAFBCA-MOPGFXCFSA-N 1 3 322.496 4.268 20 0 DIADHO NC[C@@H]1CCC[N@@H+](C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001246783453 1059082745 /nfs/dbraw/zinc/08/27/45/1059082745.db2.gz XPPQZNNBCFOVCN-NXVRBGIVSA-N 1 3 306.881 4.037 20 0 DIADHO NC[C@@H]1CCC[N@H+](C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001246783453 1059082758 /nfs/dbraw/zinc/08/27/58/1059082758.db2.gz XPPQZNNBCFOVCN-NXVRBGIVSA-N 1 3 306.881 4.037 20 0 DIADHO CC[C@@H]1C[C@H](N2CCC(c3cccs3)CC2)C[C@H](CC)[NH2+]1 ZINC001246786837 1059086157 /nfs/dbraw/zinc/08/61/57/1059086157.db2.gz AIONEGXDKMNUBD-FVQHAEBGSA-N 1 3 306.519 4.237 20 0 DIADHO c1csc(C2CCN([C@H]3CC[NH2+]C4(CCCCC4)C3)CC2)c1 ZINC001246790277 1059090923 /nfs/dbraw/zinc/09/09/23/1059090923.db2.gz MWGXOKNTWKKGEW-KRWDZBQOSA-N 1 3 318.530 4.382 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H](N2CCC(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246788930 1059093439 /nfs/dbraw/zinc/09/34/39/1059093439.db2.gz RYYHOWZVVAOUIZ-OALUTQOASA-N 1 3 318.480 4.172 20 0 DIADHO C[C@H]1C[C@H]([NH+]2CCC(CCc3ccc(Cl)cc3)CC2)CCN1 ZINC001246788721 1059093619 /nfs/dbraw/zinc/09/36/19/1059093619.db2.gz IAFXNYNIXUESEZ-HNAYVOBHSA-N 1 3 320.908 4.125 20 0 DIADHO CC[C@@H]1C[C@@H](N(C)CCc2ccc(Cl)cc2)C[C@H](CC)[NH2+]1 ZINC001246813005 1059105989 /nfs/dbraw/zinc/10/59/89/1059105989.db2.gz HHXBBJHDGRHOPN-BCDXTJNWSA-N 1 3 308.897 4.124 20 0 DIADHO CCN(Cc1ccc(F)cc1)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246838436 1059120215 /nfs/dbraw/zinc/12/02/15/1059120215.db2.gz BVVNIHKRNGXUQX-WOJBJXKFSA-N 1 3 312.432 4.141 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H](N2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246852137 1059131491 /nfs/dbraw/zinc/13/14/91/1059131491.db2.gz MVXCMQBINYJGBB-NXHRZFHOSA-N 1 3 320.908 4.296 20 0 DIADHO CCCC[C@@H]1C[C@@H](N2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246852152 1059133049 /nfs/dbraw/zinc/13/30/49/1059133049.db2.gz NFEJXGNWYQNTGI-QRQLOZEOSA-N 1 3 320.908 4.440 20 0 DIADHO CC[C@@H]1c2ccccc2CCN1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246863751 1059137674 /nfs/dbraw/zinc/13/76/74/1059137674.db2.gz GIUMMILGSHYJNG-AZUAARDMSA-N 1 3 312.501 4.451 20 0 DIADHO CCCC[C@H]1C[C@@H](N2CCC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246865382 1059137847 /nfs/dbraw/zinc/13/78/47/1059137847.db2.gz UHUQBVLVVHTLPQ-UFYCRDLUSA-N 1 3 300.490 4.177 20 0 DIADHO CCCC[C@H]1C[C@@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246865382 1059137864 /nfs/dbraw/zinc/13/78/64/1059137864.db2.gz UHUQBVLVVHTLPQ-UFYCRDLUSA-N 1 3 300.490 4.177 20 0 DIADHO CCCC[C@H]1C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246865382 1059137873 /nfs/dbraw/zinc/13/78/73/1059137873.db2.gz UHUQBVLVVHTLPQ-UFYCRDLUSA-N 1 3 300.490 4.177 20 0 DIADHO C1C[C@H](C2CCCCC2)[N@@H+]([C@H]2CCNC3(CCCCC3)C2)C1 ZINC001246867484 1059142819 /nfs/dbraw/zinc/14/28/19/1059142819.db2.gz XYQGUUWGYUOTOR-RBUKOAKNSA-N 1 3 304.522 4.486 20 0 DIADHO C1C[C@H](C2CCCCC2)[N@H+]([C@H]2CCNC3(CCCCC3)C2)C1 ZINC001246867484 1059142826 /nfs/dbraw/zinc/14/28/26/1059142826.db2.gz XYQGUUWGYUOTOR-RBUKOAKNSA-N 1 3 304.522 4.486 20 0 DIADHO CCN(Cc1c(F)cccc1Cl)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246879880 1059145935 /nfs/dbraw/zinc/14/59/35/1059145935.db2.gz PXOFYWJCBKOVKG-RDTXWAMCSA-N 1 3 324.871 4.223 20 0 DIADHO CSc1ccccc1[C@H]1CCC[N@@H+]1[C@H]1CCNC(C)(C)C1 ZINC001246886157 1059149178 /nfs/dbraw/zinc/14/91/78/1059149178.db2.gz HGOZIYNNDLNBMC-GOEBONIOSA-N 1 3 304.503 4.076 20 0 DIADHO CSc1ccccc1[C@H]1CCC[N@H+]1[C@H]1CCNC(C)(C)C1 ZINC001246886157 1059149196 /nfs/dbraw/zinc/14/91/96/1059149196.db2.gz HGOZIYNNDLNBMC-GOEBONIOSA-N 1 3 304.503 4.076 20 0 DIADHO CSc1ccccc1[C@H]1CCCN1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246886157 1059149209 /nfs/dbraw/zinc/14/92/09/1059149209.db2.gz HGOZIYNNDLNBMC-GOEBONIOSA-N 1 3 304.503 4.076 20 0 DIADHO Fc1ccc([C@H]2CCCN2[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001246896364 1059160699 /nfs/dbraw/zinc/16/06/99/1059160699.db2.gz XOIGMZCMAXRNQW-PCCBWWKXSA-N 1 3 324.443 4.456 20 0 DIADHO Clc1ccc(C2CCC([NH+]3CCCNCCC3)CC2)cc1 ZINC001246906476 1059167834 /nfs/dbraw/zinc/16/78/34/1059167834.db2.gz QXGZKJDUULWJHJ-UHFFFAOYSA-N 1 3 306.881 4.052 20 0 DIADHO C[C@@H](Cc1ccccc1F)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246932148 1059181522 /nfs/dbraw/zinc/18/15/22/1059181522.db2.gz FIKCSNOFFDOURJ-IRXDYDNUSA-N 1 3 318.480 4.001 20 0 DIADHO C[C@@H](Cc1ccccc1F)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246932148 1059181529 /nfs/dbraw/zinc/18/15/29/1059181529.db2.gz FIKCSNOFFDOURJ-IRXDYDNUSA-N 1 3 318.480 4.001 20 0 DIADHO C[C@H](Cc1cccc(F)c1)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246937858 1059186035 /nfs/dbraw/zinc/18/60/35/1059186035.db2.gz NDZUPLFFUPKWLG-AEFFLSMTSA-N 1 3 318.480 4.001 20 0 DIADHO C[C@H](Cc1cccc(F)c1)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246937858 1059186052 /nfs/dbraw/zinc/18/60/52/1059186052.db2.gz NDZUPLFFUPKWLG-AEFFLSMTSA-N 1 3 318.480 4.001 20 0 DIADHO [NH3+][C@@H]1CCN([C@H]2CCCC3(CCCCC3)C2)C[C@H]1C(F)(F)F ZINC001246940800 1059186451 /nfs/dbraw/zinc/18/64/51/1059186451.db2.gz VKDQMZGYNJUSRS-RRFJBIMHSA-N 1 3 318.427 4.091 20 0 DIADHO CC(C)(C)[C@H]1C[C@H]([NH+]2CCC(C)(c3ccccc3)CC2)CCN1 ZINC001246945880 1059190065 /nfs/dbraw/zinc/19/00/65/1059190065.db2.gz MICNSRDGEUYKJD-RTBURBONSA-N 1 3 314.517 4.207 20 0 DIADHO CCCC[C@@H](CC)[N@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001246943972 1059191257 /nfs/dbraw/zinc/19/12/57/1059191257.db2.gz SPOSRYSASDBNFJ-GOSISDBHSA-N 1 3 306.469 4.349 20 0 DIADHO CCCC[C@@H](CC)[N@@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001246943972 1059191264 /nfs/dbraw/zinc/19/12/64/1059191264.db2.gz SPOSRYSASDBNFJ-GOSISDBHSA-N 1 3 306.469 4.349 20 0 DIADHO Cc1ccc(F)cc1C[N@H+](C1CCNCC1)[C@@H]1CCC[C@@H](C)C1 ZINC001246966269 1059211743 /nfs/dbraw/zinc/21/17/43/1059211743.db2.gz VXLDBVKHZWMACJ-FOIQADDNSA-N 1 3 318.480 4.267 20 0 DIADHO Cc1ccc(F)cc1C[N@@H+](C1CCNCC1)[C@@H]1CCC[C@@H](C)C1 ZINC001246966269 1059211761 /nfs/dbraw/zinc/21/17/61/1059211761.db2.gz VXLDBVKHZWMACJ-FOIQADDNSA-N 1 3 318.480 4.267 20 0 DIADHO Cc1ccc(F)cc1C[N@H+]([C@@H]1CCC(C)(C)C1)C1CCNCC1 ZINC001246965794 1059213416 /nfs/dbraw/zinc/21/34/16/1059213416.db2.gz SFGUQLSDBYNLJO-LJQANCHMSA-N 1 3 318.480 4.267 20 0 DIADHO Cc1ccc(F)cc1C[N@@H+]([C@@H]1CCC(C)(C)C1)C1CCNCC1 ZINC001246965794 1059213442 /nfs/dbraw/zinc/21/34/42/1059213442.db2.gz SFGUQLSDBYNLJO-LJQANCHMSA-N 1 3 318.480 4.267 20 0 DIADHO Cc1ccc(F)cc1C[N@H+](C1CCNCC1)[C@H]1CCC[C@@H](C)C1 ZINC001246966275 1059214075 /nfs/dbraw/zinc/21/40/75/1059214075.db2.gz VXLDBVKHZWMACJ-QRWLVFNGSA-N 1 3 318.480 4.267 20 0 DIADHO Cc1ccc(F)cc1C[N@@H+](C1CCNCC1)[C@H]1CCC[C@@H](C)C1 ZINC001246966275 1059214094 /nfs/dbraw/zinc/21/40/94/1059214094.db2.gz VXLDBVKHZWMACJ-QRWLVFNGSA-N 1 3 318.480 4.267 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001246971306 1059219755 /nfs/dbraw/zinc/21/97/55/1059219755.db2.gz FMMZRSOTWSGMIV-UXHICEINSA-N 1 3 314.517 4.252 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001246971306 1059219770 /nfs/dbraw/zinc/21/97/70/1059219770.db2.gz FMMZRSOTWSGMIV-UXHICEINSA-N 1 3 314.517 4.252 20 0 DIADHO CCC[C@H](Cc1ccccc1)[N@H+](CCC)C1C[C@@H]2C=C[C@H](C1)N2 ZINC001246980060 1059222303 /nfs/dbraw/zinc/22/23/03/1059222303.db2.gz QNYZTYCTRNFJDI-JQKXYWIWSA-N 1 3 312.501 4.169 20 0 DIADHO CCC[C@H](Cc1ccccc1)[N@@H+](CCC)C1C[C@@H]2C=C[C@H](C1)N2 ZINC001246980060 1059222318 /nfs/dbraw/zinc/22/23/18/1059222318.db2.gz QNYZTYCTRNFJDI-JQKXYWIWSA-N 1 3 312.501 4.169 20 0 DIADHO CC(C)[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](CCc3ccccc3)C2)CCN1 ZINC001246980675 1059222880 /nfs/dbraw/zinc/22/28/80/1059222880.db2.gz RJICDHTUKNXQGQ-HKBOAZHASA-N 1 3 314.517 4.108 20 0 DIADHO CC(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@H](CCc3ccccc3)C2)CCN1 ZINC001246980675 1059222896 /nfs/dbraw/zinc/22/28/96/1059222896.db2.gz RJICDHTUKNXQGQ-HKBOAZHASA-N 1 3 314.517 4.108 20 0 DIADHO C1=C(CCN2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCC1 ZINC001559524668 1059323294 /nfs/dbraw/zinc/32/32/94/1059323294.db2.gz MBSHSUUUOGNZBT-FQEVSTJZSA-N 1 3 304.522 4.465 20 0 DIADHO CN(Cc1cc(Cl)cc2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC001559557972 1059374195 /nfs/dbraw/zinc/37/41/95/1059374195.db2.gz LGLUHQGDEKJQHI-OAHLLOKOSA-N 1 3 316.876 4.267 20 0 DIADHO CN(Cc1cc(Cl)cc2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC001559557972 1059374217 /nfs/dbraw/zinc/37/42/17/1059374217.db2.gz LGLUHQGDEKJQHI-OAHLLOKOSA-N 1 3 316.876 4.267 20 0 DIADHO Cc1c2ccccc2sc1[C@@H](C)[NH2+]CC[C@H]1CCCN1C ZINC001559729564 1059561815 /nfs/dbraw/zinc/56/18/15/1059561815.db2.gz BKEPHXKFMZZPJC-HUUCEWRRSA-N 1 3 302.487 4.345 20 0 DIADHO C[C@H]1C[C@H](CC[N@@H+]2CCN(c3ccncc3)[C@H](C)C2)C[C@@H](C)C1 ZINC001560109182 1059915287 /nfs/dbraw/zinc/91/52/87/1059915287.db2.gz VQZBYKQQUQNVBT-HCXYKTFWSA-N 1 3 315.505 4.055 20 0 DIADHO C[C@H]1C[C@H](CC[N@H+]2CCN(c3ccncc3)[C@H](C)C2)C[C@@H](C)C1 ZINC001560109182 1059915305 /nfs/dbraw/zinc/91/53/05/1059915305.db2.gz VQZBYKQQUQNVBT-HCXYKTFWSA-N 1 3 315.505 4.055 20 0 DIADHO c1ccc(-c2ccc(CNC[C@@H]3CC[N@@H+]3C3CCCC3)cc2)cc1 ZINC001560553624 1060365264 /nfs/dbraw/zinc/36/52/64/1060365264.db2.gz NUZYLHCGOUTQCN-QFIPXVFZSA-N 1 3 320.480 4.460 20 0 DIADHO c1ccc(-c2ccc(CNC[C@@H]3CC[N@H+]3C3CCCC3)cc2)cc1 ZINC001560553624 1060365281 /nfs/dbraw/zinc/36/52/81/1060365281.db2.gz NUZYLHCGOUTQCN-QFIPXVFZSA-N 1 3 320.480 4.460 20 0 DIADHO CC(C)(CC[NH+]1CCCCCC1)NCCc1ccc(F)c(F)c1 ZINC001560772519 1060636615 /nfs/dbraw/zinc/63/66/15/1060636615.db2.gz ZOPIYLQUVSOZJD-UHFFFAOYSA-N 1 3 324.459 4.142 20 0 DIADHO CC1=CC[C@@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC001560871863 1060733928 /nfs/dbraw/zinc/73/39/28/1060733928.db2.gz UNXJRDZMMCGHNW-NHCUHLMSSA-N 1 3 312.501 4.377 20 0 DIADHO C[C@H](CN1CCCC[C@@H]1[C@@H](C)C[NH+](C)C)c1cccc(Cl)c1 ZINC001560948291 1060813098 /nfs/dbraw/zinc/81/30/98/1060813098.db2.gz SSHSTDNUBPMAMZ-JTDSTZFVSA-N 1 3 322.924 4.496 20 0 DIADHO C[C@H](C[N@H+]1CCCC[C@@H]1[C@@H](C)CN(C)C)c1cccc(Cl)c1 ZINC001560948291 1060813117 /nfs/dbraw/zinc/81/31/17/1060813117.db2.gz SSHSTDNUBPMAMZ-JTDSTZFVSA-N 1 3 322.924 4.496 20 0 DIADHO C[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H](C)CN(C)C)c1cccc(Cl)c1 ZINC001560948291 1060813134 /nfs/dbraw/zinc/81/31/34/1060813134.db2.gz SSHSTDNUBPMAMZ-JTDSTZFVSA-N 1 3 322.924 4.496 20 0 DIADHO Cc1ccccc1-c1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC001560972099 1060835548 /nfs/dbraw/zinc/83/55/48/1060835548.db2.gz CUGPDBFQINBTMI-DENIHFKCSA-N 1 3 320.480 4.188 20 0 DIADHO Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC001560972099 1060835551 /nfs/dbraw/zinc/83/55/51/1060835551.db2.gz CUGPDBFQINBTMI-DENIHFKCSA-N 1 3 320.480 4.188 20 0 DIADHO Cc1ccccc1-c1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC001560972101 1060835671 /nfs/dbraw/zinc/83/56/71/1060835671.db2.gz CUGPDBFQINBTMI-SIKLNZKXSA-N 1 3 320.480 4.188 20 0 DIADHO Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC001560972101 1060835676 /nfs/dbraw/zinc/83/56/76/1060835676.db2.gz CUGPDBFQINBTMI-SIKLNZKXSA-N 1 3 320.480 4.188 20 0 DIADHO CCc1ccc2ccccc2c1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001561001685 1060861154 /nfs/dbraw/zinc/86/11/54/1060861154.db2.gz BUVLNWJYRRKODD-YQQQUEKLSA-N 1 3 308.469 4.117 20 0 DIADHO CCc1ccc2ccccc2c1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001561001685 1060861164 /nfs/dbraw/zinc/86/11/64/1060861164.db2.gz BUVLNWJYRRKODD-YQQQUEKLSA-N 1 3 308.469 4.117 20 0 DIADHO CC[C@H](C[NH+]1CCC(CC)(N2CCC2)CC1)c1ccccc1 ZINC001561011539 1060871088 /nfs/dbraw/zinc/87/10/88/1060871088.db2.gz NIYCVCGIEOJQJS-GOSISDBHSA-N 1 3 300.490 4.131 20 0 DIADHO CC[C@H](CN1CCC(CC)([NH+]2CCC2)CC1)c1ccccc1 ZINC001561011539 1060871094 /nfs/dbraw/zinc/87/10/94/1060871094.db2.gz NIYCVCGIEOJQJS-GOSISDBHSA-N 1 3 300.490 4.131 20 0 DIADHO CCN(CC)CC[C@@H](C)[NH2+]C1CC(Sc2ccccc2)C1 ZINC001561055516 1060905664 /nfs/dbraw/zinc/90/56/64/1060905664.db2.gz OCLHJAIKLJOYSL-KLHKWILBSA-N 1 3 306.519 4.020 20 0 DIADHO CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC001473219442 1060999287 /nfs/dbraw/zinc/99/92/87/1060999287.db2.gz HHFFIBDZTBYHTG-FFZOFVMBSA-N 1 3 300.490 4.287 20 0 DIADHO CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC001473219442 1060999305 /nfs/dbraw/zinc/99/93/05/1060999305.db2.gz HHFFIBDZTBYHTG-FFZOFVMBSA-N 1 3 300.490 4.287 20 0 DIADHO CC(C)(C[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1)CN1CCCC1 ZINC001462195817 1061017983 /nfs/dbraw/zinc/01/79/83/1061017983.db2.gz GDIDQIQPURJTFZ-FPOVZHCZSA-N 1 3 314.517 4.208 20 0 DIADHO CC[NH+](CC)CCCC1CCN(Cc2ccccc2F)CC1 ZINC001473374321 1061118844 /nfs/dbraw/zinc/11/88/44/1061118844.db2.gz BEFMJYXYQHYQQQ-UHFFFAOYSA-N 1 3 306.469 4.160 20 0 DIADHO CC[N@H+](CCCNC[C@@H]1CCc2ccccc21)C1CCCCC1 ZINC001462408219 1061154547 /nfs/dbraw/zinc/15/45/47/1061154547.db2.gz NRAPVXPOTPQKEM-IBGZPJMESA-N 1 3 314.517 4.351 20 0 DIADHO CC[N@@H+](CCCNC[C@@H]1CCc2ccccc21)C1CCCCC1 ZINC001462408219 1061154553 /nfs/dbraw/zinc/15/45/53/1061154553.db2.gz NRAPVXPOTPQKEM-IBGZPJMESA-N 1 3 314.517 4.351 20 0 DIADHO CN1CCCC[C@H](C[NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC001462443645 1061177632 /nfs/dbraw/zinc/17/76/32/1061177632.db2.gz YOVIMIWGGQVCLL-OBXNSHGQSA-N 1 3 314.517 4.282 20 0 DIADHO CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]CC[C@H](C)N(C)C ZINC001462466348 1061191496 /nfs/dbraw/zinc/19/14/96/1061191496.db2.gz JAVKOWCDSATXEB-MAUKXSAKSA-N 1 3 310.913 4.227 20 0 DIADHO C[C@H](c1cccc(Cl)c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC001473586264 1061276688 /nfs/dbraw/zinc/27/66/88/1061276688.db2.gz FOCMEWMKGREUCB-OAHLLOKOSA-N 1 3 315.848 4.008 20 0 DIADHO CCC1(C)CCC(N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC001462587266 1061283336 /nfs/dbraw/zinc/28/33/36/1061283336.db2.gz GSLCAVWEJCUQFC-XBMUEBEBSA-N 1 3 303.494 4.023 20 0 DIADHO CC[C@@H](CC1CCCCC1)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC001462592907 1061284079 /nfs/dbraw/zinc/28/40/79/1061284079.db2.gz PACZARQXKJENLN-VQTJNVASSA-N 1 3 317.521 4.413 20 0 DIADHO C[C@@H](c1cccc(Cl)c1)[N@@H+]1C[C@@]23CN(C)C[C@]2(C1)CCCC3 ZINC001473900858 1061452391 /nfs/dbraw/zinc/45/23/91/1061452391.db2.gz HAOHKHHXCUPCDK-ZYSHUDEJSA-N 1 3 318.892 4.209 20 0 DIADHO C[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@@]23CN(C)C[C@]2(C1)CCCC3 ZINC001473900858 1061452399 /nfs/dbraw/zinc/45/23/99/1061452399.db2.gz HAOHKHHXCUPCDK-ZYSHUDEJSA-N 1 3 318.892 4.209 20 0 DIADHO Cc1ccc(CNCCCC[NH+]2CCC(C)CC2)c(Cl)c1 ZINC001473936100 1061482491 /nfs/dbraw/zinc/48/24/91/1061482491.db2.gz VOQAYNFGFIMXJK-UHFFFAOYSA-N 1 3 308.897 4.250 20 0 DIADHO C[C@H](CC[NH+](C)C)NCc1cccc(-c2ccc(Cl)cc2)c1 ZINC001473968522 1061513828 /nfs/dbraw/zinc/51/38/28/1061513828.db2.gz ZMQCIUYDKCBZTD-OAHLLOKOSA-N 1 3 316.876 4.437 20 0 DIADHO CC1(C)CCC[C@@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC001473980196 1061524309 /nfs/dbraw/zinc/52/43/09/1061524309.db2.gz RHPMBJQUQNFBLU-VQTJNVASSA-N 1 3 314.517 4.109 20 0 DIADHO C[C@@H]1CN(CCCC[NH2+]C2CC(C)(C)CC(C)(C)C2)C[C@@H](C)O1 ZINC001474015929 1061557121 /nfs/dbraw/zinc/55/71/21/1061557121.db2.gz HNZPNMFSDXWHDX-IAGOWNOFSA-N 1 3 324.553 4.070 20 0 DIADHO CC(C)c1ccc(O[C@H](C)CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001474142891 1061687817 /nfs/dbraw/zinc/68/78/17/1061687817.db2.gz IDMATZAUDGHYQW-SJLPKXTDSA-N 1 3 318.505 4.040 20 0 DIADHO CC(C)c1ccc(O[C@H](C)CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001474142891 1061687823 /nfs/dbraw/zinc/68/78/23/1061687823.db2.gz IDMATZAUDGHYQW-SJLPKXTDSA-N 1 3 318.505 4.040 20 0 DIADHO CN1CCCC[C@H](C[NH2+]Cc2cc(-c3ccccc3)cs2)C1 ZINC001474210287 1061765111 /nfs/dbraw/zinc/76/51/11/1061765111.db2.gz OYDKSJMRHLPTGH-MRXNPFEDSA-N 1 3 314.498 4.237 20 0 DIADHO C[N@@H+]1CCCC[C@H](CNCc2ccccc2-c2ccccc2)C1 ZINC001474210617 1061766570 /nfs/dbraw/zinc/76/65/70/1061766570.db2.gz XMBXGCBTTOSYFL-GOSISDBHSA-N 1 3 308.469 4.175 20 0 DIADHO C[N@H+]1CCCC[C@H](CNCc2ccccc2-c2ccccc2)C1 ZINC001474210617 1061766586 /nfs/dbraw/zinc/76/65/86/1061766586.db2.gz XMBXGCBTTOSYFL-GOSISDBHSA-N 1 3 308.469 4.175 20 0 DIADHO CN1CCCC[C@H](C[NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC001474210617 1061766604 /nfs/dbraw/zinc/76/66/04/1061766604.db2.gz XMBXGCBTTOSYFL-GOSISDBHSA-N 1 3 308.469 4.175 20 0 DIADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC001253094562 1061798794 /nfs/dbraw/zinc/79/87/94/1061798794.db2.gz FFYSAOGFGTVYCW-QZTJIDSGSA-N 1 3 323.484 4.131 20 0 DIADHO CC[N@@H+]1CCC[C@H](CN[C@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC001253094562 1061798812 /nfs/dbraw/zinc/79/88/12/1061798812.db2.gz FFYSAOGFGTVYCW-QZTJIDSGSA-N 1 3 323.484 4.131 20 0 DIADHO CC[N@H+]1CCC[C@H](CN[C@H](C)c2ccc(-c3ccncc3)cc2)C1 ZINC001253094562 1061798828 /nfs/dbraw/zinc/79/88/28/1061798828.db2.gz FFYSAOGFGTVYCW-QZTJIDSGSA-N 1 3 323.484 4.131 20 0 DIADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC001474435988 1062112449 /nfs/dbraw/zinc/11/24/49/1062112449.db2.gz RYDLXPLHYIOHRV-MANSERQUSA-N 1 3 306.538 4.444 20 0 DIADHO CCC[C@H](CCc1ccccc1)[NH+]1C[C@@H]2CN(CCC)C[C@H]2C1 ZINC001254497424 1062138284 /nfs/dbraw/zinc/13/82/84/1062138284.db2.gz CGOBCRBXSAZEAC-PCCBWWKXSA-N 1 3 314.517 4.062 20 0 DIADHO C[N@@H+]1CCC[C@@H](NC(C)(C)c2ccccc2C(F)(F)F)CC1 ZINC001254510533 1062150275 /nfs/dbraw/zinc/15/02/75/1062150275.db2.gz XOEANYCZQLEWPT-CYBMUJFWSA-N 1 3 314.395 4.014 20 0 DIADHO C[N@H+]1CCC[C@@H](NC(C)(C)c2ccccc2C(F)(F)F)CC1 ZINC001254510533 1062150280 /nfs/dbraw/zinc/15/02/80/1062150280.db2.gz XOEANYCZQLEWPT-CYBMUJFWSA-N 1 3 314.395 4.014 20 0 DIADHO CC(C)CCN1CCC([NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC001474494514 1062173401 /nfs/dbraw/zinc/17/34/01/1062173401.db2.gz YVINLIHXWAJAFW-HXUWFJFHSA-N 1 3 318.480 4.303 20 0 DIADHO C[C@H](CC[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1)N(C)C ZINC001474649065 1062375405 /nfs/dbraw/zinc/37/54/05/1062375405.db2.gz YIYNDUFGOKOUKL-KNQAVFIVSA-N 1 3 324.512 4.160 20 0 DIADHO C[C@@H](CC[NH2+][C@H](CCc1ccccc1)Cc1ccccc1)N(C)C ZINC001474649066 1062377495 /nfs/dbraw/zinc/37/74/95/1062377495.db2.gz YIYNDUFGOKOUKL-SIKLNZKXSA-N 1 3 324.512 4.160 20 0 DIADHO C[C@H](N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccc(O)cc1 ZINC001255384986 1062424758 /nfs/dbraw/zinc/42/47/58/1062424758.db2.gz DEUMUKGJLXHRTL-FXAWDEMLSA-N 1 3 324.468 4.098 20 0 DIADHO C[C@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccc(O)cc1 ZINC001255384986 1062424798 /nfs/dbraw/zinc/42/47/98/1062424798.db2.gz DEUMUKGJLXHRTL-FXAWDEMLSA-N 1 3 324.468 4.098 20 0 DIADHO CCC1(N2CCC2)CC[NH+](C[C@H](C)c2ccc(C)cc2)CC1 ZINC001474711812 1062436234 /nfs/dbraw/zinc/43/62/34/1062436234.db2.gz BDUCEOJEEFNHJM-SFHVURJKSA-N 1 3 300.490 4.049 20 0 DIADHO c1ccc(C[N@@H+]2CCC[C@@H](N3CC4(C3)CCCCC4)CC2)cc1 ZINC001255408309 1062440666 /nfs/dbraw/zinc/44/06/66/1062440666.db2.gz KCWPJRVCOYZBLV-HXUWFJFHSA-N 1 3 312.501 4.307 20 0 DIADHO c1ccc(C[N@H+]2CCC[C@@H](N3CC4(C3)CCCCC4)CC2)cc1 ZINC001255408309 1062440686 /nfs/dbraw/zinc/44/06/86/1062440686.db2.gz KCWPJRVCOYZBLV-HXUWFJFHSA-N 1 3 312.501 4.307 20 0 DIADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC001255507375 1062466345 /nfs/dbraw/zinc/46/63/45/1062466345.db2.gz XGKCTNWAGAKZGU-WXLSXGNJSA-N 1 3 320.443 4.065 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1(C)C ZINC001255694400 1062521476 /nfs/dbraw/zinc/52/14/76/1062521476.db2.gz OHNXJUYCOYYXSL-STQMWFEESA-N 1 3 320.443 4.349 20 0 DIADHO Cc1ccc(SC[C@@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC001255756252 1062579255 /nfs/dbraw/zinc/57/92/55/1062579255.db2.gz PTOYWDAWKKACFL-QGZVFWFLSA-N 1 3 320.546 4.186 20 0 DIADHO Cc1ccc(SC[C@@H](C)NC2CC[NH+](CC(C)C)CC2)cc1 ZINC001255756252 1062579277 /nfs/dbraw/zinc/57/92/77/1062579277.db2.gz PTOYWDAWKKACFL-QGZVFWFLSA-N 1 3 320.546 4.186 20 0 DIADHO C[C@@H](Cc1ccccc1F)[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001255851467 1062633269 /nfs/dbraw/zinc/63/32/69/1062633269.db2.gz OYLMPLXLZZREKL-PKOBYXMFSA-N 1 3 318.480 4.097 20 0 DIADHO C[C@@H](Cc1ccccc1F)[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001255851467 1062633276 /nfs/dbraw/zinc/63/32/76/1062633276.db2.gz OYLMPLXLZZREKL-PKOBYXMFSA-N 1 3 318.480 4.097 20 0 DIADHO CCN(CC)CC[C@H](C)[NH2+]CC1(Cc2ccccc2C)CC1 ZINC001255952293 1062669357 /nfs/dbraw/zinc/66/93/57/1062669357.db2.gz FCAWGENCORFNPT-SFHVURJKSA-N 1 3 302.506 4.028 20 0 DIADHO CCCCc1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC001256558558 1062884230 /nfs/dbraw/zinc/88/42/30/1062884230.db2.gz PTLYEAGKEUUIBJ-UHFFFAOYSA-N 1 3 302.506 4.382 20 0 DIADHO CC(C)(C)N1CCC([NH2+]Cc2cccc3sccc32)CC1 ZINC001256563527 1062888534 /nfs/dbraw/zinc/88/85/34/1062888534.db2.gz AINQSIBDOIHKTK-UHFFFAOYSA-N 1 3 302.487 4.254 20 0 DIADHO Cc1ccccc1CC(C)(C)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001256567784 1062890200 /nfs/dbraw/zinc/89/02/00/1062890200.db2.gz ZXEGALBGYQAABI-UHFFFAOYSA-N 1 3 316.533 4.416 20 0 DIADHO CC(C)(C)N1CCC([NH2+]CC(C)(C)Cc2cccc(F)c2)CC1 ZINC001256567279 1062891602 /nfs/dbraw/zinc/89/16/02/1062891602.db2.gz SRMQLWZREYUAKM-UHFFFAOYSA-N 1 3 320.496 4.247 20 0 DIADHO CC(C)(C)[NH+]1CCC(N2CCC[C@H](c3ccccc3)C2)CC1 ZINC001256572397 1062895525 /nfs/dbraw/zinc/89/55/25/1062895525.db2.gz QVQAUTYVXKCTMG-SFHVURJKSA-N 1 3 300.490 4.129 20 0 DIADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2CCC(C)(C)C2CC2)CC1 ZINC001460628432 1062947599 /nfs/dbraw/zinc/94/75/99/1062947599.db2.gz VPXBPTCKGYJMTM-IBGZPJMESA-N 1 3 306.538 4.399 20 0 DIADHO CC1CCN(CC[C@@H]2CCC[N@H+]2CCC(C)(C)C2CC2)CC1 ZINC001460628432 1062947626 /nfs/dbraw/zinc/94/76/26/1062947626.db2.gz VPXBPTCKGYJMTM-IBGZPJMESA-N 1 3 306.538 4.399 20 0 DIADHO CC(C)N1CCC([NH2+]Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC001257204335 1063136963 /nfs/dbraw/zinc/13/69/63/1063136963.db2.gz DXAMTCKLBUYPJO-UHFFFAOYSA-N 1 3 324.468 4.441 20 0 DIADHO CCC[C@@H](CC)[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001257250010 1063157173 /nfs/dbraw/zinc/15/71/73/1063157173.db2.gz HKNCIUBBZNVEKE-GOSISDBHSA-N 1 3 306.469 4.206 20 0 DIADHO CCC(CC)N1CCC([NH3+])(c2cccc(C(F)(F)F)c2)CC1 ZINC001257291652 1063182287 /nfs/dbraw/zinc/18/22/87/1063182287.db2.gz RZJTXYVAXYVPCD-UHFFFAOYSA-N 1 3 314.395 4.144 20 0 DIADHO CCC(CC)N1CCC([NH3+])(c2ccc(C(F)(F)F)cc2)CC1 ZINC001257291459 1063183827 /nfs/dbraw/zinc/18/38/27/1063183827.db2.gz CVNQKEZHWNAQMJ-UHFFFAOYSA-N 1 3 314.395 4.144 20 0 DIADHO CCC[C@@H](C)N1CCC([NH3+])(c2ccc(C(F)(F)F)cc2)CC1 ZINC001257310985 1063197021 /nfs/dbraw/zinc/19/70/21/1063197021.db2.gz HJXCXIFWBQJESZ-CYBMUJFWSA-N 1 3 314.395 4.144 20 0 DIADHO CC(C)CN1CCC([NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC001461030243 1063199919 /nfs/dbraw/zinc/19/99/19/1063199919.db2.gz GHCFUAGTIPYJEJ-UHFFFAOYSA-N 1 3 300.490 4.164 20 0 DIADHO CCCN1C[C@@H]2C[N@H+](C3CCC(C(C)(C)CC)CC3)C[C@@H]2C1 ZINC001257408058 1063259245 /nfs/dbraw/zinc/25/92/45/1063259245.db2.gz XHAMVUGZOYACRA-LPOKXYRGSA-N 1 3 306.538 4.255 20 0 DIADHO CCCN1C[C@@H]2C[N@@H+](C3CCC(C(C)(C)CC)CC3)C[C@@H]2C1 ZINC001257408058 1063259261 /nfs/dbraw/zinc/25/92/61/1063259261.db2.gz XHAMVUGZOYACRA-LPOKXYRGSA-N 1 3 306.538 4.255 20 0 DIADHO CCC[C@@H](C[NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccccc1 ZINC001461170790 1063309240 /nfs/dbraw/zinc/30/92/40/1063309240.db2.gz MVGMKCZSPNHLCU-ICSRJNTNSA-N 1 3 302.506 4.280 20 0 DIADHO Cc1ccc(C[NH2+]C2CCN(CC(C)C)CC2)c2ccccc12 ZINC001258003640 1063459234 /nfs/dbraw/zinc/45/92/34/1063459234.db2.gz PCLBLFDKWRQCRU-UHFFFAOYSA-N 1 3 310.485 4.358 20 0 DIADHO CC(C)C[NH+]1CCC(N2CCC3(C=Cc4ccccc43)CC2)CC1 ZINC001258013370 1063461949 /nfs/dbraw/zinc/46/19/49/1063461949.db2.gz PJSPABINGNQQHR-UHFFFAOYSA-N 1 3 324.512 4.167 20 0 DIADHO Cc1ccccc1CC1(C[NH2+]C2CCN(CC(C)C)CC2)CC1 ZINC001258008484 1063462633 /nfs/dbraw/zinc/46/26/33/1063462633.db2.gz WBYLWEJCARTING-UHFFFAOYSA-N 1 3 314.517 4.028 20 0 DIADHO CC(C)CN1CCC([NH2+][C@H](CC2CC2)c2cccc(F)c2)CC1 ZINC001258007716 1063463085 /nfs/dbraw/zinc/46/30/85/1063463085.db2.gz OYSZYXURWPRXMR-HXUWFJFHSA-N 1 3 318.480 4.377 20 0 DIADHO Cc1cc([C@H](C)[NH2+]C2CCN(CC(C)C)CC2)ccc1Cl ZINC001258007227 1063464152 /nfs/dbraw/zinc/46/41/52/1063464152.db2.gz SEDMMIHDHKFURB-HNNXBMFYSA-N 1 3 308.897 4.419 20 0 DIADHO CC(C)CN1CCC([N@@H+]2CCC[C@@H]2c2ccccc2F)CC1 ZINC001258014722 1063465308 /nfs/dbraw/zinc/46/53/08/1063465308.db2.gz RONFIMCMLIXIMC-LJQANCHMSA-N 1 3 304.453 4.083 20 0 DIADHO CC(C)CN1CCC([N@H+]2CCC[C@@H]2c2ccccc2F)CC1 ZINC001258014722 1063465326 /nfs/dbraw/zinc/46/53/26/1063465326.db2.gz RONFIMCMLIXIMC-LJQANCHMSA-N 1 3 304.453 4.083 20 0 DIADHO CC[N@H+]([C@H]1CCOC1)C1CCN([C@H](C)C[C@@H](C)CC(C)C)CC1 ZINC001258075256 1063502753 /nfs/dbraw/zinc/50/27/53/1063502753.db2.gz TXKWKJCLWDYXPS-NSHGMRRFSA-N 1 3 324.553 4.022 20 0 DIADHO CC[N@@H+]([C@H]1CCOC1)C1CCN([C@H](C)C[C@@H](C)CC(C)C)CC1 ZINC001258075256 1063502769 /nfs/dbraw/zinc/50/27/69/1063502769.db2.gz TXKWKJCLWDYXPS-NSHGMRRFSA-N 1 3 324.553 4.022 20 0 DIADHO CC(C)=CCC[C@@H](C)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001258085740 1063509073 /nfs/dbraw/zinc/50/90/73/1063509073.db2.gz OMFDJHRHERMPTD-GOSISDBHSA-N 1 3 315.505 4.018 20 0 DIADHO Cc1ccccc1CN(C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141723 1063531111 /nfs/dbraw/zinc/53/11/11/1063531111.db2.gz NOWQYDVINCGDQM-UHFFFAOYSA-N 1 3 322.496 4.134 20 0 DIADHO C[N@@H+]1CC[C@@H](NC2(c3ccc(Cl)cc3)CCC2)CC1(C)C ZINC001461507686 1063542732 /nfs/dbraw/zinc/54/27/32/1063542732.db2.gz SJSVWDWTWJBTMG-MRXNPFEDSA-N 1 3 306.881 4.182 20 0 DIADHO C[N@H+]1CC[C@@H](NC2(c3ccc(Cl)cc3)CCC2)CC1(C)C ZINC001461507686 1063542742 /nfs/dbraw/zinc/54/27/42/1063542742.db2.gz SJSVWDWTWJBTMG-MRXNPFEDSA-N 1 3 306.881 4.182 20 0 DIADHO Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@@H](C)CN(C)C)cc2)c1 ZINC001461537746 1063567332 /nfs/dbraw/zinc/56/73/32/1063567332.db2.gz CAKKNEHWNNHWAQ-GOSISDBHSA-N 1 3 310.485 4.258 20 0 DIADHO CC1(C)CCC[C@H]([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)C1 ZINC001258281824 1063584941 /nfs/dbraw/zinc/58/49/41/1063584941.db2.gz BXGRGDJTPMYPBA-HKUYNNGSSA-N 1 3 304.522 4.366 20 0 DIADHO CCCCC(CCCC)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001258382996 1063626788 /nfs/dbraw/zinc/62/67/88/1063626788.db2.gz IFTXWQXHJHNGLC-UHFFFAOYSA-N 1 3 324.553 4.216 20 0 DIADHO CCCC[C@H](Cc1ccccc1)N1CCC([NH3+])(CC2CC2)CC1 ZINC001258708369 1063766811 /nfs/dbraw/zinc/76/68/11/1063766811.db2.gz WRVKEQTYUSUIEI-HXUWFJFHSA-N 1 3 314.517 4.381 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[NH+]1CCC(N(C)C2CC2)CC1 ZINC001258714520 1063770722 /nfs/dbraw/zinc/77/07/22/1063770722.db2.gz QGYUGCJESSINAI-OAQYLSRUSA-N 1 3 314.517 4.347 20 0 DIADHO CCCC[C@H](Cc1ccccc1)N1CCC([N@H+](C)C2CC2)CC1 ZINC001258714520 1063770732 /nfs/dbraw/zinc/77/07/32/1063770732.db2.gz QGYUGCJESSINAI-OAQYLSRUSA-N 1 3 314.517 4.347 20 0 DIADHO CCCC[C@H](Cc1ccccc1)N1CCC([N@@H+](C)C2CC2)CC1 ZINC001258714520 1063770743 /nfs/dbraw/zinc/77/07/43/1063770743.db2.gz QGYUGCJESSINAI-OAQYLSRUSA-N 1 3 314.517 4.347 20 0 DIADHO CCC[NH+]1CCC(NC2(c3cccc4ccccc43)CC2)CC1 ZINC001258769798 1063812584 /nfs/dbraw/zinc/81/25/84/1063812584.db2.gz JCESWNHTPLIWRK-UHFFFAOYSA-N 1 3 308.469 4.293 20 0 DIADHO CC[C@H](C)C[C@H](CC)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001258784160 1063821262 /nfs/dbraw/zinc/82/12/62/1063821262.db2.gz NOGULIOHPYKNPS-PXNSSMCTSA-N 1 3 317.521 4.098 20 0 DIADHO CC[C@@H](C)C[C@@H](CC)[NH+]1CCC(N)(Cc2cccc(F)c2)CC1 ZINC001258785632 1063824081 /nfs/dbraw/zinc/82/40/81/1063824081.db2.gz IBTBCJMIGQVFER-VQIMIIECSA-N 1 3 320.496 4.376 20 0 DIADHO CC[C@H](C)C[C@H](CC)[NH+]1CCC(N)(Cc2ccccc2)CC1 ZINC001258785878 1063824122 /nfs/dbraw/zinc/82/41/22/1063824122.db2.gz JPQLJCQZMNCJEM-HKUYNNGSSA-N 1 3 302.506 4.237 20 0 DIADHO CC[C@@H](C)C[C@H](CC)[NH+]1CCC(N)(Cc2cccc(F)c2)CC1 ZINC001258785629 1063824942 /nfs/dbraw/zinc/82/49/42/1063824942.db2.gz IBTBCJMIGQVFER-APWZRJJASA-N 1 3 320.496 4.376 20 0 DIADHO C[C@H]1CCC[C@@H]([NH+]2CCC(N)(Cc3ccc(Cl)cc3)CC2)C1 ZINC001258811853 1063840045 /nfs/dbraw/zinc/84/00/45/1063840045.db2.gz GJVMCWCBTIXUMQ-MAUKXSAKSA-N 1 3 320.908 4.255 20 0 DIADHO C[C@@H]1CCC[C@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001258828063 1063852430 /nfs/dbraw/zinc/85/24/30/1063852430.db2.gz YIYCEUSNAIHZPY-QUCCMNQESA-N 1 3 312.501 4.163 20 0 DIADHO CC[C@H](Cc1ccccc1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001258841678 1063861770 /nfs/dbraw/zinc/86/17/70/1063861770.db2.gz PVTTVCROTRHPRL-QGZVFWFLSA-N 1 3 302.506 4.249 20 0 DIADHO CC[NH+](CC)CCC[C@@H](C)NCc1c(F)ccc(Cl)c1F ZINC001258898680 1063875282 /nfs/dbraw/zinc/87/52/82/1063875282.db2.gz OYKXRMRIKUKQRL-GFCCVEGCSA-N 1 3 318.839 4.218 20 0 DIADHO C[C@@H](C[NH2+]CC[C@@H](C)N1CCCCC1)c1cccc(Cl)c1 ZINC001462080732 1063918844 /nfs/dbraw/zinc/91/88/44/1063918844.db2.gz DBEJTDSMCUFTKB-JKSUJKDBSA-N 1 3 308.897 4.298 20 0 DIADHO C[C@H](CCc1ccc(F)cc1)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC001462084311 1063920011 /nfs/dbraw/zinc/92/00/11/1063920011.db2.gz LWJZNSZBAAQMLC-IAGOWNOFSA-N 1 3 306.469 4.001 20 0 DIADHO C[C@@H](CCc1ccc(F)cc1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC001462084316 1063920916 /nfs/dbraw/zinc/92/09/16/1063920916.db2.gz LWJZNSZBAAQMLC-IRXDYDNUSA-N 1 3 306.469 4.001 20 0 DIADHO CSCc1cccc(C[NH2+]C2CCN(CCC(C)C)CC2)c1 ZINC001462114958 1063935462 /nfs/dbraw/zinc/93/54/62/1063935462.db2.gz HQVNWVAQFMGVAA-UHFFFAOYSA-N 1 3 320.546 4.150 20 0 DIADHO c1ccc(CN2CCCC[C@@H](C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000378965526 1063982948 /nfs/dbraw/zinc/98/29/48/1063982948.db2.gz UERFFAUBMPZUJW-JSXRDJHFSA-N 1 3 312.501 4.067 20 0 DIADHO Cc1cc(C)cc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379632652 1063984161 /nfs/dbraw/zinc/98/41/61/1063984161.db2.gz NUODOBAHRSWFBC-KNQAVFIVSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1cc(C)cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379632652 1063984169 /nfs/dbraw/zinc/98/41/69/1063984169.db2.gz NUODOBAHRSWFBC-KNQAVFIVSA-N 1 3 322.496 4.446 20 0 DIADHO c1ccc(C2CCC([N@@H+]3CCC[C@@]4(CCCNC4)C3)CC2)cc1 ZINC000391011239 1064178184 /nfs/dbraw/zinc/17/81/84/1064178184.db2.gz XAUUPVCJHGTKBW-XVAXZDLZSA-N 1 3 312.501 4.178 20 0 DIADHO c1ccc(C2CCC([N@H+]3CCC[C@@]4(CCCNC4)C3)CC2)cc1 ZINC000391011239 1064178191 /nfs/dbraw/zinc/17/81/91/1064178191.db2.gz XAUUPVCJHGTKBW-XVAXZDLZSA-N 1 3 312.501 4.178 20 0 DIADHO Cc1ccc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c2ccccc12 ZINC001279443717 1064351136 /nfs/dbraw/zinc/35/11/36/1064351136.db2.gz DAOHOFAUHMRRCU-NRFANRHFSA-N 1 3 308.469 4.066 20 0 DIADHO Cc1ccc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)c2ccccc12 ZINC001279443717 1064351144 /nfs/dbraw/zinc/35/11/44/1064351144.db2.gz DAOHOFAUHMRRCU-NRFANRHFSA-N 1 3 308.469 4.066 20 0 DIADHO CCN(CC)CCC[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC001307581458 1065497017 /nfs/dbraw/zinc/49/70/17/1065497017.db2.gz UDZCVDFUNXOYFI-FQEVSTJZSA-N 1 3 302.506 4.206 20 0 DIADHO CCN(CC)CCC[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC001307581458 1065497021 /nfs/dbraw/zinc/49/70/21/1065497021.db2.gz UDZCVDFUNXOYFI-FQEVSTJZSA-N 1 3 302.506 4.206 20 0 DIADHO CCCc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC001307593433 1065503711 /nfs/dbraw/zinc/50/37/11/1065503711.db2.gz ZDYDRGDKUFKUNI-TZIWHRDSSA-N 1 3 312.501 4.088 20 0 DIADHO CCCc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC001307593433 1065503716 /nfs/dbraw/zinc/50/37/16/1065503716.db2.gz ZDYDRGDKUFKUNI-TZIWHRDSSA-N 1 3 312.501 4.088 20 0 DIADHO C[C@@H]([NH2+]C[C@@H](C)C1CCCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC001307670005 1065554594 /nfs/dbraw/zinc/55/45/94/1065554594.db2.gz OXQMRPXTUVULGV-ZHALLVOQSA-N 1 3 306.538 4.445 20 0 DIADHO C[C@@H]([NH2+]CC1CCC2(CC2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC001307670753 1065554788 /nfs/dbraw/zinc/55/47/88/1065554788.db2.gz SYQCNGBCJFUODY-AEFFLSMTSA-N 1 3 304.522 4.199 20 0 DIADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2C[C@H]2CCCC[C@H]2C)CC1 ZINC001308001739 1065719320 /nfs/dbraw/zinc/71/93/20/1065719320.db2.gz HCWHZUOJADDBPY-AQNXPRMDSA-N 1 3 306.538 4.399 20 0 DIADHO CC1CCN(CC[C@@H]2CCC[N@H+]2C[C@H]2CCCC[C@H]2C)CC1 ZINC001308001739 1065719330 /nfs/dbraw/zinc/71/93/30/1065719330.db2.gz HCWHZUOJADDBPY-AQNXPRMDSA-N 1 3 306.538 4.399 20 0 DIADHO Cc1cc(F)c(CNCCCCCCC[NH+]2CCCC2)c(F)c1 ZINC001308254294 1065859549 /nfs/dbraw/zinc/85/95/49/1065859549.db2.gz RVVYFTQBUWGYFA-UHFFFAOYSA-N 1 3 324.459 4.409 20 0 DIADHO C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001308634210 1066129295 /nfs/dbraw/zinc/12/92/95/1066129295.db2.gz GDEAACGREIMYDS-UMSONDCASA-N 1 3 312.501 4.065 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C1CCC1 ZINC001308634049 1066129327 /nfs/dbraw/zinc/12/93/27/1066129327.db2.gz DGOASYGZTKDGFJ-NASSWSRMSA-N 1 3 312.501 4.065 20 0 DIADHO CC(C)N1CC[C@@H](C[NH2+]C2CCC(C3CCCCC3)CC2)C1 ZINC001308740382 1066212758 /nfs/dbraw/zinc/21/27/58/1066212758.db2.gz JIPTZYKYXYSGTQ-KKXNLOMOSA-N 1 3 306.538 4.445 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+]C2CCC(C3CCCCC3)CC2)C1 ZINC001308740383 1066213701 /nfs/dbraw/zinc/21/37/01/1066213701.db2.gz JIPTZYKYXYSGTQ-QHGAOEGBSA-N 1 3 306.538 4.445 20 0 DIADHO CC[N@H+](CCCNCC1(OC)CCCCCC1)C1CCCCC1 ZINC001308852650 1066334237 /nfs/dbraw/zinc/33/42/37/1066334237.db2.gz RQDCJYROSLXQIM-UHFFFAOYSA-N 1 3 324.553 4.360 20 0 DIADHO CC[N@@H+](CCCNCC1(OC)CCCCCC1)C1CCCCC1 ZINC001308852650 1066334261 /nfs/dbraw/zinc/33/42/61/1066334261.db2.gz RQDCJYROSLXQIM-UHFFFAOYSA-N 1 3 324.553 4.360 20 0 DIADHO CN1CCCC[C@H](C[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001308863996 1066345414 /nfs/dbraw/zinc/34/54/14/1066345414.db2.gz OPQUYGDXAZVQLL-LZQZEXGQSA-N 1 3 320.908 4.298 20 0 DIADHO CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+]CC[C@H](C)N(C)C)cc1 ZINC001308881964 1066362782 /nfs/dbraw/zinc/36/27/82/1066362782.db2.gz BGTKCMTYNTZWOO-RCCFBDPRSA-N 1 3 304.522 4.307 20 0 DIADHO C[C@H](CC[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)N(C)C ZINC001308882792 1066363154 /nfs/dbraw/zinc/36/31/54/1066363154.db2.gz NBMVPYCYADEOAX-KYJSFNMBSA-N 1 3 308.897 4.296 20 0 DIADHO C[C@H](CC[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1)N(C)C ZINC001308882789 1066364290 /nfs/dbraw/zinc/36/42/90/1066364290.db2.gz NBMVPYCYADEOAX-HFTRVMKXSA-N 1 3 308.897 4.296 20 0 DIADHO C[NH+](C)CC[C@@H](N[C@@H]1CCCC12CCCCC2)c1cccnc1 ZINC001308947528 1066412820 /nfs/dbraw/zinc/41/28/20/1066412820.db2.gz GBGFVPQXYWKRFI-RTBURBONSA-N 1 3 315.505 4.167 20 0 DIADHO Cc1cc(C)c(/C=C\C[N@@H+](C)CC(C)(C)CN(C)C)cc1C ZINC001308969479 1066425266 /nfs/dbraw/zinc/42/52/66/1066425266.db2.gz SVGPOVBANUKKRQ-KTKRTIGZSA-N 1 3 302.506 4.145 20 0 DIADHO Cc1cc(C)c(/C=C\C[N@H+](C)CC(C)(C)CN(C)C)cc1C ZINC001308969479 1066425268 /nfs/dbraw/zinc/42/52/68/1066425268.db2.gz SVGPOVBANUKKRQ-KTKRTIGZSA-N 1 3 302.506 4.145 20 0 DIADHO CCN(CC)CC[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1ccccc1 ZINC001308981209 1066431858 /nfs/dbraw/zinc/43/18/58/1066431858.db2.gz GDNSXRTWHIHANG-LWYYNNOASA-N 1 3 300.490 4.238 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1cccs1 ZINC000021798925 182290246 /nfs/dbraw/zinc/29/02/46/182290246.db2.gz MERGIZYFHHYBBQ-HNNXBMFYSA-N 1 3 302.487 4.441 20 0 DIADHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1ccc(Cl)cn1 ZINC000274881222 130269701 /nfs/dbraw/zinc/26/97/01/130269701.db2.gz HMSBPBSFBFDRRH-OAHLLOKOSA-N 1 3 309.885 4.042 20 0 DIADHO C[C@H](NCCCCC[NH+]1CCCCC1)c1ccc(Cl)cn1 ZINC000274881221 130270063 /nfs/dbraw/zinc/27/00/63/130270063.db2.gz HMSBPBSFBFDRRH-HNNXBMFYSA-N 1 3 309.885 4.042 20 0 DIADHO C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000121712765 132157865 /nfs/dbraw/zinc/15/78/65/132157865.db2.gz IAWOWOYFGHYPLE-SFHVURJKSA-N 1 3 308.469 4.044 20 0 DIADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000537948000 331535118 /nfs/dbraw/zinc/53/51/18/331535118.db2.gz ROCNEGRAWPVJDM-PBHICJAKSA-N 1 3 314.464 4.197 20 0 DIADHO CC(C)[C@H]1C[C@@H](NC2CC[NH+](C(C)C)CC2)c2ccccc21 ZINC000448020361 332178536 /nfs/dbraw/zinc/17/85/36/332178536.db2.gz BQGPUMZKRBSUJW-WOJBJXKFSA-N 1 3 300.490 4.333 20 0 DIADHO CC(C)COc1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2)cc1 ZINC000570212224 332726242 /nfs/dbraw/zinc/72/62/42/332726242.db2.gz YIPDDQIQANFARI-MRXNPFEDSA-N 1 3 312.457 4.031 20 0 DIADHO N[C@H]1CCC[C@H]([NH2+]CCC(c2ccccc2)c2ccccc2)C1 ZINC000580212677 333012981 /nfs/dbraw/zinc/01/29/81/333012981.db2.gz UIBIBPMECUQOJI-PMACEKPBSA-N 1 3 308.469 4.068 20 0 DIADHO CC(C)Oc1ccc([C@@H](C)[NH2+]CCCN2CCCCC2)cc1 ZINC000314070019 333085707 /nfs/dbraw/zinc/08/57/07/333085707.db2.gz SUEMPFMAXZAICS-QGZVFWFLSA-N 1 3 304.478 4.000 20 0 DIADHO C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000462744688 333106736 /nfs/dbraw/zinc/10/67/36/333106736.db2.gz MKMPAYHPCQUHHD-CRAIPNDOSA-N 1 3 320.908 4.330 20 0 DIADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000537936710 333111488 /nfs/dbraw/zinc/11/14/88/333111488.db2.gz DYXOCCVBNVZQRE-VQTJNVASSA-N 1 3 315.505 4.102 20 0 DIADHO CC(C)[NH+]1CCC(N[C@@H]2c3ccccc3CCC[C@H]2C)CC1 ZINC000462840213 333124734 /nfs/dbraw/zinc/12/47/34/333124734.db2.gz PZSSQMGAQFVSTN-UZLBHIALSA-N 1 3 300.490 4.163 20 0 DIADHO CCC[NH+]1CCC(CNCc2ccc(-c3ccccc3)o2)CC1 ZINC000518777545 333160436 /nfs/dbraw/zinc/16/04/36/333160436.db2.gz JEZBXFVLENQTFR-UHFFFAOYSA-N 1 3 312.457 4.158 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@H](c2cc3ccccc3o2)C(C)(C)C)C1 ZINC000497829237 333297441 /nfs/dbraw/zinc/29/74/41/333297441.db2.gz RBONCHHGSWMTFL-HNAYVOBHSA-N 1 3 314.473 4.451 20 0 DIADHO CC(C)[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cn1 ZINC000497850382 333301112 /nfs/dbraw/zinc/30/11/12/333301112.db2.gz ZDQDBMKTIKRGCS-QFBILLFUSA-N 1 3 321.484 4.162 20 0 DIADHO CC(C)[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)cn1 ZINC000497850382 333301113 /nfs/dbraw/zinc/30/11/13/333301113.db2.gz ZDQDBMKTIKRGCS-QFBILLFUSA-N 1 3 321.484 4.162 20 0 DIADHO CC(C)[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(F)cn1 ZINC000497851905 333301568 /nfs/dbraw/zinc/30/15/68/333301568.db2.gz HPSLGVMAFIIPRM-LPHOPBHVSA-N 1 3 321.484 4.020 20 0 DIADHO CC(C)[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(F)cn1 ZINC000497851905 333301570 /nfs/dbraw/zinc/30/15/70/333301570.db2.gz HPSLGVMAFIIPRM-LPHOPBHVSA-N 1 3 321.484 4.020 20 0 DIADHO [NH3+]Cc1ccc(CN[C@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000563153613 333398014 /nfs/dbraw/zinc/39/80/14/333398014.db2.gz ARQBLXBNGWIURT-INIZCTEOSA-N 1 3 318.873 4.125 20 0 DIADHO [NH3+]Cc1ccc(CN[C@@H]2CCc3c2cc(Cl)cc3Cl)cc1 ZINC000563153596 333398082 /nfs/dbraw/zinc/39/80/82/333398082.db2.gz CDIWVQZRNIYWEL-QGZVFWFLSA-N 1 3 321.251 4.229 20 0 DIADHO CC(C)COc1cccc(CNCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414801703 334103073 /nfs/dbraw/zinc/10/30/73/334103073.db2.gz AMRJIUWLNBABGD-INIZCTEOSA-N 1 3 312.457 4.031 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CNCc2cccc(C(F)(F)F)c2)cc1 ZINC000414806057 334103497 /nfs/dbraw/zinc/10/34/97/334103497.db2.gz HAJAGHINBJWPIR-GFCCVEGCSA-N 1 3 308.347 4.015 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(C(C)(C)C)s2)cc1 ZINC000414812801 334106225 /nfs/dbraw/zinc/10/62/25/334106225.db2.gz RUNJOTQTNRPZIE-CYBMUJFWSA-N 1 3 302.487 4.355 20 0 DIADHO C[C@@H](NCc1ccc(-c2cccc(F)c2)s1)[C@@H]1CCC[NH2+]C1 ZINC000414849075 334120952 /nfs/dbraw/zinc/12/09/52/334120952.db2.gz HCXOPHDRKCKOFE-UKRRQHHQSA-N 1 3 318.461 4.032 20 0 DIADHO C[C@H](NCc1ccc(-c2cccc(F)c2)s1)[C@@H]1CCC[NH2+]C1 ZINC000414849068 334120959 /nfs/dbraw/zinc/12/09/59/334120959.db2.gz HCXOPHDRKCKOFE-DZGCQCFKSA-N 1 3 318.461 4.032 20 0 DIADHO C[C@H](NCCCCC[NH+]1CCCC1)c1ccc2ccccc2n1 ZINC000293593696 334199351 /nfs/dbraw/zinc/19/93/51/334199351.db2.gz CYCMGQNKQGKIHY-KRWDZBQOSA-N 1 3 311.473 4.152 20 0 DIADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1cccc(C2CC2)c1 ZINC000297398916 334241022 /nfs/dbraw/zinc/24/10/22/334241022.db2.gz KFFLBPPKLVMGIS-INIZCTEOSA-N 1 3 321.468 4.279 20 0 DIADHO C[C@H](NC1CCC(C[NH3+])CC1)c1cccc(Cl)c1Cl ZINC000415086728 334275250 /nfs/dbraw/zinc/27/52/50/334275250.db2.gz KDFXUBJQLBIFTN-UNXYVOJBSA-N 1 3 301.261 4.162 20 0 DIADHO CCC[C@@H](N[C@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000415098545 334281443 /nfs/dbraw/zinc/28/14/43/334281443.db2.gz FNTPDHFVJGPMMO-JKSUJKDBSA-N 1 3 314.395 4.278 20 0 DIADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000531961976 334312539 /nfs/dbraw/zinc/31/25/39/334312539.db2.gz DTBZLADZROWMKR-AWEZNQCLSA-N 1 3 324.896 4.264 20 0 DIADHO COc1ccccc1[C@@H](C)NCCCCC[NH+]1CCCCC1 ZINC000531973135 334335643 /nfs/dbraw/zinc/33/56/43/334335643.db2.gz SWUBRDUAWOJGEC-QGZVFWFLSA-N 1 3 304.478 4.002 20 0 DIADHO CC(C)[N@H+](C)CC1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000535083210 334366449 /nfs/dbraw/zinc/36/64/49/334366449.db2.gz RHVJBUZBLWWOCB-UHFFFAOYSA-N 1 3 318.436 4.124 20 0 DIADHO CC(C)[N@@H+](C)CC1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000535083210 334366450 /nfs/dbraw/zinc/36/64/50/334366450.db2.gz RHVJBUZBLWWOCB-UHFFFAOYSA-N 1 3 318.436 4.124 20 0 DIADHO CCSc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000535231489 334381275 /nfs/dbraw/zinc/38/12/75/334381275.db2.gz ZXPBTFRECVXARS-XIRDDKMYSA-N 1 3 306.519 4.322 20 0 DIADHO C[C@@H]1C[C@H](N[C@H](CC2CC2)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000345283790 335313471 /nfs/dbraw/zinc/31/34/71/335313471.db2.gz BLCZVFVILVNPOV-FSPWUOQZSA-N 1 3 306.881 4.254 20 0 DIADHO C[C@@H]1C[C@H](N[C@H](CC2CC2)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000345283790 335313472 /nfs/dbraw/zinc/31/34/72/335313472.db2.gz BLCZVFVILVNPOV-FSPWUOQZSA-N 1 3 306.881 4.254 20 0 DIADHO CC[NH+]1CCC(N[C@@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000345693320 335342378 /nfs/dbraw/zinc/34/23/78/335342378.db2.gz QLQZSKSHZKTZBC-SFHVURJKSA-N 1 3 306.881 4.255 20 0 DIADHO CCC[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccsc1 ZINC000191193076 335639070 /nfs/dbraw/zinc/63/90/70/335639070.db2.gz JEKCMOJWGFTICJ-GOSISDBHSA-N 1 3 302.487 4.441 20 0 DIADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(Cl)c(F)c1 ZINC000535777800 335765194 /nfs/dbraw/zinc/76/51/94/335765194.db2.gz OWCUNUMZIDZURS-CYBMUJFWSA-N 1 3 320.839 4.392 20 0 DIADHO C/C(=C\c1ccccc1)CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000520208887 335939510 /nfs/dbraw/zinc/93/95/10/335939510.db2.gz UHMBPAVKKBGASF-XDJHFCHBSA-N 1 3 320.480 4.476 20 0 DIADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1Cl ZINC000532482764 336251609 /nfs/dbraw/zinc/25/16/09/336251609.db2.gz BPFKSDDASRIQDD-HUUCEWRRSA-N 1 3 324.896 4.120 20 0 DIADHO C[C@H](C[N@@H+]1CCC[C@@H](N2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000580375261 336261585 /nfs/dbraw/zinc/26/15/85/336261585.db2.gz XFCGLIHBZKUUDH-FTEYMNFISA-N 1 3 300.490 4.127 20 0 DIADHO C[C@H](C[N@H+]1CCC[C@@H](N2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000580375261 336261586 /nfs/dbraw/zinc/26/15/86/336261586.db2.gz XFCGLIHBZKUUDH-FTEYMNFISA-N 1 3 300.490 4.127 20 0 DIADHO CC1CC[NH+](C2CCC(NCc3ccc(Cl)o3)CC2)CC1 ZINC000532784528 336271037 /nfs/dbraw/zinc/27/10/37/336271037.db2.gz DEWLBZJMKVQAON-UHFFFAOYSA-N 1 3 310.869 4.066 20 0 DIADHO C[C@H]([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000417994413 336287233 /nfs/dbraw/zinc/28/72/33/336287233.db2.gz YVNKARUWPISPKG-MCNSAMFCSA-N 1 3 312.501 4.033 20 0 DIADHO Cc1nc2ccccc2c(N2CCC[C@@H]([NH+]3CCCC3)CC2)c1C ZINC000302102864 336348603 /nfs/dbraw/zinc/34/86/03/336348603.db2.gz VWUBBVZFSLYDAH-GOSISDBHSA-N 1 3 323.484 4.306 20 0 DIADHO CC(C)Sc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152443252 336384469 /nfs/dbraw/zinc/38/44/69/336384469.db2.gz JMGQLVPDFBGHPR-CVEARBPZSA-N 1 3 318.530 4.322 20 0 DIADHO CC(C)Sc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152443252 336384470 /nfs/dbraw/zinc/38/44/70/336384470.db2.gz JMGQLVPDFBGHPR-CVEARBPZSA-N 1 3 318.530 4.322 20 0 DIADHO CC[NH+]1CCC(CCN[C@@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000483716354 336875992 /nfs/dbraw/zinc/87/59/92/336875992.db2.gz ZKRBZDRUDFZAPH-AWEZNQCLSA-N 1 3 324.896 4.121 20 0 DIADHO CC(C)CN1CCC[C@@H](C[NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000582466421 337093524 /nfs/dbraw/zinc/09/35/24/337093524.db2.gz QGAUOKCNBWFLLJ-MOPGFXCFSA-N 1 3 302.506 4.138 20 0 DIADHO CC(C)C[N@@H+]1CCC[C@@H](CNCC[C@@H](C)c2ccccc2)C1 ZINC000582466421 337093525 /nfs/dbraw/zinc/09/35/25/337093525.db2.gz QGAUOKCNBWFLLJ-MOPGFXCFSA-N 1 3 302.506 4.138 20 0 DIADHO CC(C)C[N@H+]1CCC[C@@H](CNCC[C@@H](C)c2ccccc2)C1 ZINC000582466421 337093526 /nfs/dbraw/zinc/09/35/26/337093526.db2.gz QGAUOKCNBWFLLJ-MOPGFXCFSA-N 1 3 302.506 4.138 20 0 DIADHO C[C@@H]1C[C@H]1c1ccc(CNCCCC[N@@H+]2CCCC[C@H]2C)o1 ZINC000583710717 337095124 /nfs/dbraw/zinc/09/51/24/337095124.db2.gz NSMVTUSSRXAKLQ-JFIYKMOQSA-N 1 3 304.478 4.147 20 0 DIADHO C[C@@H]1C[C@H]1c1ccc(CNCCCC[N@H+]2CCCC[C@H]2C)o1 ZINC000583710717 337095125 /nfs/dbraw/zinc/09/51/25/337095125.db2.gz NSMVTUSSRXAKLQ-JFIYKMOQSA-N 1 3 304.478 4.147 20 0 DIADHO Cc1nc(C)c([C@@H](C)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000178111407 337162432 /nfs/dbraw/zinc/16/24/32/337162432.db2.gz IZHMHGBIBYLRBM-QLFBSQMISA-N 1 3 323.550 4.169 20 0 DIADHO Cc1nc(C)c([C@@H](C)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000178111407 337162433 /nfs/dbraw/zinc/16/24/33/337162433.db2.gz IZHMHGBIBYLRBM-QLFBSQMISA-N 1 3 323.550 4.169 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CCc2ccc(Cl)s2)C1 ZINC000582991793 337223205 /nfs/dbraw/zinc/22/32/05/337223205.db2.gz FZSNVGUHWLNSJJ-ZIAGYGMSSA-N 1 3 314.926 4.043 20 0 DIADHO Clc1c2ccccc2sc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000431044038 337304558 /nfs/dbraw/zinc/30/45/58/337304558.db2.gz URNXLBYWPRSDAM-UHFFFAOYSA-N 1 3 320.889 4.130 20 0 DIADHO Cc1sccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398020090 337304617 /nfs/dbraw/zinc/30/46/17/337304617.db2.gz JPKFGJFMNGBCPS-DNVCBOLYSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1sccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398020090 337304618 /nfs/dbraw/zinc/30/46/18/337304618.db2.gz JPKFGJFMNGBCPS-DNVCBOLYSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1c1ccccc1 ZINC000583316388 337314406 /nfs/dbraw/zinc/31/44/06/337314406.db2.gz XDHKVKFYEQAFPA-RRMPHLOHSA-N 1 3 323.484 4.083 20 0 DIADHO Cc1nc(C)c([C@H](C)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000246967669 337556532 /nfs/dbraw/zinc/55/65/32/337556532.db2.gz IZHMHGBIBYLRBM-KFWWJZLASA-N 1 3 323.550 4.169 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000422770326 337685872 /nfs/dbraw/zinc/68/58/72/337685872.db2.gz WCKZHUYFASWIBL-GOEBONIOSA-N 1 3 319.452 4.414 20 0 DIADHO CC[C@@H](C)[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000422791973 337686916 /nfs/dbraw/zinc/68/69/16/337686916.db2.gz YXOBMURDRHHVGI-IJTINZQLSA-N 1 3 306.881 4.300 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000422816561 337687878 /nfs/dbraw/zinc/68/78/78/337687878.db2.gz ATLBIBKZBIEHKM-KFWWJZLASA-N 1 3 303.494 4.104 20 0 DIADHO c1ccc(CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC000422939615 337692559 /nfs/dbraw/zinc/69/25/59/337692559.db2.gz IBAMPUWARNCKMO-IUPYZPJSSA-N 1 3 320.480 4.233 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)C1=CCCCC1 ZINC000423049623 337697110 /nfs/dbraw/zinc/69/71/10/337697110.db2.gz KAJUCFYILJFPFJ-AWEZNQCLSA-N 1 3 301.478 4.026 20 0 DIADHO Cc1ccccc1[C@@H](CC(F)(F)F)N[C@H](C)CCCC[NH3+] ZINC000423086335 337698736 /nfs/dbraw/zinc/69/87/36/337698736.db2.gz LRJJLYAJRKLVAP-UKRRQHHQSA-N 1 3 302.384 4.096 20 0 DIADHO Clc1cccc([C@H]2C[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423093234 337698904 /nfs/dbraw/zinc/69/89/04/337698904.db2.gz GQULQEKEAQEFAR-RXABAKJHSA-N 1 3 318.892 4.096 20 0 DIADHO Clc1sc(Cl)c2c1CCC[C@H]2NCC[C@@H]1CC[NH2+]C1 ZINC000423247270 337707030 /nfs/dbraw/zinc/70/70/30/337707030.db2.gz KYFAFBCSEPKQKZ-GXSJLCMTSA-N 1 3 319.301 4.022 20 0 DIADHO Clc1sc(Cl)c2c1CCC[C@H]2NCC[C@H]1CC[NH2+]C1 ZINC000423247272 337707061 /nfs/dbraw/zinc/70/70/61/337707061.db2.gz KYFAFBCSEPKQKZ-MWLCHTKSSA-N 1 3 319.301 4.022 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000423296377 337710865 /nfs/dbraw/zinc/71/08/65/337710865.db2.gz YZYJSJSLSXAEGC-CHWSQXEVSA-N 1 3 320.383 4.159 20 0 DIADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccc(Oc2ccccc2)cc1 ZINC000423330486 337712293 /nfs/dbraw/zinc/71/22/93/337712293.db2.gz BYPHINPNHWNEAD-MRXNPFEDSA-N 1 3 308.425 4.049 20 0 DIADHO C[C@@H](NCC1=CC[NH2+]CC1)c1cc2c(ccc3ccccc23)o1 ZINC000423349955 337713511 /nfs/dbraw/zinc/71/35/11/337713511.db2.gz XXXKYVCJDKOADY-CQSZACIVSA-N 1 3 306.409 4.156 20 0 DIADHO CC(C)C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccs1 ZINC000423372772 337715162 /nfs/dbraw/zinc/71/51/62/337715162.db2.gz HCNWWHLJESZGJE-KRWDZBQOSA-N 1 3 300.471 4.228 20 0 DIADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc2cc(Cl)ccc2o1 ZINC000423424751 337717025 /nfs/dbraw/zinc/71/70/25/337717025.db2.gz CTSRSINZXQSJLL-XFBWCDHKSA-N 1 3 318.848 4.125 20 0 DIADHO CC(C)Oc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000423378922 337717580 /nfs/dbraw/zinc/71/75/80/337717580.db2.gz XACYFQVHSKWSOW-QEJZJMRPSA-N 1 3 310.869 4.048 20 0 DIADHO COc1ccc(C)cc1[C@H](C)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423495607 337722998 /nfs/dbraw/zinc/72/29/98/337722998.db2.gz CEBJXZXCCRQRBT-QFBILLFUSA-N 1 3 312.457 4.134 20 0 DIADHO COc1ccc(C)cc1[C@H](C)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423495606 337723000 /nfs/dbraw/zinc/72/30/00/337723000.db2.gz CEBJXZXCCRQRBT-LPHOPBHVSA-N 1 3 312.457 4.134 20 0 DIADHO COc1ccc2c(c1)[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)CCC2 ZINC000423496698 337723065 /nfs/dbraw/zinc/72/30/65/337723065.db2.gz FJFGIRMOQBSKAQ-SFTDATJTSA-N 1 3 324.468 4.142 20 0 DIADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1nccc2ccccc21 ZINC000423500997 337723335 /nfs/dbraw/zinc/72/33/35/337723335.db2.gz CKXPVSYLAIBIBH-OXJNMPFZSA-N 1 3 319.452 4.366 20 0 DIADHO CC[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1cccc(F)c1 ZINC000423499865 337723421 /nfs/dbraw/zinc/72/34/21/337723421.db2.gz BHLYKYOOZNKDHJ-RTBURBONSA-N 1 3 300.421 4.347 20 0 DIADHO [NH3+]CCC[C@@H](N[C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000423506172 337723665 /nfs/dbraw/zinc/72/36/65/337723665.db2.gz OUXZQVOISQXBEY-QZTJIDSGSA-N 1 3 312.482 4.293 20 0 DIADHO CC[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cc(F)ccc1F ZINC000423510988 337723973 /nfs/dbraw/zinc/72/39/73/337723973.db2.gz SYQRKWWLPPOUDR-OALUTQOASA-N 1 3 318.411 4.486 20 0 DIADHO CC[NH+](CC)C[C@H]1CCN([C@@H](C)CCSc2ccccc2)C1 ZINC000431606571 338134599 /nfs/dbraw/zinc/13/45/99/338134599.db2.gz FNMNEBOERJVBRP-ZWKOTPCHSA-N 1 3 320.546 4.221 20 0 DIADHO CCN(CC)C[C@H]1CC[N@@H+]([C@@H](C)CCSc2ccccc2)C1 ZINC000431606571 338134600 /nfs/dbraw/zinc/13/46/00/338134600.db2.gz FNMNEBOERJVBRP-ZWKOTPCHSA-N 1 3 320.546 4.221 20 0 DIADHO CCN(CC)C[C@H]1CC[N@H+]([C@@H](C)CCSc2ccccc2)C1 ZINC000431606571 338134601 /nfs/dbraw/zinc/13/46/01/338134601.db2.gz FNMNEBOERJVBRP-ZWKOTPCHSA-N 1 3 320.546 4.221 20 0 DIADHO CC1(C)CCc2ccccc2[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000436307937 338268281 /nfs/dbraw/zinc/26/82/81/338268281.db2.gz OTVQBBKUBNIBOY-WSTZPKSXSA-N 1 3 312.501 4.307 20 0 DIADHO CC1(C)CCc2ccccc2[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000436307937 338268282 /nfs/dbraw/zinc/26/82/82/338268282.db2.gz OTVQBBKUBNIBOY-WSTZPKSXSA-N 1 3 312.501 4.307 20 0 DIADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000436312121 338268541 /nfs/dbraw/zinc/26/85/41/338268541.db2.gz JRERLDIJFHQYLA-HLAWJBBLSA-N 1 3 314.517 4.280 20 0 DIADHO C[C@@H](Cc1ccccc1F)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000437757851 338320309 /nfs/dbraw/zinc/32/03/09/338320309.db2.gz ZBWWCTJYWOKZIV-INIZCTEOSA-N 1 3 318.480 4.001 20 0 DIADHO C[C@@H](Cc1ccccc1F)NC1CC[NH+](CC2CCCC2)CC1 ZINC000437757851 338320310 /nfs/dbraw/zinc/32/03/10/338320310.db2.gz ZBWWCTJYWOKZIV-INIZCTEOSA-N 1 3 318.480 4.001 20 0 DIADHO CCCN(C)C[C@@H]1CC[N@@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000438109474 338332237 /nfs/dbraw/zinc/33/22/37/338332237.db2.gz OILQFDJLBUDPRC-SESVDKBCSA-N 1 3 314.517 4.161 20 0 DIADHO CCCN(C)C[C@@H]1CC[N@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000438109474 338332238 /nfs/dbraw/zinc/33/22/38/338332238.db2.gz OILQFDJLBUDPRC-SESVDKBCSA-N 1 3 314.517 4.161 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000438198213 338336290 /nfs/dbraw/zinc/33/62/90/338336290.db2.gz GQOOFBYDMIBZDL-HLAWJBBLSA-N 1 3 314.517 4.207 20 0 DIADHO CCN(C)C[C@H]1CC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000438849130 338353822 /nfs/dbraw/zinc/35/38/22/338353822.db2.gz DDCBEZNGWSLUER-LJQANCHMSA-N 1 3 322.496 4.092 20 0 DIADHO CCN(C)C[C@H]1CC[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000438849130 338353823 /nfs/dbraw/zinc/35/38/23/338353823.db2.gz DDCBEZNGWSLUER-LJQANCHMSA-N 1 3 322.496 4.092 20 0 DIADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1Cl ZINC000447576029 338558207 /nfs/dbraw/zinc/55/82/07/338558207.db2.gz AGWLHKHUPYJWJP-LBPRGKRZSA-N 1 3 310.844 4.004 20 0 DIADHO CC[NH+]1CCC(CCNCc2c(Cl)cccc2Cl)CC1 ZINC000462765234 339087605 /nfs/dbraw/zinc/08/76/05/339087605.db2.gz HQXQMGKKIURXNH-UHFFFAOYSA-N 1 3 315.288 4.205 20 0 DIADHO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C1 ZINC000462780840 339088152 /nfs/dbraw/zinc/08/81/52/339088152.db2.gz ZOCGEDZRURRZMM-HMXCVIKNSA-N 1 3 314.517 4.109 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)C1 ZINC000464082608 339133682 /nfs/dbraw/zinc/13/36/82/339133682.db2.gz PEAPKWNVMKDVPO-RLLQIKCJSA-N 1 3 314.517 4.279 20 0 DIADHO c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCN3CCC[C@H]3C2)cc1 ZINC000468357030 339260530 /nfs/dbraw/zinc/26/05/30/339260530.db2.gz ODVPOGKOOWAOIX-WOZUAGRISA-N 1 3 312.501 4.004 20 0 DIADHO CC(C)[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)Cc1ccccc1 ZINC000468816565 339271676 /nfs/dbraw/zinc/27/16/76/339271676.db2.gz CADUUNYLHWZCRM-LJQANCHMSA-N 1 3 316.533 4.354 20 0 DIADHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1csc(Cl)c1 ZINC000468847860 339272557 /nfs/dbraw/zinc/27/25/57/339272557.db2.gz GJLQRLMFVQSEGS-GFCCVEGCSA-N 1 3 300.899 4.174 20 0 DIADHO CC(C)c1ccc(CCN(C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000469349870 339286682 /nfs/dbraw/zinc/28/66/82/339286682.db2.gz ZSZJHRRJDKDFDL-UHFFFAOYSA-N 1 3 302.506 4.157 20 0 DIADHO CC(C)CN1CCC([NH2+]C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000470192837 339313623 /nfs/dbraw/zinc/31/36/23/339313623.db2.gz CSYYULYUVKQJJB-HNNXBMFYSA-N 1 3 308.897 4.154 20 0 DIADHO CC(C)C[NH+]1CCC(NC[C@H](C)c2cccc(Cl)c2)CC1 ZINC000470192837 339313624 /nfs/dbraw/zinc/31/36/24/339313624.db2.gz CSYYULYUVKQJJB-HNNXBMFYSA-N 1 3 308.897 4.154 20 0 DIADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000472727389 339376524 /nfs/dbraw/zinc/37/65/24/339376524.db2.gz GFGFJFCQMBSSFV-SJLPKXTDSA-N 1 3 306.881 4.004 20 0 DIADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000472727389 339376525 /nfs/dbraw/zinc/37/65/25/339376525.db2.gz GFGFJFCQMBSSFV-SJLPKXTDSA-N 1 3 306.881 4.004 20 0 DIADHO CCCN1CCC([N@H+](C)Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000473143245 339382686 /nfs/dbraw/zinc/38/26/86/339382686.db2.gz LQSOAAXZWUBIGS-UHFFFAOYSA-N 1 3 313.489 4.091 20 0 DIADHO CCCN1CCC([N@@H+](C)Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000473143245 339382687 /nfs/dbraw/zinc/38/26/87/339382687.db2.gz LQSOAAXZWUBIGS-UHFFFAOYSA-N 1 3 313.489 4.091 20 0 DIADHO CCN1CC[C@@H]([N@H+](C)Cc2cc3c(ccc(C)c3C)[nH]2)C[C@H]1C ZINC000473149861 339383051 /nfs/dbraw/zinc/38/30/51/339383051.db2.gz YJWOYDZULYEXMK-CRAIPNDOSA-N 1 3 313.489 4.089 20 0 DIADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc3c(ccc(C)c3C)[nH]2)C[C@H]1C ZINC000473149861 339383052 /nfs/dbraw/zinc/38/30/52/339383052.db2.gz YJWOYDZULYEXMK-CRAIPNDOSA-N 1 3 313.489 4.089 20 0 DIADHO CCN1CC[C@H]([N@H+](C)Cc2cc3c(ccc(C)c3C)[nH]2)C[C@@H]1C ZINC000473149866 339383137 /nfs/dbraw/zinc/38/31/37/339383137.db2.gz YJWOYDZULYEXMK-YJBOKZPZSA-N 1 3 313.489 4.089 20 0 DIADHO CCN1CC[C@H]([N@@H+](C)Cc2cc3c(ccc(C)c3C)[nH]2)C[C@@H]1C ZINC000473149866 339383138 /nfs/dbraw/zinc/38/31/38/339383138.db2.gz YJWOYDZULYEXMK-YJBOKZPZSA-N 1 3 313.489 4.089 20 0 DIADHO C[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CCC(F)(F)CC1 ZINC000474061966 339400079 /nfs/dbraw/zinc/40/00/79/339400079.db2.gz BRLBGUVWBZULHF-CQSZACIVSA-N 1 3 310.432 4.052 20 0 DIADHO CCCc1cccc(C[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000479455111 339535819 /nfs/dbraw/zinc/53/58/19/339535819.db2.gz MJVPCALOPMSJKH-UHFFFAOYSA-N 1 3 323.484 4.040 20 0 DIADHO C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000480243225 339564970 /nfs/dbraw/zinc/56/49/70/339564970.db2.gz RYXCLFBJQSUIHC-BZUAXINKSA-N 1 3 323.912 4.144 20 0 DIADHO CCOc1ccc(Cl)cc1[C@H](C)NCCC1CC[NH+](C)CC1 ZINC000482334226 339629725 /nfs/dbraw/zinc/62/97/25/339629725.db2.gz KTAAKJHIACSVPU-AWEZNQCLSA-N 1 3 324.896 4.121 20 0 DIADHO CC[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)C1CC1 ZINC000482630303 339638194 /nfs/dbraw/zinc/63/81/94/339638194.db2.gz NGXGPHUHUBLLJD-IBGZPJMESA-N 1 3 320.908 4.330 20 0 DIADHO CC[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(F)cn1 ZINC000490152907 339827241 /nfs/dbraw/zinc/82/72/41/339827241.db2.gz YURWWNJMEJAYPR-NUJGCVRESA-N 1 3 321.484 4.020 20 0 DIADHO CC[C@H](NCC1CC[NH+](CCC(C)C)CC1)c1ccc(F)cn1 ZINC000493200208 339919575 /nfs/dbraw/zinc/91/95/75/339919575.db2.gz BYUMHNMKVDIGQD-SFHVURJKSA-N 1 3 321.484 4.020 20 0 DIADHO CC(C)[C@@H](NCCCCC[NH+]1CCCCC1)c1ccc(F)cn1 ZINC000498930693 340026324 /nfs/dbraw/zinc/02/63/24/340026324.db2.gz PJTSCLXMHNPSBK-LJQANCHMSA-N 1 3 321.484 4.164 20 0 DIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000498932060 340026376 /nfs/dbraw/zinc/02/63/76/340026376.db2.gz UEVQEKKLFFVUFA-VAMGGRTRSA-N 1 3 316.464 4.224 20 0 DIADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccc(Cl)s2)C1 ZINC000500563609 340061500 /nfs/dbraw/zinc/06/15/00/340061500.db2.gz YGEIMJJATZMZGS-ZIAGYGMSSA-N 1 3 314.926 4.249 20 0 DIADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccc(Cl)s2)C1 ZINC000500563608 340062377 /nfs/dbraw/zinc/06/23/77/340062377.db2.gz YGEIMJJATZMZGS-OKILXGFUSA-N 1 3 314.926 4.249 20 0 DIADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccc(Cl)s2)C1 ZINC000500563608 340062378 /nfs/dbraw/zinc/06/23/78/340062378.db2.gz YGEIMJJATZMZGS-OKILXGFUSA-N 1 3 314.926 4.249 20 0 DIADHO Cc1ccccc1[C@@H](C)[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501067566 340073663 /nfs/dbraw/zinc/07/36/63/340073663.db2.gz JALRFYDFCZCUFJ-GOSISDBHSA-N 1 3 323.484 4.299 20 0 DIADHO Cc1ccccc1[C@@H](C)[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501067566 340073664 /nfs/dbraw/zinc/07/36/64/340073664.db2.gz JALRFYDFCZCUFJ-GOSISDBHSA-N 1 3 323.484 4.299 20 0 DIADHO CC(C)Oc1cccc(CN2CCC(CCC[NH+](C)C)CC2)c1 ZINC000501778211 340088515 /nfs/dbraw/zinc/08/85/15/340088515.db2.gz UHCCGFOGISDOMZ-UHFFFAOYSA-N 1 3 318.505 4.028 20 0 DIADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CC[C@H]1CCCN1C ZINC000502703031 340111477 /nfs/dbraw/zinc/11/14/77/340111477.db2.gz UPTXRQXOIJPLEG-CZUORRHYSA-N 1 3 314.395 4.183 20 0 DIADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CC[C@H]1CCCN1C ZINC000502703031 340111478 /nfs/dbraw/zinc/11/14/78/340111478.db2.gz UPTXRQXOIJPLEG-CZUORRHYSA-N 1 3 314.395 4.183 20 0 DIADHO CCc1ccc([C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C(C)C)cc1 ZINC000506127771 340186475 /nfs/dbraw/zinc/18/64/75/340186475.db2.gz TYVNRGSLTHIOIL-XUVXKRRUSA-N 1 3 300.490 4.163 20 0 DIADHO CCc1ccc([C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C(C)C)cc1 ZINC000506127771 340186476 /nfs/dbraw/zinc/18/64/76/340186476.db2.gz TYVNRGSLTHIOIL-XUVXKRRUSA-N 1 3 300.490 4.163 20 0 DIADHO Cc1ccc(-c2ccc(CN3CCC(C[NH+](C)C)CC3)o2)cc1 ZINC000506861327 340202967 /nfs/dbraw/zinc/20/29/67/340202967.db2.gz LKRJETSJEPQZMM-UHFFFAOYSA-N 1 3 312.457 4.029 20 0 DIADHO CCc1cccnc1[C@@H](C)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000507485112 340222179 /nfs/dbraw/zinc/22/21/79/340222179.db2.gz KTMCVRVDJRUNTM-FGTMMUONSA-N 1 3 317.521 4.053 20 0 DIADHO CCc1cccnc1[C@@H](C)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000507485112 340222180 /nfs/dbraw/zinc/22/21/80/340222180.db2.gz KTMCVRVDJRUNTM-FGTMMUONSA-N 1 3 317.521 4.053 20 0 DIADHO Fc1ccc(F)c2c1CC[C@@H]2NCCCCC[NH+]1CCCCC1 ZINC000507821478 340233135 /nfs/dbraw/zinc/23/31/35/340233135.db2.gz PBDPDGTWZGBIFJ-SFHVURJKSA-N 1 3 322.443 4.198 20 0 DIADHO CCCN1CC[C@@H](C[NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000510122125 340289643 /nfs/dbraw/zinc/28/96/43/340289643.db2.gz SOXNWNCXDNINDC-IBGZPJMESA-N 1 3 322.496 4.140 20 0 DIADHO CCCN1CCC([N@H+](C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000510467118 340300345 /nfs/dbraw/zinc/30/03/45/340300345.db2.gz GPYFTOBLTJSSRO-UHFFFAOYSA-N 1 3 315.288 4.300 20 0 DIADHO CCCN1CCC([N@@H+](C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000510467118 340300346 /nfs/dbraw/zinc/30/03/46/340300346.db2.gz GPYFTOBLTJSSRO-UHFFFAOYSA-N 1 3 315.288 4.300 20 0 DIADHO C[NH+](C)CCC1CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000511508432 340329164 /nfs/dbraw/zinc/32/91/64/340329164.db2.gz XJPNXUAFRWZWCO-ONEGZZNKSA-N 1 3 306.881 4.017 20 0 DIADHO Cc1cccc2c1CC[C@@H]2N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512316489 340356538 /nfs/dbraw/zinc/35/65/38/340356538.db2.gz ZKKPTLDHDPZVAK-FIKGOQFSSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1cccc2c1CC[C@@H]2N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512316489 340356539 /nfs/dbraw/zinc/35/65/39/340356539.db2.gz ZKKPTLDHDPZVAK-FIKGOQFSSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000512316489 340356540 /nfs/dbraw/zinc/35/65/40/340356540.db2.gz ZKKPTLDHDPZVAK-FIKGOQFSSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1ccc2c(c1)[C@H](N[C@H](C)[C@@H]1CCC[N@@H+](C3CCC3)C1)CC2 ZINC000512317530 340356799 /nfs/dbraw/zinc/35/67/99/340356799.db2.gz CPZPGAMVEBNJFP-HGHGUNKESA-N 1 3 312.501 4.225 20 0 DIADHO Cc1ccc2c(c1)[C@H](N[C@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)CC2 ZINC000512317530 340356800 /nfs/dbraw/zinc/35/68/00/340356800.db2.gz CPZPGAMVEBNJFP-HGHGUNKESA-N 1 3 312.501 4.225 20 0 DIADHO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H]1CCCN(C3CCC3)C1)CC2 ZINC000512317530 340356801 /nfs/dbraw/zinc/35/68/01/340356801.db2.gz CPZPGAMVEBNJFP-HGHGUNKESA-N 1 3 312.501 4.225 20 0 DIADHO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)[C@H]1CCCN(C2CCC2)C1 ZINC000512334074 340357610 /nfs/dbraw/zinc/35/76/10/340357610.db2.gz ZIGZWMDTWRRKES-AVYPCKFXSA-N 1 3 316.464 4.056 20 0 DIADHO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C1CCN(CC(C)C)CC1 ZINC000513015539 340388486 /nfs/dbraw/zinc/38/84/86/340388486.db2.gz WZYPHEKAGRRMJG-FOWTUZBSSA-N 1 3 320.908 4.453 20 0 DIADHO CC[NH+](CC)Cc1cccc(CNCc2cc(C)ccc2C)c1 ZINC000513111007 340393758 /nfs/dbraw/zinc/39/37/58/340393758.db2.gz XAAROOSBTWKNRG-UHFFFAOYSA-N 1 3 310.485 4.435 20 0 DIADHO C[NH+](C)Cc1cccc(CN[C@@H]2CC(C)(C)c3ccccc32)c1 ZINC000177733584 340443100 /nfs/dbraw/zinc/44/31/00/340443100.db2.gz JKBUEFQINMGSRK-HXUWFJFHSA-N 1 3 308.469 4.260 20 0 DIADHO Cc1cccc([C@@H](C)[NH2+]CC2CCN(c3ccncc3)CC2)c1C ZINC000537935238 340791587 /nfs/dbraw/zinc/79/15/87/340791587.db2.gz BTVHTEMOVKTDNG-GOSISDBHSA-N 1 3 323.484 4.266 20 0 DIADHO Cc1cccc(CCC[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000542529543 341012323 /nfs/dbraw/zinc/01/23/23/341012323.db2.gz IYVRVQVQTRJONI-UYAOXDASSA-N 1 3 314.517 4.170 20 0 DIADHO Cc1cccc(CCC[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000542529541 341012370 /nfs/dbraw/zinc/01/23/70/341012370.db2.gz IYVRVQVQTRJONI-ICSRJNTNSA-N 1 3 314.517 4.170 20 0 DIADHO CC[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(Cl)s1 ZINC000542557139 341013261 /nfs/dbraw/zinc/01/32/61/341013261.db2.gz ZZUBMQVRCUKTES-STQMWFEESA-N 1 3 300.899 4.317 20 0 DIADHO CC[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(Cl)s1 ZINC000542557136 341013373 /nfs/dbraw/zinc/01/33/73/341013373.db2.gz ZZUBMQVRCUKTES-CHWSQXEVSA-N 1 3 300.899 4.317 20 0 DIADHO CC[NH+]1CCC(CCN[C@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000542662796 341016035 /nfs/dbraw/zinc/01/60/35/341016035.db2.gz LJQDEYDIWRSXSN-IBGZPJMESA-N 1 3 304.478 4.141 20 0 DIADHO C[N@@H+]1CCC[C@@H](CN[C@H](c2cc3ccccc3o2)C(C)(C)C)C1 ZINC000543707157 341054562 /nfs/dbraw/zinc/05/45/62/341054562.db2.gz BYJZGAHKVIXKLK-HNAYVOBHSA-N 1 3 314.473 4.451 20 0 DIADHO C[N@H+]1CCC[C@@H](CN[C@H](c2cc3ccccc3o2)C(C)(C)C)C1 ZINC000543707157 341054563 /nfs/dbraw/zinc/05/45/63/341054563.db2.gz BYJZGAHKVIXKLK-HNAYVOBHSA-N 1 3 314.473 4.451 20 0 DIADHO CC(C)[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc(F)c(F)c1 ZINC000543775009 341058088 /nfs/dbraw/zinc/05/80/88/341058088.db2.gz HDKVZBVIEDTXNL-DNVCBOLYSA-N 1 3 324.459 4.372 20 0 DIADHO CC(C)[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc(F)c(F)c1 ZINC000543775012 341058148 /nfs/dbraw/zinc/05/81/48/341058148.db2.gz HDKVZBVIEDTXNL-KXBFYZLASA-N 1 3 324.459 4.372 20 0 DIADHO C[C@@H](CCc1cccc(F)c1)[NH+]1CCC(N2CCCCC2)CC1 ZINC000543986309 341065207 /nfs/dbraw/zinc/06/52/07/341065207.db2.gz QBHNIOYQFGLTNC-KRWDZBQOSA-N 1 3 318.480 4.097 20 0 DIADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)cc1 ZINC000544374848 341078991 /nfs/dbraw/zinc/07/89/91/341078991.db2.gz IKURDXJCIKRURN-KURKYZTESA-N 1 3 318.505 4.041 20 0 DIADHO Cc1ccccc1C1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000544532092 341085094 /nfs/dbraw/zinc/08/50/94/341085094.db2.gz VRWCUTUHCMWMBM-LJQANCHMSA-N 1 3 300.490 4.049 20 0 DIADHO Cc1ccccc1C1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000544532092 341085095 /nfs/dbraw/zinc/08/50/95/341085095.db2.gz VRWCUTUHCMWMBM-LJQANCHMSA-N 1 3 300.490 4.049 20 0 DIADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(-c2ccccc2)s1 ZINC000544578318 341086861 /nfs/dbraw/zinc/08/68/61/341086861.db2.gz ZNYLXUROAACWQL-JKSUJKDBSA-N 1 3 314.498 4.408 20 0 DIADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2)s1 ZINC000544578318 341086862 /nfs/dbraw/zinc/08/68/62/341086862.db2.gz ZNYLXUROAACWQL-JKSUJKDBSA-N 1 3 314.498 4.408 20 0 DIADHO Cc1ccc2nccc(N3CCC(C[N@@H+](C)C(C)C)CC3)c2c1 ZINC000544814458 341094561 /nfs/dbraw/zinc/09/45/61/341094561.db2.gz ZQUQVZNIIVZYIC-UHFFFAOYSA-N 1 3 311.473 4.100 20 0 DIADHO Cc1ccc2nccc(N3CCC(C[N@H+](C)C(C)C)CC3)c2c1 ZINC000544814458 341094562 /nfs/dbraw/zinc/09/45/62/341094562.db2.gz ZQUQVZNIIVZYIC-UHFFFAOYSA-N 1 3 311.473 4.100 20 0 DIADHO CC[NH+](CC)CC1CCN(c2ccnc3ccc(C)cc32)CC1 ZINC000546189995 341156742 /nfs/dbraw/zinc/15/67/42/341156742.db2.gz UVRFUEXFQCMTMU-UHFFFAOYSA-N 1 3 311.473 4.101 20 0 DIADHO C[C@H]1CCCc2ccccc2[C@@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000547321657 341205614 /nfs/dbraw/zinc/20/56/14/341205614.db2.gz GBPPRJFLCPZHIK-HRAATJIYSA-N 1 3 312.501 4.164 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)C1 ZINC000564319772 341211276 /nfs/dbraw/zinc/21/12/76/341211276.db2.gz YUTARVFEIUWENL-AYBZRNKSSA-N 1 3 320.908 4.296 20 0 DIADHO Cc1c2cccc(Cl)c2sc1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000549764284 341302532 /nfs/dbraw/zinc/30/25/32/341302532.db2.gz PCXLHONQNBIYAR-WCQYABFASA-N 1 3 322.905 4.435 20 0 DIADHO Cc1c2cccc(Cl)c2sc1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000549764284 341302533 /nfs/dbraw/zinc/30/25/33/341302533.db2.gz PCXLHONQNBIYAR-WCQYABFASA-N 1 3 322.905 4.435 20 0 DIADHO Fc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000245736694 341312461 /nfs/dbraw/zinc/31/24/61/341312461.db2.gz QYPGBAMNWAUNRV-WKCHPHFGSA-N 1 3 324.443 4.111 20 0 DIADHO CCOc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551010302 341329144 /nfs/dbraw/zinc/32/91/44/341329144.db2.gz ZRXOXWKIQNTPGD-PZJWPPBQSA-N 1 3 324.468 4.010 20 0 DIADHO CCOc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551010302 341329145 /nfs/dbraw/zinc/32/91/45/341329145.db2.gz ZRXOXWKIQNTPGD-PZJWPPBQSA-N 1 3 324.468 4.010 20 0 DIADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(C2CC2)c1 ZINC000551063524 341330763 /nfs/dbraw/zinc/33/07/63/341330763.db2.gz SMDVDMXKVPONKO-OAHLLOKOSA-N 1 3 300.490 4.478 20 0 DIADHO C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)[C@H]1CCCN(C2CCC2)C1 ZINC000248409910 341376940 /nfs/dbraw/zinc/37/69/40/341376940.db2.gz XIBVETZKLCZBTH-UVFQYZLESA-N 1 3 316.464 4.056 20 0 DIADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)Cc1ccccc1 ZINC000248595358 341380726 /nfs/dbraw/zinc/38/07/26/341380726.db2.gz SOAFFUZRXIYMSS-BJLQDIEVSA-N 1 3 314.517 4.108 20 0 DIADHO C[C@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555168583 341476463 /nfs/dbraw/zinc/47/64/63/341476463.db2.gz NAVKPVQZLZWBSM-WBAXXEDZSA-N 1 3 300.490 4.077 20 0 DIADHO C[NH+](C)Cc1ccc(CN[C@@H]2CCSc3ccccc32)cc1 ZINC000171129099 341772161 /nfs/dbraw/zinc/77/21/61/341772161.db2.gz RJOLRSGSNCQYSO-GOSISDBHSA-N 1 3 312.482 4.075 20 0 DIADHO Cc1cc2c(cc1C)[C@@H](NCc1ccc(C[NH3+])cc1)CCS2 ZINC000580552023 341875620 /nfs/dbraw/zinc/87/56/20/341875620.db2.gz KDHUXDYEIJZOJE-SFHVURJKSA-N 1 3 312.482 4.089 20 0 DIADHO CC(C)[NH+]1CCC(N[C@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000180404938 519672950 /nfs/dbraw/zinc/67/29/50/519672950.db2.gz OCALOZMQCAQYBV-QGZVFWFLSA-N 1 3 323.484 4.272 20 0 DIADHO CC[NH+](CC)Cc1cccc(CNCc2ccsc2C)c1 ZINC000339191776 520754909 /nfs/dbraw/zinc/75/49/09/520754909.db2.gz ZVPPSBWEHKHPIT-UHFFFAOYSA-N 1 3 302.487 4.188 20 0 DIADHO C[C@@H](NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cccnc1 ZINC000264898270 525521068 /nfs/dbraw/zinc/52/10/68/525521068.db2.gz VGCXFVPZZFQMLI-QZTJIDSGSA-N 1 3 323.484 4.307 20 0 DIADHO C[C@@H](NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cccnc1 ZINC000264898270 525521077 /nfs/dbraw/zinc/52/10/77/525521077.db2.gz VGCXFVPZZFQMLI-QZTJIDSGSA-N 1 3 323.484 4.307 20 0 DIADHO COC1CCN(C2CC[NH+](CC[C@@H](C)CC(C)(C)C)CC2)CC1 ZINC001208663003 1035785587 /nfs/dbraw/zinc/78/55/87/1035785587.db2.gz GPJBKTCPKXLXSA-QGZVFWFLSA-N 1 3 324.553 4.024 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000314916520 1035930223 /nfs/dbraw/zinc/93/02/23/1035930223.db2.gz MLUXUGMOIVXOOP-YZGWKJHDSA-N 1 3 300.490 4.033 20 0 DIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccsc1 ZINC000398123898 1036243301 /nfs/dbraw/zinc/24/33/01/1036243301.db2.gz HSWQHDDKVNMQRG-GJYPPUQNSA-N 1 3 314.498 4.309 20 0 DIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccsc1 ZINC000398123898 1036243310 /nfs/dbraw/zinc/24/33/10/1036243310.db2.gz HSWQHDDKVNMQRG-GJYPPUQNSA-N 1 3 314.498 4.309 20 0 DIADHO C[C@@H]1C[C@H]1c1ccc(CNCCCCC[NH+]2CCCCC2)o1 ZINC000237459675 1036379862 /nfs/dbraw/zinc/37/98/62/1036379862.db2.gz VKKSRDORCAOWDQ-SJLPKXTDSA-N 1 3 304.478 4.149 20 0 DIADHO C[C@@H]1C[C@H]1c1ccc(CNCCCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000237459741 1036380707 /nfs/dbraw/zinc/38/07/07/1036380707.db2.gz NSMVTUSSRXAKLQ-SOLBZPMBSA-N 1 3 304.478 4.147 20 0 DIADHO C[C@@H]1C[C@H]1c1ccc(CNCCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000237459741 1036380725 /nfs/dbraw/zinc/38/07/25/1036380725.db2.gz NSMVTUSSRXAKLQ-SOLBZPMBSA-N 1 3 304.478 4.147 20 0 DIADHO C[C@H]1C[C@H]1c1ccc(CNCCCCC[NH+]2CCCCC2)o1 ZINC000237658963 1036394268 /nfs/dbraw/zinc/39/42/68/1036394268.db2.gz VKKSRDORCAOWDQ-FUHWJXTLSA-N 1 3 304.478 4.149 20 0 DIADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1)CN1CCCC1 ZINC001648832597 1036611298 /nfs/dbraw/zinc/61/12/98/1036611298.db2.gz CMSWLLUORDERJV-HLAWJBBLSA-N 1 3 314.517 4.424 20 0 DIADHO C[C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(Cl)cc2)CCN1 ZINC001210495793 1036741549 /nfs/dbraw/zinc/74/15/49/1036741549.db2.gz BVUQLSHKAWMDOJ-OAHLLOKOSA-N 1 3 314.860 4.191 20 0 DIADHO C[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(Cl)cc2)CCN1 ZINC001210495793 1036741567 /nfs/dbraw/zinc/74/15/67/1036741567.db2.gz BVUQLSHKAWMDOJ-OAHLLOKOSA-N 1 3 314.860 4.191 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CNCc1cc2ccccc2[nH]1 ZINC000683928108 1037116927 /nfs/dbraw/zinc/11/69/27/1037116927.db2.gz VOEKSZINKUWEGN-UHFFFAOYSA-N 1 3 321.468 4.300 20 0 DIADHO CSCC1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC000449109037 1037217052 /nfs/dbraw/zinc/21/70/52/1037217052.db2.gz WXMKDMMCVCSNMC-UHFFFAOYSA-N 1 3 324.578 4.152 20 0 DIADHO CC[C@H](CC(F)F)CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001167424232 1037226362 /nfs/dbraw/zinc/22/63/62/1037226362.db2.gz FDUZZPJIDIYLKQ-BBWFWOEESA-N 1 3 316.480 4.254 20 0 DIADHO CC[C@H](CC(F)F)CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001167424232 1037226382 /nfs/dbraw/zinc/22/63/82/1037226382.db2.gz FDUZZPJIDIYLKQ-BBWFWOEESA-N 1 3 316.480 4.254 20 0 DIADHO Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001167429132 1037244261 /nfs/dbraw/zinc/24/42/61/1037244261.db2.gz GVULMYQIGBNOLG-IBGZPJMESA-N 1 3 322.496 4.456 20 0 DIADHO Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001167429132 1037244269 /nfs/dbraw/zinc/24/42/69/1037244269.db2.gz GVULMYQIGBNOLG-IBGZPJMESA-N 1 3 322.496 4.456 20 0 DIADHO Cc1ccc2ccccc2c1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001167429132 1037244278 /nfs/dbraw/zinc/24/42/78/1037244278.db2.gz GVULMYQIGBNOLG-IBGZPJMESA-N 1 3 322.496 4.456 20 0 DIADHO C[C@H](CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccccc1 ZINC000604902874 1038460225 /nfs/dbraw/zinc/46/02/25/1038460225.db2.gz GKLKTWFFZFZKGC-UXHICEINSA-N 1 3 314.517 4.234 20 0 DIADHO C[C@H](CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)c1ccccc1 ZINC000604885063 1038463276 /nfs/dbraw/zinc/46/32/76/1038463276.db2.gz FFWWUABVLJJYNP-HSALFYBXSA-N 1 3 314.517 4.377 20 0 DIADHO C[C@H](CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)c1ccccc1 ZINC000604885063 1038463280 /nfs/dbraw/zinc/46/32/80/1038463280.db2.gz FFWWUABVLJJYNP-HSALFYBXSA-N 1 3 314.517 4.377 20 0 DIADHO CCc1cccc2cc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)N4C)oc21 ZINC000657376414 1038620812 /nfs/dbraw/zinc/62/08/12/1038620812.db2.gz GAFKTIIYKIAKHV-AYHJJNSGSA-N 1 3 312.457 4.100 20 0 DIADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(C(C)(C)C)s1)C2 ZINC000582426313 1038664242 /nfs/dbraw/zinc/66/42/42/1038664242.db2.gz JVTSMPCVSBIEMS-YIONKMFJSA-N 1 3 306.519 4.103 20 0 DIADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(C(C)(C)C)s1)C2 ZINC000582426313 1038664245 /nfs/dbraw/zinc/66/42/45/1038664245.db2.gz JVTSMPCVSBIEMS-YIONKMFJSA-N 1 3 306.519 4.103 20 0 DIADHO [NH3+][C@H]1C[C@H](N2CCC(Cc3ccccc3)CC2)c2ccccc21 ZINC000261618829 1039089077 /nfs/dbraw/zinc/08/90/77/1039089077.db2.gz BWTIBKQWHXCFSB-SFTDATJTSA-N 1 3 306.453 4.086 20 0 DIADHO C[C@@H]1C[C@H](N[C@H]2C[C@H]3CCC(C)(C)c4cccc2c43)CC[N@@H+]1C ZINC000539558569 1039288823 /nfs/dbraw/zinc/28/88/23/1039288823.db2.gz KOBOZIKTTJWHMK-NNFUDEMPSA-N 1 3 312.501 4.359 20 0 DIADHO C[C@@H]1C[C@H](N[C@H]2C[C@H]3CCC(C)(C)c4cccc2c43)CC[N@H+]1C ZINC000539558569 1039288826 /nfs/dbraw/zinc/28/88/26/1039288826.db2.gz KOBOZIKTTJWHMK-NNFUDEMPSA-N 1 3 312.501 4.359 20 0 DIADHO C[C@@H](N[C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccsc1 ZINC000669851361 1039394564 /nfs/dbraw/zinc/39/45/64/1039394564.db2.gz NBGVJLSEUVBEJV-HUUCEWRRSA-N 1 3 318.486 4.100 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@H](c1ccc(C)o1)C1CCCC1 ZINC000650756650 1039464063 /nfs/dbraw/zinc/46/40/63/1039464063.db2.gz HACVNBQSYLAJBU-FQEVSTJZSA-N 1 3 312.457 4.329 20 0 DIADHO CCSc1ccccc1[C@H](C)NCc1ccccc1C[NH2+]C ZINC000650757911 1039465276 /nfs/dbraw/zinc/46/52/76/1039465276.db2.gz DUKNBBKEFXBSCX-HNNXBMFYSA-N 1 3 314.498 4.369 20 0 DIADHO CC[C@@H](NCc1ccccc1C[NH2+]C)c1cccc(Cl)c1 ZINC000650759542 1039472168 /nfs/dbraw/zinc/47/21/68/1039472168.db2.gz LRJZRILPDDFEDE-GOSISDBHSA-N 1 3 302.849 4.300 20 0 DIADHO Cc1ccccc1CCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000541601902 1039716383 /nfs/dbraw/zinc/71/63/83/1039716383.db2.gz VWESNWHALOUMTI-AZUAARDMSA-N 1 3 314.517 4.170 20 0 DIADHO CCC[N@@H+]1CC[C@@H](CN[C@H]2CCCc3c(Cl)cccc32)C1 ZINC000541736435 1039735389 /nfs/dbraw/zinc/73/53/89/1039735389.db2.gz JLQDPDHQLKTWBV-KSSFIOAISA-N 1 3 306.881 4.039 20 0 DIADHO CCC[N@H+]1CC[C@@H](CN[C@H]2CCCc3c(Cl)cccc32)C1 ZINC000541736435 1039735405 /nfs/dbraw/zinc/73/54/05/1039735405.db2.gz JLQDPDHQLKTWBV-KSSFIOAISA-N 1 3 306.881 4.039 20 0 DIADHO CCC[NH+]1CCC(N[C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000204975016 1039975428 /nfs/dbraw/zinc/97/54/28/1039975428.db2.gz DGIQXKPXZIUNJR-LJQANCHMSA-N 1 3 311.473 4.009 20 0 DIADHO Cc1ccc(CN(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000685468001 1040066439 /nfs/dbraw/zinc/06/64/39/1040066439.db2.gz YTUOTXIWBOEGJS-UHFFFAOYSA-N 1 3 308.469 4.091 20 0 DIADHO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000309761978 1040092462 /nfs/dbraw/zinc/09/24/62/1040092462.db2.gz DYOBGEWIQHETCO-SJLPKXTDSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1ccc(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309761978 1040092482 /nfs/dbraw/zinc/09/24/82/1040092482.db2.gz DYOBGEWIQHETCO-SJLPKXTDSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1ccc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309761978 1040092501 /nfs/dbraw/zinc/09/25/01/1040092501.db2.gz DYOBGEWIQHETCO-SJLPKXTDSA-N 1 3 314.498 4.057 20 0 DIADHO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000309885439 1040100548 /nfs/dbraw/zinc/10/05/48/1040100548.db2.gz YVJCVHWPTQXCSY-YZGWKJHDSA-N 1 3 300.490 4.067 20 0 DIADHO C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000309967466 1040102563 /nfs/dbraw/zinc/10/25/63/1040102563.db2.gz LTDOGYFNQAYQBY-PXNSSMCTSA-N 1 3 300.490 4.067 20 0 DIADHO CC(C)Sc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000165352693 1040202969 /nfs/dbraw/zinc/20/29/69/1040202969.db2.gz XKMOJVSEIJLKGY-HLLBOEOZSA-N 1 3 306.519 4.320 20 0 DIADHO CC(C)Sc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000165352693 1040202981 /nfs/dbraw/zinc/20/29/81/1040202981.db2.gz XKMOJVSEIJLKGY-HLLBOEOZSA-N 1 3 306.519 4.320 20 0 DIADHO C[C@H](CC[NH2+][C@@H](C)c1cc2ccncc2s1)N1CCCCC1 ZINC000657974206 1040237134 /nfs/dbraw/zinc/23/71/34/1040237134.db2.gz ZDAZEZFJHDRKSQ-CABCVRRESA-N 1 3 317.502 4.211 20 0 DIADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)c1cc2ccncc2s1 ZINC000657989945 1040257379 /nfs/dbraw/zinc/25/73/79/1040257379.db2.gz NHZLIOSHNSBBCU-AWEZNQCLSA-N 1 3 317.502 4.069 20 0 DIADHO CCCC[C@@H](C)[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658163171 1040335121 /nfs/dbraw/zinc/33/51/21/1040335121.db2.gz HXOPJYQNGGJJNS-MSOLQXFVSA-N 1 3 317.521 4.098 20 0 DIADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(CC(C)C)cc2)[C@H](C)C1 ZINC001167686820 1040457969 /nfs/dbraw/zinc/45/79/69/1040457969.db2.gz ZGRAMIPWWIFFLM-XLIONFOSSA-N 1 3 302.506 4.047 20 0 DIADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(CC(C)C)cc2)[C@H](C)C1 ZINC001167686820 1040458004 /nfs/dbraw/zinc/45/80/04/1040458004.db2.gz ZGRAMIPWWIFFLM-XLIONFOSSA-N 1 3 302.506 4.047 20 0 DIADHO C[C@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000309753457 1040724955 /nfs/dbraw/zinc/72/49/55/1040724955.db2.gz WMRNPDMSBCLVKI-WMZOPIPTSA-N 1 3 314.498 4.311 20 0 DIADHO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000309753457 1040724962 /nfs/dbraw/zinc/72/49/62/1040724962.db2.gz WMRNPDMSBCLVKI-WMZOPIPTSA-N 1 3 314.498 4.311 20 0 DIADHO C[C@H](c1ccc(F)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613420903 1040936892 /nfs/dbraw/zinc/93/68/92/1040936892.db2.gz LVYSUMBXYQBOLR-QGZVFWFLSA-N 1 3 318.480 4.475 20 0 DIADHO C[C@@H]1C[C@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CS1 ZINC000414226645 1041025215 /nfs/dbraw/zinc/02/52/15/1041025215.db2.gz KDRVLRADTPMHID-ZBFHGGJFSA-N 1 3 312.567 4.149 20 0 DIADHO CC[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)CC(F)(F)F ZINC000414274251 1041069816 /nfs/dbraw/zinc/06/98/16/1041069816.db2.gz RLMBCHFZOHOCMO-CQSZACIVSA-N 1 3 320.443 4.352 20 0 DIADHO Cc1nc(-c2cc([C@H](C)N[C@@H]3CCC[C@@H]([NH3+])C3)cs2)cs1 ZINC000423394329 1041232026 /nfs/dbraw/zinc/23/20/26/1041232026.db2.gz RFNVBAJJGITBQS-ZLKJLUDKSA-N 1 3 321.515 4.101 20 0 DIADHO CCSc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624121709 1041352099 /nfs/dbraw/zinc/35/20/99/1041352099.db2.gz BKNSAFLIYJCMSE-JKSUJKDBSA-N 1 3 306.519 4.181 20 0 DIADHO Cc1cc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)ccc1F ZINC000924594348 1041356525 /nfs/dbraw/zinc/35/65/25/1041356525.db2.gz OHSWULRGXNIWQG-HNNXBMFYSA-N 1 3 300.421 4.047 20 0 DIADHO C[NH+](C)CC[C@H](NCc1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000584860218 1041693660 /nfs/dbraw/zinc/69/36/60/1041693660.db2.gz OYWCFEWUSWSYBY-HNNXBMFYSA-N 1 3 316.411 4.161 20 0 DIADHO CC1(C)[C@@H]2C[C@H]([NH2+]C3CCN(CC4CCCCC4)CC3)C[C@@H]21 ZINC001170731945 1041784310 /nfs/dbraw/zinc/78/43/10/1041784310.db2.gz USZSLDQSTCUJHT-REPLKXPHSA-N 1 3 304.522 4.055 20 0 DIADHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1cccnc1Cl ZINC000164621449 1042024747 /nfs/dbraw/zinc/02/47/47/1042024747.db2.gz JXMAOFXODQEXOC-OAHLLOKOSA-N 1 3 309.885 4.042 20 0 DIADHO CCC1([NH3+])CCN([C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000925756959 1042088358 /nfs/dbraw/zinc/08/83/58/1042088358.db2.gz CJVYBXGGWRBENF-RWMBFGLXSA-N 1 3 312.910 4.097 20 0 DIADHO CCC1([NH3+])CCN([C@@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000925756409 1042088990 /nfs/dbraw/zinc/08/89/90/1042088990.db2.gz LSKGQWLUSOMMCJ-INIZCTEOSA-N 1 3 309.457 4.013 20 0 DIADHO C[C@H](NC1CCC([NH+]2CCCCC2)CC1)c1ccncc1Cl ZINC000817579114 1042116011 /nfs/dbraw/zinc/11/60/11/1042116011.db2.gz UMYYPTOEVXATST-FHERZECASA-N 1 3 321.896 4.183 20 0 DIADHO C[C@@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cccnc1 ZINC000246558700 1042421818 /nfs/dbraw/zinc/42/18/18/1042421818.db2.gz KLDMJIPIOAMFSH-QZTJIDSGSA-N 1 3 323.484 4.164 20 0 DIADHO C[C@@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cccnc1 ZINC000246558700 1042421819 /nfs/dbraw/zinc/42/18/19/1042421819.db2.gz KLDMJIPIOAMFSH-QZTJIDSGSA-N 1 3 323.484 4.164 20 0 DIADHO [NH3+][C@@H]1C[C@H](NCCCCCOC2CCCCC2)c2ccccc21 ZINC000422702403 1042687821 /nfs/dbraw/zinc/68/78/21/1042687821.db2.gz FBYHEMUPVLREJE-UXHICEINSA-N 1 3 316.489 4.240 20 0 DIADHO C[C@H](N[C@@H](C)C1C[NH2+]C1)c1ccccc1-c1ccc(Cl)cc1 ZINC000422758471 1042689209 /nfs/dbraw/zinc/68/92/09/1042689209.db2.gz DWYNOVQKNBYZJI-KBPBESRZSA-N 1 3 314.860 4.266 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000422814694 1042690707 /nfs/dbraw/zinc/69/07/07/1042690707.db2.gz VYDQGNQBFFPQCS-WBAXXEDZSA-N 1 3 303.494 4.104 20 0 DIADHO CCc1cccc2c(CCN[C@H]3C[C@@H]([NH3+])c4ccccc43)c[nH]c21 ZINC000422907450 1042692174 /nfs/dbraw/zinc/69/21/74/1042692174.db2.gz BWDNABHKLVNKPD-UXHICEINSA-N 1 3 319.452 4.007 20 0 DIADHO c1ccc(CC[C@@H](N[C@@H]2CCC[NH2+]CC2)c2ccccc2)cc1 ZINC000422948207 1042694464 /nfs/dbraw/zinc/69/44/64/1042694464.db2.gz QXVHBZUJMKWXHJ-NHCUHLMSSA-N 1 3 308.469 4.092 20 0 DIADHO C[C@H](N[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21)C1C[NH2+]C1 ZINC000423006895 1042695152 /nfs/dbraw/zinc/69/51/52/1042695152.db2.gz WTLISZFTXJPSDI-KNXBSLHKSA-N 1 3 320.480 4.045 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1c2ccccc2CCC[C@H]1C ZINC000423049511 1042695448 /nfs/dbraw/zinc/69/54/48/1042695448.db2.gz JWUSOUVEXHEFET-ZJTDPSCFSA-N 1 3 323.484 4.213 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H](C(C)C)CC1 ZINC000423052200 1042697277 /nfs/dbraw/zinc/69/72/77/1042697277.db2.gz QBZWREBPWHSXIA-UAGQMJEPSA-N 1 3 303.494 4.104 20 0 DIADHO [NH3+][C@@H]1C[C@@H](NC[C@H]2CCCC[C@H]2C(F)(F)F)c2ccccc21 ZINC000423126732 1042697692 /nfs/dbraw/zinc/69/76/92/1042697692.db2.gz OQJHQFXRAXGMIY-RAEVTNRLSA-N 1 3 312.379 4.090 20 0 DIADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CC[C@@H](c3ccccc3F)C2)c2ccccc21 ZINC000423093986 1042697825 /nfs/dbraw/zinc/69/78/25/1042697825.db2.gz IVGGVCKRELVMOD-FQZPYLGXSA-N 1 3 310.416 4.196 20 0 DIADHO [NH3+][C@@H]1C[C@H](N[C@H]2CC[C@H](c3ccccc3F)C2)c2ccccc21 ZINC000423093988 1042698034 /nfs/dbraw/zinc/69/80/34/1042698034.db2.gz IVGGVCKRELVMOD-LHHVKLHASA-N 1 3 310.416 4.196 20 0 DIADHO Cc1ccc(C[NH2+][C@H](C)c2ccc(CN)nc2C)c2ccccc12 ZINC000423173285 1042699462 /nfs/dbraw/zinc/69/94/62/1042699462.db2.gz XUQFETBYWKCTQZ-OAHLLOKOSA-N 1 3 319.452 4.161 20 0 DIADHO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NCC[C@H](C)[NH3+] ZINC000423223636 1042702605 /nfs/dbraw/zinc/70/26/05/1042702605.db2.gz GYZJCXPVTZDXGL-QWRGUYRKSA-N 1 3 323.893 4.160 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423280873 1042703414 /nfs/dbraw/zinc/70/34/14/1042703414.db2.gz TTZLXLLOXKOKSO-MEBFFEOJSA-N 1 3 312.910 4.001 20 0 DIADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000423291493 1042704133 /nfs/dbraw/zinc/70/41/33/1042704133.db2.gz IMLSBXKDDKWGGZ-YVEFUNNKSA-N 1 3 316.445 4.172 20 0 DIADHO Cc1nc(C(C)C)sc1[C@H](C)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423290291 1042704186 /nfs/dbraw/zinc/70/41/86/1042704186.db2.gz CSPVWYVYPOSTGS-OLZOCXBDSA-N 1 3 317.502 4.445 20 0 DIADHO CC(C)[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1ccc(F)c(F)c1 ZINC000423290060 1042704217 /nfs/dbraw/zinc/70/42/17/1042704217.db2.gz CFWRVKAARCUFRF-BFUOFWGJSA-N 1 3 318.411 4.471 20 0 DIADHO c1cncc([C@@H]2CCC[C@@H]([NH2+]CCNC3CCCCCC3)C2)c1 ZINC000423266772 1042705519 /nfs/dbraw/zinc/70/55/19/1042705519.db2.gz CIOOSMSTGPKKGC-YLJYHZDGSA-N 1 3 315.505 4.010 20 0 DIADHO N[C@@H](C[NH2+][C@H](Cc1ccccc1Cl)c1cccs1)C1CC1 ZINC000423319733 1042705686 /nfs/dbraw/zinc/70/56/86/1042705686.db2.gz LXJSLOYTJFWEAF-JKSUJKDBSA-N 1 3 320.889 4.012 20 0 DIADHO CSc1ccc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1F ZINC000423389849 1042709618 /nfs/dbraw/zinc/70/96/18/1042709618.db2.gz ONHONYCBCNANHS-LBPRGKRZSA-N 1 3 316.445 4.002 20 0 DIADHO C[C@@H]1C[C@H](N[C@H]2CCCc3c4ccccc4sc32)CC[NH2+]1 ZINC000423380303 1042709716 /nfs/dbraw/zinc/70/97/16/1042709716.db2.gz NSROUOHWOUFILX-IOASZLSFSA-N 1 3 300.471 4.009 20 0 DIADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c4ccccc4sc32)CCN1 ZINC000423380303 1042709721 /nfs/dbraw/zinc/70/97/21/1042709721.db2.gz NSROUOHWOUFILX-IOASZLSFSA-N 1 3 300.471 4.009 20 0 DIADHO Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423402098 1042711105 /nfs/dbraw/zinc/71/11/05/1042711105.db2.gz WFFSKCUQCPYQHR-RCBQFDQVSA-N 1 3 315.486 4.039 20 0 DIADHO CC1(C)Cc2occc2[C@H](N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000423503637 1042715455 /nfs/dbraw/zinc/71/54/55/1042715455.db2.gz MYFSSFQDFAFLGO-ZWKOTPCHSA-N 1 3 312.457 4.363 20 0 DIADHO CC[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1F ZINC000423497410 1042716541 /nfs/dbraw/zinc/71/65/41/1042716541.db2.gz GWEUQFZGGYJMPP-RTBURBONSA-N 1 3 318.411 4.486 20 0 DIADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cc(F)cc(F)c1 ZINC000423494495 1042716893 /nfs/dbraw/zinc/71/68/93/1042716893.db2.gz APVINRBACIXKCQ-UGSOOPFHSA-N 1 3 304.384 4.096 20 0 DIADHO CC[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1OC ZINC000423514415 1042717255 /nfs/dbraw/zinc/71/72/55/1042717255.db2.gz WMMOJJRLMKHTGD-OALUTQOASA-N 1 3 312.457 4.216 20 0 DIADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1Cl ZINC000423511974 1042717674 /nfs/dbraw/zinc/71/76/74/1042717674.db2.gz UFNXJFAGGRFNTP-KDOFPFPSSA-N 1 3 302.849 4.471 20 0 DIADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1N ZINC000424377102 1042738769 /nfs/dbraw/zinc/73/87/69/1042738769.db2.gz QKVRUERLIXLPBA-DAXOMENPSA-N 1 3 315.486 4.039 20 0 DIADHO Fc1cccc2c1CC[C@@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000513868965 1042761290 /nfs/dbraw/zinc/76/12/90/1042761290.db2.gz DKINXCNRRIYZEG-NRFANRHFSA-N 1 3 324.443 4.199 20 0 DIADHO c1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C2CC2)cc1 ZINC001167958520 1042790077 /nfs/dbraw/zinc/79/00/77/1042790077.db2.gz GQLCLYVHWWGOHR-OTYNDTSQSA-N 1 3 310.485 4.133 20 0 DIADHO c1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CC2)cc1 ZINC001167958520 1042790081 /nfs/dbraw/zinc/79/00/81/1042790081.db2.gz GQLCLYVHWWGOHR-OTYNDTSQSA-N 1 3 310.485 4.133 20 0 DIADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCC[C@@H]3CCCC[C@@H]13)C2 ZINC001167968572 1042956863 /nfs/dbraw/zinc/95/68/63/1042956863.db2.gz RQHBLCBTIJDUTA-XPMJQDLXSA-N 1 3 316.533 4.340 20 0 DIADHO C[C@H](CC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167970932 1042962087 /nfs/dbraw/zinc/96/20/87/1042962087.db2.gz QHBNMVKWGJZXEP-MIJOPJBOSA-N 1 3 304.522 4.340 20 0 DIADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(C(F)(F)F)cc1 ZINC000519651470 1042997363 /nfs/dbraw/zinc/99/73/63/1042997363.db2.gz ARJZPMCIPVDNJI-LBPRGKRZSA-N 1 3 308.347 4.015 20 0 DIADHO Cc1ccc2c(c1)CC[C@@H]2NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000794827914 1043068211 /nfs/dbraw/zinc/06/82/11/1043068211.db2.gz MBGRMVYOVVQCOX-UGKGYDQZSA-N 1 3 320.480 4.094 20 0 DIADHO Cc1ccc2c(c1)CC[C@@H]2NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794827914 1043068223 /nfs/dbraw/zinc/06/82/23/1043068223.db2.gz MBGRMVYOVVQCOX-UGKGYDQZSA-N 1 3 320.480 4.094 20 0 DIADHO COc1cccc([C@@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000177190025 1043104139 /nfs/dbraw/zinc/10/41/39/1043104139.db2.gz ASYODUKQDXMFDW-QGZVFWFLSA-N 1 3 324.468 4.142 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2sc(C)nc2C)c1 ZINC000178737157 1043137615 /nfs/dbraw/zinc/13/76/15/1043137615.db2.gz JZQNNRLZASWWHZ-CYBMUJFWSA-N 1 3 317.502 4.062 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2sc(C)nc2C)c1 ZINC000178737157 1043137620 /nfs/dbraw/zinc/13/76/20/1043137620.db2.gz JZQNNRLZASWWHZ-CYBMUJFWSA-N 1 3 317.502 4.062 20 0 DIADHO Cc1cncc([C@H](C)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000184263586 1043181030 /nfs/dbraw/zinc/18/10/30/1043181030.db2.gz FBPNDAFHGSEVKN-SFHVURJKSA-N 1 3 323.484 4.227 20 0 DIADHO CCC[C@H](NCc1cccc(C[N@H+](C)CC)c1)c1cccnc1 ZINC000185352200 1043200870 /nfs/dbraw/zinc/20/08/70/1043200870.db2.gz XRFHQTMWDHJMIN-FQEVSTJZSA-N 1 3 311.473 4.164 20 0 DIADHO CCC[C@H](NCc1cccc(C[N@@H+](C)CC)c1)c1cccnc1 ZINC000185352200 1043200879 /nfs/dbraw/zinc/20/08/79/1043200879.db2.gz XRFHQTMWDHJMIN-FQEVSTJZSA-N 1 3 311.473 4.164 20 0 DIADHO CCC[N@@H+]1CC[C@H](CN[C@H](c2ccc(C)cc2)C2CCC2)C1 ZINC000427610540 1043243678 /nfs/dbraw/zinc/24/36/78/1043243678.db2.gz VHSPOAGBURPGIW-XLIONFOSSA-N 1 3 300.490 4.158 20 0 DIADHO CCC[N@H+]1CC[C@H](CN[C@H](c2ccc(C)cc2)C2CCC2)C1 ZINC000427610540 1043243683 /nfs/dbraw/zinc/24/36/83/1043243683.db2.gz VHSPOAGBURPGIW-XLIONFOSSA-N 1 3 300.490 4.158 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@H](c2ccc(C)cc2)C2CCC2)C1 ZINC000427610540 1043243691 /nfs/dbraw/zinc/24/36/91/1043243691.db2.gz VHSPOAGBURPGIW-XLIONFOSSA-N 1 3 300.490 4.158 20 0 DIADHO CC[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(F)c1 ZINC000187729066 1043249712 /nfs/dbraw/zinc/24/97/12/1043249712.db2.gz MLTLNCRDIABDIE-LJQANCHMSA-N 1 3 300.421 4.128 20 0 DIADHO CC(C)N1CCC([NH2+][C@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000925303651 1043410515 /nfs/dbraw/zinc/41/05/15/1043410515.db2.gz PJSNDPREJMBJBQ-LLVKDONJSA-N 1 3 320.424 4.290 20 0 DIADHO Cc1c2ccccc2oc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000925497311 1043423634 /nfs/dbraw/zinc/42/36/34/1043423634.db2.gz GWEZEJMCNIICRO-GOSISDBHSA-N 1 3 308.425 4.311 20 0 DIADHO C[C@@H]1C[C@H](N[C@H]2CC(C)(C)Sc3ccccc32)CC[N@@H+]1C ZINC000872040694 1043431177 /nfs/dbraw/zinc/43/11/77/1043431177.db2.gz ZSWYNCLTJVBRQC-FMKPAKJESA-N 1 3 304.503 4.074 20 0 DIADHO C[C@@H]1C[C@H](N[C@H]2CC(C)(C)Sc3ccccc32)CC[N@H+]1C ZINC000872040694 1043431182 /nfs/dbraw/zinc/43/11/82/1043431182.db2.gz ZSWYNCLTJVBRQC-FMKPAKJESA-N 1 3 304.503 4.074 20 0 DIADHO CCc1cnccc1[C@H](C)N[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925685600 1043455147 /nfs/dbraw/zinc/45/51/47/1043455147.db2.gz NSWCGAVJYAXLTJ-HOTGVXAUSA-N 1 3 311.473 4.117 20 0 DIADHO Cc1ccc([C@@H](NC[C@H]2C[NH2+]CCC2(F)F)C2CCCC2)cc1 ZINC000925775230 1043468961 /nfs/dbraw/zinc/46/89/61/1043468961.db2.gz DTJDAOIPHHFQKV-MSOLQXFVSA-N 1 3 322.443 4.061 20 0 DIADHO Cc1ccc([C@H](NC[C@H]2C[NH2+]CCC2(F)F)C2CCCC2)cc1 ZINC000925775234 1043470065 /nfs/dbraw/zinc/47/00/65/1043470065.db2.gz DTJDAOIPHHFQKV-QZTJIDSGSA-N 1 3 322.443 4.061 20 0 DIADHO CCC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000443097874 1043493279 /nfs/dbraw/zinc/49/32/79/1043493279.db2.gz ZWZIVPKVLLHKTE-BQFCYCMXSA-N 1 3 324.534 4.068 20 0 DIADHO CCC(CC)(C[NH2+][C@@H]1C[C@@H](N)c2ccccc21)C(F)(F)F ZINC000873247209 1043528270 /nfs/dbraw/zinc/52/82/70/1043528270.db2.gz JLZXCSAJHBVWRL-ZIAGYGMSSA-N 1 3 300.368 4.090 20 0 DIADHO C[C@@H]([NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1)c1ccccn1 ZINC001168017076 1043553252 /nfs/dbraw/zinc/55/32/52/1043553252.db2.gz WVBVYRMJTXFICE-OKZBNKHCSA-N 1 3 323.484 4.174 20 0 DIADHO CC(C)Cc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000314675346 1043558364 /nfs/dbraw/zinc/55/83/64/1043558364.db2.gz JSMKKWYWWRSWQM-WMZOPIPTSA-N 1 3 300.490 4.020 20 0 DIADHO CC(C)Cc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000314675346 1043558371 /nfs/dbraw/zinc/55/83/71/1043558371.db2.gz JSMKKWYWWRSWQM-WMZOPIPTSA-N 1 3 300.490 4.020 20 0 DIADHO CN1CCCC[C@@H]1CC[N@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000353645545 1043627344 /nfs/dbraw/zinc/62/73/44/1043627344.db2.gz HDJZNLNJQMRVEJ-OAQYLSRUSA-N 1 3 323.484 4.055 20 0 DIADHO CN1CCCC[C@@H]1CC[N@@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000353645545 1043627354 /nfs/dbraw/zinc/62/73/54/1043627354.db2.gz HDJZNLNJQMRVEJ-OAQYLSRUSA-N 1 3 323.484 4.055 20 0 DIADHO c1cc2cc(CN[C@@H]3CC[NH2+][C@H](c4ccccc4)C3)ccc2o1 ZINC000665237595 1043642981 /nfs/dbraw/zinc/64/29/81/1043642981.db2.gz FHJJVZNXOGOGEW-MOPGFXCFSA-N 1 3 306.409 4.016 20 0 DIADHO C[C@H]1C[C@@H](CF)N(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168039247 1043852844 /nfs/dbraw/zinc/85/28/44/1043852844.db2.gz CMUPLSWZGFPHCP-XLSPSMHOSA-N 1 3 318.480 4.108 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@H](C)c2ccc(Cl)cc2)C1 ZINC000474626389 1043858677 /nfs/dbraw/zinc/85/86/77/1043858677.db2.gz FBUGONHNCLPROP-ARFHVFGLSA-N 1 3 308.897 4.154 20 0 DIADHO C[NH+](C)CC[C@H](NC1CCC(=C2CCC2)CC1)c1cccnc1 ZINC000896717919 1043992807 /nfs/dbraw/zinc/99/28/07/1043992807.db2.gz YGJJZVFWCUTTBO-FQEVSTJZSA-N 1 3 313.489 4.087 20 0 DIADHO CCC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000358054979 1044012220 /nfs/dbraw/zinc/01/22/20/1044012220.db2.gz BIRHGJALKYCUAR-BJLQDIEVSA-N 1 3 318.505 4.007 20 0 DIADHO CC(C)[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cccnc1 ZINC000359280036 1044150008 /nfs/dbraw/zinc/15/00/08/1044150008.db2.gz VVQHSUUZICQKIY-OAQYLSRUSA-N 1 3 323.484 4.164 20 0 DIADHO CC[C@@H]([NH2+]CC[C@@H](C)N1CCCCC1)c1cccc(OC)c1 ZINC000346872286 1044166910 /nfs/dbraw/zinc/16/69/10/1044166910.db2.gz XJTNNDDWDXSYDG-VQIMIIECSA-N 1 3 304.478 4.000 20 0 DIADHO Cc1sccc1CNCc1ccccc1C[N@@H+](C)C(C)C ZINC000293680044 1044313089 /nfs/dbraw/zinc/31/30/89/1044313089.db2.gz AJCKRHQRXBKJLN-UHFFFAOYSA-N 1 3 302.487 4.187 20 0 DIADHO Cc1sccc1CNCc1ccccc1C[N@H+](C)C(C)C ZINC000293680044 1044313098 /nfs/dbraw/zinc/31/30/98/1044313098.db2.gz AJCKRHQRXBKJLN-UHFFFAOYSA-N 1 3 302.487 4.187 20 0 DIADHO CC(C)C[C@H](CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000564084571 1044338641 /nfs/dbraw/zinc/33/86/41/1044338641.db2.gz PJWMYPJYBMLSSD-WRURNZQNSA-N 1 3 300.490 4.031 20 0 DIADHO Cc1cscc1C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000565744578 1044455442 /nfs/dbraw/zinc/45/54/42/1044455442.db2.gz WYHLGICAXSCJCJ-WMZOPIPTSA-N 1 3 314.498 4.057 20 0 DIADHO CC(C)Oc1cccc([C@@H](C)[NH2+]CCCN2CCCCC2)c1 ZINC000444616755 1044575778 /nfs/dbraw/zinc/57/57/78/1044575778.db2.gz DRZUIEXPJAVVAJ-QGZVFWFLSA-N 1 3 304.478 4.000 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000573950981 1044934789 /nfs/dbraw/zinc/93/47/89/1044934789.db2.gz HHONJGNHPHJLFD-IPELMVKDSA-N 1 3 323.484 4.226 20 0 DIADHO C[N@H+](C/C=C\c1ccccc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000525268840 1045026827 /nfs/dbraw/zinc/02/68/27/1045026827.db2.gz BOHVTFCHTUCRAC-NGHDKMLMSA-N 1 3 320.480 4.154 20 0 DIADHO C[N@@H+](C/C=C\c1ccccc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000525268840 1045026839 /nfs/dbraw/zinc/02/68/39/1045026839.db2.gz BOHVTFCHTUCRAC-NGHDKMLMSA-N 1 3 320.480 4.154 20 0 DIADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cc3ccccc3s2)C1 ZINC000446745818 1045027921 /nfs/dbraw/zinc/02/79/21/1045027921.db2.gz QODODCCLVLIPED-GJZGRUSLSA-N 1 3 302.487 4.284 20 0 DIADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2cc3ccccc3s2)C1 ZINC000446745818 1045027934 /nfs/dbraw/zinc/02/79/34/1045027934.db2.gz QODODCCLVLIPED-GJZGRUSLSA-N 1 3 302.487 4.284 20 0 DIADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2cc3ccccc3s2)C1 ZINC000446745818 1045027946 /nfs/dbraw/zinc/02/79/46/1045027946.db2.gz QODODCCLVLIPED-GJZGRUSLSA-N 1 3 302.487 4.284 20 0 DIADHO Cc1ccc([C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C2CCCC2)cc1 ZINC000446748891 1045029115 /nfs/dbraw/zinc/02/91/15/1045029115.db2.gz VBEXYJOQTGGNMO-QHAWAJNXSA-N 1 3 312.501 4.443 20 0 DIADHO Cc1ccc([C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CCCC2)cc1 ZINC000446748891 1045029126 /nfs/dbraw/zinc/02/91/26/1045029126.db2.gz VBEXYJOQTGGNMO-QHAWAJNXSA-N 1 3 312.501 4.443 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cc2ccccc2s1 ZINC000446938535 1045072152 /nfs/dbraw/zinc/07/21/52/1045072152.db2.gz WUBYVEHCFLZYLW-IMJJTQAJSA-N 1 3 302.487 4.425 20 0 DIADHO C[N@@H+]1CC[C@@H](NC2(c3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000576772425 1045078182 /nfs/dbraw/zinc/07/81/82/1045078182.db2.gz URBNDBDPMYQKBW-UXHICEINSA-N 1 3 306.453 4.101 20 0 DIADHO C[N@H+]1CC[C@@H](NC2(c3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000576772425 1045078193 /nfs/dbraw/zinc/07/81/93/1045078193.db2.gz URBNDBDPMYQKBW-UXHICEINSA-N 1 3 306.453 4.101 20 0 DIADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1csc2ccccc12 ZINC000924648573 1045187643 /nfs/dbraw/zinc/18/76/43/1045187643.db2.gz LTJVKZRUEFFTGF-UONOGXRCSA-N 1 3 300.471 4.036 20 0 DIADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1csc2ccccc12 ZINC000924648573 1045187647 /nfs/dbraw/zinc/18/76/47/1045187647.db2.gz LTJVKZRUEFFTGF-UONOGXRCSA-N 1 3 300.471 4.036 20 0 DIADHO COc1cccc([C@@H](C)N[C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924722110 1045195508 /nfs/dbraw/zinc/19/55/08/1045195508.db2.gz FVWUXBZDRHQBOD-JKSUJKDBSA-N 1 3 312.457 4.169 20 0 DIADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3ccccc3)C2)s1 ZINC000578401073 1045240748 /nfs/dbraw/zinc/24/07/48/1045240748.db2.gz ZKLLEHACZBXPCF-GOSISDBHSA-N 1 3 314.498 4.010 20 0 DIADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3ccccc3)C2)s1 ZINC000578401073 1045240752 /nfs/dbraw/zinc/24/07/52/1045240752.db2.gz ZKLLEHACZBXPCF-GOSISDBHSA-N 1 3 314.498 4.010 20 0 DIADHO Fc1cc2c(cc1Cl)[C@@H]([NH2+]C1CC(N3CCCCC3)C1)CC2 ZINC000527893181 1045273730 /nfs/dbraw/zinc/27/37/30/1045273730.db2.gz IIHGJXNXKMWVNX-JRSKDTKFSA-N 1 3 322.855 4.073 20 0 DIADHO CC(C)CN1CCC([NH2+][C@H](C)c2cccc(C3CC3)c2)CC1 ZINC000579265220 1045303649 /nfs/dbraw/zinc/30/36/49/1045303649.db2.gz ZYGDBRBADCDKEW-MRXNPFEDSA-N 1 3 300.490 4.335 20 0 DIADHO CSCCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449156801 1045353209 /nfs/dbraw/zinc/35/32/09/1045353209.db2.gz FGDPGDGECPLLTB-UHFFFAOYSA-N 1 3 300.556 4.008 20 0 DIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CCCSC2)CC1 ZINC000449188947 1045357108 /nfs/dbraw/zinc/35/71/08/1045357108.db2.gz SUVYOIONQUPNGK-INIZCTEOSA-N 1 3 312.567 4.151 20 0 DIADHO C[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)c1cc(F)cc(F)c1 ZINC000449181351 1045359449 /nfs/dbraw/zinc/35/94/49/1045359449.db2.gz GVHFLWFWAQXXHO-AWEZNQCLSA-N 1 3 322.443 4.065 20 0 DIADHO C[C@@H](CNC1CC[NH+](C2CCCC2)CC1)c1cc(F)cc(F)c1 ZINC000449181351 1045359452 /nfs/dbraw/zinc/35/94/52/1045359452.db2.gz GVHFLWFWAQXXHO-AWEZNQCLSA-N 1 3 322.443 4.065 20 0 DIADHO CCOC(C)(C)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449263162 1045372103 /nfs/dbraw/zinc/37/21/03/1045372103.db2.gz HDYUXIUVOTUIST-UHFFFAOYSA-N 1 3 312.542 4.070 20 0 DIADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3CCCC3(F)F)CC2)C1 ZINC000449500515 1045403285 /nfs/dbraw/zinc/40/32/85/1045403285.db2.gz UZGNEVCCXJVQPS-HLLBOEOZSA-N 1 3 314.464 4.055 20 0 DIADHO C[C@H]([NH2+]CC/C=C\c1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000450729065 1045555528 /nfs/dbraw/zinc/55/55/28/1045555528.db2.gz QZVBWZXESBVYED-GCSNRRRASA-N 1 3 312.501 4.333 20 0 DIADHO CC[C@@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)c1cc(C)ccc1C ZINC000530225297 1045621879 /nfs/dbraw/zinc/62/18/79/1045621879.db2.gz VIWYMDNGEAZQSS-OXJNMPFZSA-N 1 3 311.473 4.267 20 0 DIADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1cc2cccc(F)c2o1 ZINC000530394400 1045656609 /nfs/dbraw/zinc/65/66/09/1045656609.db2.gz JFFLIDCRWICHKP-DZGCQCFKSA-N 1 3 304.409 4.097 20 0 DIADHO CC(C)CCO[C@H]1CC[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000629531166 1045676389 /nfs/dbraw/zinc/67/63/89/1045676389.db2.gz CBIAUJQEYRRSQB-SMOSDQRPSA-N 1 3 316.489 4.095 20 0 DIADHO COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1C ZINC000753656323 1045784162 /nfs/dbraw/zinc/78/41/62/1045784162.db2.gz ZZCOVEDDJBWJCE-QZTJIDSGSA-N 1 3 318.505 4.083 20 0 DIADHO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cccc3ccccc32)C1 ZINC000531340251 1045828686 /nfs/dbraw/zinc/82/86/86/1045828686.db2.gz DSTYKYSQQLTPPX-SFHVURJKSA-N 1 3 308.469 4.004 20 0 DIADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cccc3ccccc32)C1 ZINC000531340251 1045828704 /nfs/dbraw/zinc/82/87/04/1045828704.db2.gz DSTYKYSQQLTPPX-SFHVURJKSA-N 1 3 308.469 4.004 20 0 DIADHO CC(C)[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CS1 ZINC000754125260 1045850547 /nfs/dbraw/zinc/85/05/47/1045850547.db2.gz WXTLPKLEGOUVSF-MOPGFXCFSA-N 1 3 324.578 4.151 20 0 DIADHO CC(C)[C@@H]1C[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)CS1 ZINC000754125260 1045850558 /nfs/dbraw/zinc/85/05/58/1045850558.db2.gz WXTLPKLEGOUVSF-MOPGFXCFSA-N 1 3 324.578 4.151 20 0 DIADHO CC(C)[C@@H]1C[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CS1 ZINC000754125265 1045850668 /nfs/dbraw/zinc/85/06/68/1045850668.db2.gz WXTLPKLEGOUVSF-OALUTQOASA-N 1 3 324.578 4.151 20 0 DIADHO CC(C)[C@@H]1C[C@H](NC2CC[NH+](CC3CCCCC3)CC2)CS1 ZINC000754125265 1045850679 /nfs/dbraw/zinc/85/06/79/1045850679.db2.gz WXTLPKLEGOUVSF-OALUTQOASA-N 1 3 324.578 4.151 20 0 DIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CCCc2ncccc21 ZINC000631568561 1045871417 /nfs/dbraw/zinc/87/14/17/1045871417.db2.gz DXPORVVQXZIETE-NRFANRHFSA-N 1 3 323.484 4.089 20 0 DIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CCCc2ncccc21 ZINC000631568561 1045871425 /nfs/dbraw/zinc/87/14/25/1045871425.db2.gz DXPORVVQXZIETE-NRFANRHFSA-N 1 3 323.484 4.089 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCCc2ncccc21 ZINC000631568115 1045872030 /nfs/dbraw/zinc/87/20/30/1045872030.db2.gz QHODODHAAFQUPQ-NRFANRHFSA-N 1 3 323.484 4.091 20 0 DIADHO C[C@H](CCc1ccco1)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000531692237 1045893762 /nfs/dbraw/zinc/89/37/62/1045893762.db2.gz JLBQXFNXKJCJCX-LMMKCTJWSA-N 1 3 318.505 4.233 20 0 DIADHO CCCCCOc1ccc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000531716356 1045906339 /nfs/dbraw/zinc/90/63/39/1045906339.db2.gz RVSAQPOHPJNEMZ-ZWKOTPCHSA-N 1 3 318.505 4.248 20 0 DIADHO CCCCCOc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000531716356 1045906347 /nfs/dbraw/zinc/90/63/47/1045906347.db2.gz RVSAQPOHPJNEMZ-ZWKOTPCHSA-N 1 3 318.505 4.248 20 0 DIADHO C[C@H]1CC[C@H](NC2CC[NH+](C3CCC3)CC2)c2sccc21 ZINC000453082679 1045929305 /nfs/dbraw/zinc/92/93/05/1045929305.db2.gz MEGMNDCLBTZYOE-GUYCJALGSA-N 1 3 304.503 4.293 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000532214875 1046116533 /nfs/dbraw/zinc/11/65/33/1046116533.db2.gz YWEQIAUONJLJHY-KDOFPFPSSA-N 1 3 306.881 4.037 20 0 DIADHO Cc1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C2CC2)cc1 ZINC000903066790 1046152191 /nfs/dbraw/zinc/15/21/91/1046152191.db2.gz LOYMYPNLIDVECM-VCYXJBJXSA-N 1 3 310.485 4.194 20 0 DIADHO Cc1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C2CC2)cc1 ZINC000903066790 1046152201 /nfs/dbraw/zinc/15/22/01/1046152201.db2.gz LOYMYPNLIDVECM-VCYXJBJXSA-N 1 3 310.485 4.194 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2ccc(OCC)cc2C)CC1 ZINC001138436361 1046180461 /nfs/dbraw/zinc/18/04/61/1046180461.db2.gz FDWIRBYYXNDRMH-UHFFFAOYSA-N 1 3 318.505 4.090 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2ccc(OCC)cc2C)CC1 ZINC001138436361 1046180469 /nfs/dbraw/zinc/18/04/69/1046180469.db2.gz FDWIRBYYXNDRMH-UHFFFAOYSA-N 1 3 318.505 4.090 20 0 DIADHO CCC(CC)[N@@H+]1CC[C@H](N[C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC001168167417 1046232024 /nfs/dbraw/zinc/23/20/24/1046232024.db2.gz OTDOCBHYYQHZID-YOEHRIQHSA-N 1 3 308.897 4.124 20 0 DIADHO CCC(CC)[N@H+]1CC[C@H](N[C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC001168167417 1046232037 /nfs/dbraw/zinc/23/20/37/1046232037.db2.gz OTDOCBHYYQHZID-YOEHRIQHSA-N 1 3 308.897 4.124 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2cccc(OC(C)C)c2)CC1 ZINC001138987635 1046348361 /nfs/dbraw/zinc/34/83/61/1046348361.db2.gz WIDDZWJFZKMFIM-UHFFFAOYSA-N 1 3 318.505 4.170 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2cccc(OC(C)C)c2)CC1 ZINC001138987635 1046348364 /nfs/dbraw/zinc/34/83/64/1046348364.db2.gz WIDDZWJFZKMFIM-UHFFFAOYSA-N 1 3 318.505 4.170 20 0 DIADHO C[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccnc1Cl ZINC000246944548 1046443118 /nfs/dbraw/zinc/44/31/18/1046443118.db2.gz HUJPGXWVINHVOE-OWCLPIDISA-N 1 3 323.912 4.144 20 0 DIADHO C[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccnc1Cl ZINC000246944548 1046443125 /nfs/dbraw/zinc/44/31/25/1046443125.db2.gz HUJPGXWVINHVOE-OWCLPIDISA-N 1 3 323.912 4.144 20 0 DIADHO CCC(CC)[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000677237879 1046476835 /nfs/dbraw/zinc/47/68/35/1046476835.db2.gz PDSXHBJFSHMUHL-JZXOWHBKSA-N 1 3 306.519 4.442 20 0 DIADHO CCC(CC)[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000677237879 1046476842 /nfs/dbraw/zinc/47/68/42/1046476842.db2.gz PDSXHBJFSHMUHL-JZXOWHBKSA-N 1 3 306.519 4.442 20 0 DIADHO Cc1ccccc1[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000677241257 1046477216 /nfs/dbraw/zinc/47/72/16/1046477216.db2.gz OOVLEOOBXURJPB-AOIWGVFYSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccccc1[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000677241257 1046477223 /nfs/dbraw/zinc/47/72/23/1046477223.db2.gz OOVLEOOBXURJPB-AOIWGVFYSA-N 1 3 300.490 4.299 20 0 DIADHO CCC[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccccn1 ZINC000195139232 1046591275 /nfs/dbraw/zinc/59/12/75/1046591275.db2.gz BKKWRVHDXUVEQO-WOJBJXKFSA-N 1 3 323.484 4.035 20 0 DIADHO Cc1ccc([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)c(C)n1 ZINC000678411476 1046630376 /nfs/dbraw/zinc/63/03/76/1046630376.db2.gz LYAYSTYBRIXFCT-KRWDZBQOSA-N 1 3 323.484 4.145 20 0 DIADHO CCN1CCC[C@H](C[NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000678499869 1046650442 /nfs/dbraw/zinc/65/04/42/1046650442.db2.gz QJCKHDZAKICPBY-LJQANCHMSA-N 1 3 322.496 4.140 20 0 DIADHO [NH3+]CCC[C@@H](N[C@@H]1CCc2c1cc(F)cc2F)c1ccccc1 ZINC000643543801 1046671251 /nfs/dbraw/zinc/67/12/51/1046671251.db2.gz XTNLULNQCNUSSJ-RTBURBONSA-N 1 3 316.395 4.022 20 0 DIADHO Clc1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CCNC4(CCC4)C3)C2)cc1 ZINC000643547808 1046672708 /nfs/dbraw/zinc/67/27/08/1046672708.db2.gz JFEVCBPEINDISD-KBAYOESNSA-N 1 3 318.892 4.240 20 0 DIADHO CC[NH+](CC)CCC[C@@H](C)NCc1nc(C(C)(C)C)cs1 ZINC000094965344 1046695931 /nfs/dbraw/zinc/69/59/31/1046695931.db2.gz MKVWHSZXTCEQJH-CQSZACIVSA-N 1 3 311.539 4.041 20 0 DIADHO Cc1cc(C)c([C@H](C)N2CC[C@@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000533425951 1046719517 /nfs/dbraw/zinc/71/95/17/1046719517.db2.gz ULILGJMEJOZVMI-OALUTQOASA-N 1 3 300.490 4.091 20 0 DIADHO Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@@H](CN3CCCC3)C2)c(C)c1 ZINC000533425951 1046719532 /nfs/dbraw/zinc/71/95/32/1046719532.db2.gz ULILGJMEJOZVMI-OALUTQOASA-N 1 3 300.490 4.091 20 0 DIADHO Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H](CN3CCCC3)C2)c(C)c1 ZINC000533425951 1046719540 /nfs/dbraw/zinc/71/95/40/1046719540.db2.gz ULILGJMEJOZVMI-OALUTQOASA-N 1 3 300.490 4.091 20 0 DIADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1cccc(C(F)(F)F)c1 ZINC000678997714 1046751965 /nfs/dbraw/zinc/75/19/65/1046751965.db2.gz ISPPMXBIWXMDEX-CJNGLKHVSA-N 1 3 314.395 4.230 20 0 DIADHO COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2C)cc1CN1CCCCC1 ZINC000797129536 1046793832 /nfs/dbraw/zinc/79/38/32/1046793832.db2.gz MNPMOFVAASFERI-GJYPPUQNSA-N 1 3 316.489 4.130 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@H]2CCCSc3ccc(Cl)cc32)C1 ZINC000247054080 1046825185 /nfs/dbraw/zinc/82/51/85/1046825185.db2.gz NLQNRWYWVXJVHQ-CJNGLKHVSA-N 1 3 324.921 4.198 20 0 DIADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)c1ccncc1 ZINC000290017030 1046863647 /nfs/dbraw/zinc/86/36/47/1046863647.db2.gz CAQRHZPCIVKQNP-QUCCMNQESA-N 1 3 323.484 4.035 20 0 DIADHO C[C@H](c1ccco1)N(C)C/C=C/C[N@H+](C)[C@H](C)c1ccco1 ZINC000249842991 1046864785 /nfs/dbraw/zinc/86/47/85/1046864785.db2.gz YXWYPCNKAGUWMS-DOOVEFGSSA-N 1 3 302.418 4.115 20 0 DIADHO C[C@H](c1ccco1)N(C)C/C=C/C[N@@H+](C)[C@H](C)c1ccco1 ZINC000249842991 1046864795 /nfs/dbraw/zinc/86/47/95/1046864795.db2.gz YXWYPCNKAGUWMS-DOOVEFGSSA-N 1 3 302.418 4.115 20 0 DIADHO Cc1ccc([C@@H](C)C[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000152021177 1046903794 /nfs/dbraw/zinc/90/37/94/1046903794.db2.gz PAGDXGPFFZTZME-KRWDZBQOSA-N 1 3 300.490 4.095 20 0 DIADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000093515386 1046936432 /nfs/dbraw/zinc/93/64/32/1046936432.db2.gz XJNVSMNMZCENRO-APIJFGDWSA-N 1 3 306.416 4.008 20 0 DIADHO Cc1ccccc1C[NH+]1CCC(N[C@H](C)c2cccs2)CC1 ZINC000162142967 1046944959 /nfs/dbraw/zinc/94/49/59/1046944959.db2.gz RBXHAPRGMSSLMU-MRXNPFEDSA-N 1 3 314.498 4.372 20 0 DIADHO Cc1ccccc1C[NH+]1CCC(N[C@@H](C)c2cccs2)CC1 ZINC000162142843 1046945537 /nfs/dbraw/zinc/94/55/37/1046945537.db2.gz RBXHAPRGMSSLMU-INIZCTEOSA-N 1 3 314.498 4.372 20 0 DIADHO CN1CCC[C@H]1CC[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC001168274274 1046972815 /nfs/dbraw/zinc/97/28/15/1046972815.db2.gz CAWVGDHBOIXTGO-FCHUYYIVSA-N 1 3 320.480 4.270 20 0 DIADHO CN1CCC[C@H]1CC[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC001168274274 1046972820 /nfs/dbraw/zinc/97/28/20/1046972820.db2.gz CAWVGDHBOIXTGO-FCHUYYIVSA-N 1 3 320.480 4.270 20 0 DIADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000321664380 1047011503 /nfs/dbraw/zinc/01/15/03/1047011503.db2.gz ZFRNUHDEJXTZPT-ROUUACIJSA-N 1 3 308.469 4.346 20 0 DIADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000321664380 1047011518 /nfs/dbraw/zinc/01/15/18/1047011518.db2.gz ZFRNUHDEJXTZPT-ROUUACIJSA-N 1 3 308.469 4.346 20 0 DIADHO CCSc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCN(CC)C1 ZINC000121822835 1047118209 /nfs/dbraw/zinc/11/82/09/1047118209.db2.gz SUGNKSMQPSFVOY-JKSUJKDBSA-N 1 3 306.519 4.181 20 0 DIADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)C1 ZINC001116288075 1047127447 /nfs/dbraw/zinc/12/74/47/1047127447.db2.gz BZSAMJHBICTFRA-HIFRSBDPSA-N 1 3 323.550 4.132 20 0 DIADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@H](c2ccccc2)C2CC2)C1 ZINC000537014110 1047131935 /nfs/dbraw/zinc/13/19/35/1047131935.db2.gz CBHAQBXVFRMXLD-FXAWDEMLSA-N 1 3 300.490 4.095 20 0 DIADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@H](c2ccccc2)C2CC2)C1 ZINC000537014110 1047131942 /nfs/dbraw/zinc/13/19/42/1047131942.db2.gz CBHAQBXVFRMXLD-FXAWDEMLSA-N 1 3 300.490 4.095 20 0 DIADHO C[C@@H]1C[C@@H]1c1ccc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000537231092 1047153939 /nfs/dbraw/zinc/15/39/39/1047153939.db2.gz MRVHGOXZMIPISM-NUJGCVRESA-N 1 3 304.478 4.005 20 0 DIADHO C[C@@H]1C[C@@H]1c1ccc(CNCCCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC000537231092 1047153949 /nfs/dbraw/zinc/15/39/49/1047153949.db2.gz MRVHGOXZMIPISM-NUJGCVRESA-N 1 3 304.478 4.005 20 0 DIADHO C[C@H]1C[C@@H]1c1ccc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000537231096 1047154089 /nfs/dbraw/zinc/15/40/89/1047154089.db2.gz MRVHGOXZMIPISM-RYRKJORJSA-N 1 3 304.478 4.005 20 0 DIADHO C[C@H]1C[C@@H]1c1ccc(CNCCCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC000537231096 1047154097 /nfs/dbraw/zinc/15/40/97/1047154097.db2.gz MRVHGOXZMIPISM-RYRKJORJSA-N 1 3 304.478 4.005 20 0 DIADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)S4)CC2)C1 ZINC000897748933 1047284746 /nfs/dbraw/zinc/28/47/46/1047284746.db2.gz LTDCLZVYKXZICZ-OWZPZPLSSA-N 1 3 322.562 4.046 20 0 DIADHO CC[C@@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000651211003 1047302147 /nfs/dbraw/zinc/30/21/47/1047302147.db2.gz YOBNALZMCVRDKL-PZJWPPBQSA-N 1 3 323.484 4.035 20 0 DIADHO CC[C@@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000651211003 1047302161 /nfs/dbraw/zinc/30/21/61/1047302161.db2.gz YOBNALZMCVRDKL-PZJWPPBQSA-N 1 3 323.484 4.035 20 0 DIADHO CC[C@@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000651211004 1047302736 /nfs/dbraw/zinc/30/27/36/1047302736.db2.gz YOBNALZMCVRDKL-TZIWHRDSSA-N 1 3 323.484 4.035 20 0 DIADHO CC[C@@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000651211004 1047302746 /nfs/dbraw/zinc/30/27/46/1047302746.db2.gz YOBNALZMCVRDKL-TZIWHRDSSA-N 1 3 323.484 4.035 20 0 DIADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651829472 1047329367 /nfs/dbraw/zinc/32/93/67/1047329367.db2.gz DCBAROCFJDRERH-ZWKOTPCHSA-N 1 3 323.484 4.131 20 0 DIADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651829472 1047329382 /nfs/dbraw/zinc/32/93/82/1047329382.db2.gz DCBAROCFJDRERH-ZWKOTPCHSA-N 1 3 323.484 4.131 20 0 DIADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000652142776 1047344575 /nfs/dbraw/zinc/34/45/75/1047344575.db2.gz BICWZFMLXGVVLC-FXAWDEMLSA-N 1 3 315.505 4.025 20 0 DIADHO CCC[N@H+]1CC[C@@H](CN[C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000652142776 1047344581 /nfs/dbraw/zinc/34/45/81/1047344581.db2.gz BICWZFMLXGVVLC-FXAWDEMLSA-N 1 3 315.505 4.025 20 0 DIADHO CC[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000044533147 1047346117 /nfs/dbraw/zinc/34/61/17/1047346117.db2.gz PNVXFJGXADDHQM-LRDDRELGSA-N 1 3 315.288 4.376 20 0 DIADHO CC[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000044533147 1047346121 /nfs/dbraw/zinc/34/61/21/1047346121.db2.gz PNVXFJGXADDHQM-LRDDRELGSA-N 1 3 315.288 4.376 20 0 DIADHO CC[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000044533151 1047346260 /nfs/dbraw/zinc/34/62/60/1047346260.db2.gz PNVXFJGXADDHQM-WBMJQRKESA-N 1 3 315.288 4.376 20 0 DIADHO CC[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000044533151 1047346272 /nfs/dbraw/zinc/34/62/72/1047346272.db2.gz PNVXFJGXADDHQM-WBMJQRKESA-N 1 3 315.288 4.376 20 0 DIADHO COc1cccc2cc(CN[C@@H](CCC[NH3+])c3ccccc3)oc21 ZINC000841086591 1047380395 /nfs/dbraw/zinc/38/03/95/1047380395.db2.gz JJHZBFAYZAAWFO-SFHVURJKSA-N 1 3 324.424 4.011 20 0 DIADHO Cc1ccc2oc(CN[C@@H](CCC[NH3+])c3ccccc3)cc2c1 ZINC000841086138 1047381154 /nfs/dbraw/zinc/38/11/54/1047381154.db2.gz DHBRVRIGIJZWGG-IBGZPJMESA-N 1 3 308.425 4.311 20 0 DIADHO CC[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc(F)cc1 ZINC000121313604 1047518021 /nfs/dbraw/zinc/51/80/21/1047518021.db2.gz MCKQDENSZQZKKZ-LJQANCHMSA-N 1 3 304.453 4.273 20 0 DIADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(SC(F)F)cc1 ZINC000843343870 1047543231 /nfs/dbraw/zinc/54/32/31/1047543231.db2.gz IVXLNWFFPKFTEW-LBPRGKRZSA-N 1 3 322.424 4.311 20 0 DIADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CC(C)(C)c2ccccc2)C1 ZINC000314961577 1047591660 /nfs/dbraw/zinc/59/16/60/1047591660.db2.gz UWAFAHHRZDUCQX-MSOLQXFVSA-N 1 3 302.506 4.063 20 0 DIADHO CCCCN1CCC([NH2+][C@@H](CC)c2cc(C)ccc2OC)CC1 ZINC000537879921 1047641947 /nfs/dbraw/zinc/64/19/47/1047641947.db2.gz JFFJNSJNLMWYPK-IBGZPJMESA-N 1 3 318.505 4.309 20 0 DIADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCCC(F)(F)C2)CC1 ZINC000537956301 1047646541 /nfs/dbraw/zinc/64/65/41/1047646541.db2.gz KYNSLZZYCFDLOK-HYVNUMGLSA-N 1 3 314.464 4.197 20 0 DIADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCCC(F)(F)C2)CC1 ZINC000537956302 1047646984 /nfs/dbraw/zinc/64/69/84/1047646984.db2.gz KYNSLZZYCFDLOK-OIISXLGYSA-N 1 3 314.464 4.197 20 0 DIADHO Cc1ccc([C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C2CC2)cc1 ZINC000538099169 1047657459 /nfs/dbraw/zinc/65/74/59/1047657459.db2.gz RUJVHEQRXXGMBJ-YLJYHZDGSA-N 1 3 300.490 4.156 20 0 DIADHO Cc1ccc([C@@H](NC[C@H]2CCC[N@@H+](C(C)C)C2)C2CC2)cc1 ZINC000538099169 1047657466 /nfs/dbraw/zinc/65/74/66/1047657466.db2.gz RUJVHEQRXXGMBJ-YLJYHZDGSA-N 1 3 300.490 4.156 20 0 DIADHO Cc1ccc([C@@H](NC[C@H]2CCC[N@H+](C(C)C)C2)C2CC2)cc1 ZINC000538099169 1047657471 /nfs/dbraw/zinc/65/74/71/1047657471.db2.gz RUJVHEQRXXGMBJ-YLJYHZDGSA-N 1 3 300.490 4.156 20 0 DIADHO CC[NH+]1CCC(N[C@H]2C[C@H]3CCC(C)(C)c4cccc2c43)CC1 ZINC000538462644 1047680214 /nfs/dbraw/zinc/68/02/14/1047680214.db2.gz SBWNSTWYONVCRV-BEFAXECRSA-N 1 3 312.501 4.360 20 0 DIADHO CCC[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccccc1F ZINC001168360287 1047752693 /nfs/dbraw/zinc/75/26/93/1047752693.db2.gz MSUUGUSFFDQQFL-LJQANCHMSA-N 1 3 304.453 4.131 20 0 DIADHO CC1(C)[C@H](NC2CC([NH+]3CCCCC3)C2)C[C@H]1c1ccccc1 ZINC000479516357 1047919544 /nfs/dbraw/zinc/91/95/44/1047919544.db2.gz KMWIAPNKAMOGDZ-GHBBCFCZSA-N 1 3 312.501 4.175 20 0 DIADHO Cc1csc2sc(C[N@@H+]3C[C@@H](C)CC[C@H]3CN)c(C)c12 ZINC001205827246 1047928268 /nfs/dbraw/zinc/92/82/68/1047928268.db2.gz GDPNZMBPDORKPO-GWCFXTLKSA-N 1 3 308.516 4.139 20 0 DIADHO Cc1csc2sc(C[N@H+]3C[C@@H](C)CC[C@H]3CN)c(C)c12 ZINC001205827246 1047928276 /nfs/dbraw/zinc/92/82/76/1047928276.db2.gz GDPNZMBPDORKPO-GWCFXTLKSA-N 1 3 308.516 4.139 20 0 DIADHO CCC[C@@H](C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001183571140 1047944948 /nfs/dbraw/zinc/94/49/48/1047944948.db2.gz FMESUKBOIAPDJA-HZEGPAAWSA-N 1 3 314.517 4.455 20 0 DIADHO C[NH+](C)CC[C@@H](N[C@@H]1CCCCC12CCCC2)c1cccnc1 ZINC001183919397 1047982294 /nfs/dbraw/zinc/98/22/94/1047982294.db2.gz IYVDORCQMZIVRL-RTBURBONSA-N 1 3 315.505 4.167 20 0 DIADHO CCN(CC)CC[C@@H]([NH2+]C1CC2(CCC2)C1)c1ccccc1 ZINC001184339405 1048030809 /nfs/dbraw/zinc/03/08/09/1048030809.db2.gz QONFFALDBXILHO-LJQANCHMSA-N 1 3 300.490 4.382 20 0 DIADHO Cc1cc([C@H](C)[NH2+]C2CCN(CC3CC3)CC2)ccc1Cl ZINC001168362649 1048101220 /nfs/dbraw/zinc/10/12/20/1048101220.db2.gz AGNWNEXTUFBRGB-AWEZNQCLSA-N 1 3 306.881 4.173 20 0 DIADHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccsc1Cl ZINC000480663422 1048215859 /nfs/dbraw/zinc/21/58/59/1048215859.db2.gz NQDFYIQOQSJJLU-ZDUSSCGKSA-N 1 3 300.899 4.146 20 0 DIADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccsc1Cl ZINC000480663422 1048215843 /nfs/dbraw/zinc/21/58/43/1048215843.db2.gz NQDFYIQOQSJJLU-ZDUSSCGKSA-N 1 3 300.899 4.146 20 0 DIADHO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000480693316 1048217916 /nfs/dbraw/zinc/21/79/16/1048217916.db2.gz BIWBNICZGSMLHA-ILXRZTDVSA-N 1 3 320.443 4.350 20 0 DIADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(-c2ccccc2)c1 ZINC000480741757 1048234030 /nfs/dbraw/zinc/23/40/30/1048234030.db2.gz ACDFYPNSBXPSPS-ZWKOTPCHSA-N 1 3 320.480 4.489 20 0 DIADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(-c2ccccc2)c1 ZINC000480741757 1048234041 /nfs/dbraw/zinc/23/40/41/1048234041.db2.gz ACDFYPNSBXPSPS-ZWKOTPCHSA-N 1 3 320.480 4.489 20 0 DIADHO Fc1ccccc1[C@@H](CC1CC1)[NH2+]C1CCN(CC2CC2)CC1 ZINC001168364666 1048257047 /nfs/dbraw/zinc/25/70/47/1048257047.db2.gz GPAGGTPUBXBFPC-HXUWFJFHSA-N 1 3 316.464 4.131 20 0 DIADHO CC1CC[NH+](CC[C@H]2CCCN2CCSC(C)(C)C)CC1 ZINC001175351992 1048273823 /nfs/dbraw/zinc/27/38/23/1048273823.db2.gz NSBKTVSXBYYSBV-QGZVFWFLSA-N 1 3 312.567 4.105 20 0 DIADHO CC1CCN(CC[C@H]2CCC[N@@H+]2CCSC(C)(C)C)CC1 ZINC001175351992 1048273830 /nfs/dbraw/zinc/27/38/30/1048273830.db2.gz NSBKTVSXBYYSBV-QGZVFWFLSA-N 1 3 312.567 4.105 20 0 DIADHO CC1CCN(CC[C@H]2CCC[N@H+]2CCSC(C)(C)C)CC1 ZINC001175351992 1048273840 /nfs/dbraw/zinc/27/38/40/1048273840.db2.gz NSBKTVSXBYYSBV-QGZVFWFLSA-N 1 3 312.567 4.105 20 0 DIADHO CCc1ccc([C@H](CC)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000481438092 1048399107 /nfs/dbraw/zinc/39/91/07/1048399107.db2.gz RJNZXKTXXRZIPK-FQEVSTJZSA-N 1 3 300.490 4.307 20 0 DIADHO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC001206680609 1048402355 /nfs/dbraw/zinc/40/23/55/1048402355.db2.gz NZYWOWLYDASBLU-ZWKOTPCHSA-N 1 3 302.506 4.064 20 0 DIADHO Cc1cccc(-c2cccc(CN[C@H]3CC[N@H+](C)[C@@H](C)C3)c2)c1 ZINC000481920656 1048528431 /nfs/dbraw/zinc/52/84/31/1048528431.db2.gz FSBZXTXRUBLLMD-UWJYYQICSA-N 1 3 308.469 4.234 20 0 DIADHO Cc1cccc(-c2cccc(CN[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)c1 ZINC000481920656 1048528446 /nfs/dbraw/zinc/52/84/46/1048528446.db2.gz FSBZXTXRUBLLMD-UWJYYQICSA-N 1 3 308.469 4.234 20 0 DIADHO CCN1CC[C@H]([N@H+](C)Cc2cc3c(cc(C)cc3C)[nH]2)C[C@@H]1C ZINC000481988734 1048539348 /nfs/dbraw/zinc/53/93/48/1048539348.db2.gz GIFFFFYSJKGLTO-WMZOPIPTSA-N 1 3 313.489 4.089 20 0 DIADHO CCN1CC[C@H]([N@@H+](C)Cc2cc3c(cc(C)cc3C)[nH]2)C[C@@H]1C ZINC000481988734 1048539362 /nfs/dbraw/zinc/53/93/62/1048539362.db2.gz GIFFFFYSJKGLTO-WMZOPIPTSA-N 1 3 313.489 4.089 20 0 DIADHO Cc1cc2cc(NCc3cccc(C[NH+](C)C)c3)ccc2cn1 ZINC001163997949 1048567232 /nfs/dbraw/zinc/56/72/32/1048567232.db2.gz DVOUAPWRZYAKPI-UHFFFAOYSA-N 1 3 305.425 4.217 20 0 DIADHO Cc1cc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc(C)c1F ZINC000482326096 1048588863 /nfs/dbraw/zinc/58/88/63/1048588863.db2.gz YEFKGTXTZIAJSR-DLBZAZTESA-N 1 3 306.469 4.214 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)C(C)(C)c2ccccc2)C1 ZINC000482343531 1048591349 /nfs/dbraw/zinc/59/13/49/1048591349.db2.gz HRLJKQGLTQXKLS-ROUUACIJSA-N 1 3 302.506 4.063 20 0 DIADHO CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000482357177 1048592440 /nfs/dbraw/zinc/59/24/40/1048592440.db2.gz KHDNYBPHZDXIEB-QZTJIDSGSA-N 1 3 318.505 4.246 20 0 DIADHO C[C@@H](C[NH2+]C1CCN(CC2CCCC2)CC1)c1ccccc1 ZINC000194298835 1048606527 /nfs/dbraw/zinc/60/65/27/1048606527.db2.gz OZNGROGKAFETEK-KRWDZBQOSA-N 1 3 300.490 4.034 20 0 DIADHO CC[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000482454161 1048612243 /nfs/dbraw/zinc/61/22/43/1048612243.db2.gz WQOBJAKRYHJICS-IFMALSPDSA-N 1 3 322.496 4.292 20 0 DIADHO CC[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000482454161 1048612246 /nfs/dbraw/zinc/61/22/46/1048612246.db2.gz WQOBJAKRYHJICS-IFMALSPDSA-N 1 3 322.496 4.292 20 0 DIADHO CC[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000482454161 1048612253 /nfs/dbraw/zinc/61/22/53/1048612253.db2.gz WQOBJAKRYHJICS-IFMALSPDSA-N 1 3 322.496 4.292 20 0 DIADHO C[C@@H]([NH2+]C1CCN(CC2CCCCC2)CC1)C(C)(C)C(F)F ZINC000850429988 1048654627 /nfs/dbraw/zinc/65/46/27/1048654627.db2.gz HXJRJAWBQXYDCM-CQSZACIVSA-N 1 3 316.480 4.301 20 0 DIADHO CC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775367531 1048709362 /nfs/dbraw/zinc/70/93/62/1048709362.db2.gz WTUCHRGCTQJUHA-HZPDHXFCSA-N 1 3 304.478 4.130 20 0 DIADHO Cc1ccc2ccccc2c1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000483234188 1048759376 /nfs/dbraw/zinc/75/93/76/1048759376.db2.gz JMFLQEGAJQPEDC-GOSISDBHSA-N 1 3 308.469 4.066 20 0 DIADHO COc1ccc([C@H](C)[NH2+]C2CC(C)C2)cc1CN1CCCCC1 ZINC000775411360 1048786727 /nfs/dbraw/zinc/78/67/27/1048786727.db2.gz DRFPLCHGEOEJHA-WUJZJPHMSA-N 1 3 316.489 4.130 20 0 DIADHO CN(Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccccc1)CC2 ZINC001203306027 1048863896 /nfs/dbraw/zinc/86/38/96/1048863896.db2.gz BDIBUYRJRYPWBW-FQEVSTJZSA-N 1 3 324.468 4.156 20 0 DIADHO Cc1cc(C)c(/C=C\C[NH2+]C2CCN(C(C)(C)C)CC2)cc1C ZINC001177338193 1048871598 /nfs/dbraw/zinc/87/15/98/1048871598.db2.gz TZUWFSJTSIOVOX-FPLPWBNLSA-N 1 3 314.517 4.478 20 0 DIADHO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC[C@@H]2CCCN2C)o1 ZINC001191260076 1048898866 /nfs/dbraw/zinc/89/88/66/1048898866.db2.gz ZFSWUDGQLRVLJI-BQFCYCMXSA-N 1 3 304.478 4.099 20 0 DIADHO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC[C@@H]2CCCN2C)o1 ZINC001191260076 1048898881 /nfs/dbraw/zinc/89/88/81/1048898881.db2.gz ZFSWUDGQLRVLJI-BQFCYCMXSA-N 1 3 304.478 4.099 20 0 DIADHO Cc1ccccc1CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001203709877 1048974189 /nfs/dbraw/zinc/97/41/89/1048974189.db2.gz SLNNDLZAIKPLHO-JOCHJYFZSA-N 1 3 320.480 4.093 20 0 DIADHO Cc1ccccc1CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001203709877 1048974200 /nfs/dbraw/zinc/97/42/00/1048974200.db2.gz SLNNDLZAIKPLHO-JOCHJYFZSA-N 1 3 320.480 4.093 20 0 DIADHO Cc1c2ccccc2sc1[C@@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001178436397 1049031708 /nfs/dbraw/zinc/03/17/08/1049031708.db2.gz HMUJGASCWFEOOG-PMPSAXMXSA-N 1 3 314.498 4.487 20 0 DIADHO Cc1c2ccccc2sc1[C@@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001178436397 1049031719 /nfs/dbraw/zinc/03/17/19/1049031719.db2.gz HMUJGASCWFEOOG-PMPSAXMXSA-N 1 3 314.498 4.487 20 0 DIADHO Cc1c2ccccc2sc1[C@@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001178436396 1049031843 /nfs/dbraw/zinc/03/18/43/1049031843.db2.gz HMUJGASCWFEOOG-OWCLPIDISA-N 1 3 314.498 4.487 20 0 DIADHO Cc1c2ccccc2sc1[C@@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001178436396 1049031849 /nfs/dbraw/zinc/03/18/49/1049031849.db2.gz HMUJGASCWFEOOG-OWCLPIDISA-N 1 3 314.498 4.487 20 0 DIADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC001203943634 1049039446 /nfs/dbraw/zinc/03/94/46/1049039446.db2.gz IKQCARIDJNJFQU-OAQYLSRUSA-N 1 3 322.452 4.007 20 0 DIADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC001203943634 1049039459 /nfs/dbraw/zinc/03/94/59/1049039459.db2.gz IKQCARIDJNJFQU-OAQYLSRUSA-N 1 3 322.452 4.007 20 0 DIADHO C[C@H]1CC(C[NH2+]C2CCN(C3CCCCC3)CC2)C[C@H](C)C1 ZINC001179111412 1049133590 /nfs/dbraw/zinc/13/35/90/1049133590.db2.gz ZFYBHZUCPYPCAC-IAGOWNOFSA-N 1 3 306.538 4.445 20 0 DIADHO CC(C)[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000716710923 1049145069 /nfs/dbraw/zinc/14/50/69/1049145069.db2.gz YXUDZBZPOLGKJQ-FYZZASKESA-N 1 3 312.501 4.064 20 0 DIADHO Cc1ccccc1SC[C@H](C)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC001193392899 1049206076 /nfs/dbraw/zinc/20/60/76/1049206076.db2.gz OHYGBUVLBYJZFW-SJLPKXTDSA-N 1 3 320.546 4.139 20 0 DIADHO Cc1ccccc1SC[C@H](C)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC001193392899 1049206087 /nfs/dbraw/zinc/20/60/87/1049206087.db2.gz OHYGBUVLBYJZFW-SJLPKXTDSA-N 1 3 320.546 4.139 20 0 DIADHO CC[NH+](CC)CC1CCN(Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC001204650832 1049211275 /nfs/dbraw/zinc/21/12/75/1049211275.db2.gz JDBMUFWBECFZIW-UHFFFAOYSA-N 1 3 313.489 4.030 20 0 DIADHO CSc1ccc(Cl)cc1CN1CCCC2(CC[NH2+]CC2)C1 ZINC001204748405 1049251502 /nfs/dbraw/zinc/25/15/02/1049251502.db2.gz KSDOWPZQQKIAFM-UHFFFAOYSA-N 1 3 324.921 4.028 20 0 DIADHO CCC(CC)(CC)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000668510909 1049275830 /nfs/dbraw/zinc/27/58/30/1049275830.db2.gz BCUITHSLHDHZMP-UHFFFAOYSA-N 1 3 317.521 4.100 20 0 DIADHO Cc1ccc(Cl)c(CN2CC[C@@H](C)[C@H](C[NH3+])CC2)c1Cl ZINC001205651788 1049310425 /nfs/dbraw/zinc/31/04/25/1049310425.db2.gz JWQYRVQKYFUQDO-YPMHNXCESA-N 1 3 315.288 4.109 20 0 DIADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001204937434 1049315591 /nfs/dbraw/zinc/31/55/91/1049315591.db2.gz JUYVYUIWLZIOFB-VIYGXFRKSA-N 1 3 312.501 4.065 20 0 DIADHO CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001180300787 1049327851 /nfs/dbraw/zinc/32/78/51/1049327851.db2.gz DVKAPIRESFAUMK-VAMGGRTRSA-N 1 3 314.517 4.313 20 0 DIADHO CC(C)(C)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001180300788 1049328202 /nfs/dbraw/zinc/32/82/02/1049328202.db2.gz DVKAPIRESFAUMK-XUVXKRRUSA-N 1 3 314.517 4.313 20 0 DIADHO C[NH2+]C[C@H]1CCCN(Cc2cccc(-c3ccccc3)c2C)C1 ZINC001205017250 1049344594 /nfs/dbraw/zinc/34/45/94/1049344594.db2.gz MHTSTNMAEOVUDA-GOSISDBHSA-N 1 3 308.469 4.093 20 0 DIADHO Cc1cc(CN2CCC[C@](C)([NH3+])CC2)ccc1Oc1ccccc1 ZINC001205296410 1049431397 /nfs/dbraw/zinc/43/13/97/1049431397.db2.gz OQFDSZCPCYRBJY-NRFANRHFSA-N 1 3 324.468 4.491 20 0 DIADHO C[C@@H]1CCNCC[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001205333201 1049441275 /nfs/dbraw/zinc/44/12/75/1049441275.db2.gz XPRLMHRQJLPRRK-OAHLLOKOSA-N 1 3 314.860 4.191 20 0 DIADHO C[C@@H]1CCNCC[N@H+]1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001205333201 1049441278 /nfs/dbraw/zinc/44/12/78/1049441278.db2.gz XPRLMHRQJLPRRK-OAHLLOKOSA-N 1 3 314.860 4.191 20 0 DIADHO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1)CN1CCCC1 ZINC001181427857 1049473487 /nfs/dbraw/zinc/47/34/87/1049473487.db2.gz PCRKQHDSLHKBHB-WOJBJXKFSA-N 1 3 314.517 4.424 20 0 DIADHO C[C@@H]([NH2+]C1CCN(CC2CCCCC2)CC1)C1CC(F)(F)C1 ZINC000862274917 1049484209 /nfs/dbraw/zinc/48/42/09/1049484209.db2.gz XJVQYKZQUSFODM-CQSZACIVSA-N 1 3 314.464 4.055 20 0 DIADHO CC(C)CC[NH+]1CCC(CN[C@@H](C)c2cccnc2Cl)CC1 ZINC000163579613 1049511332 /nfs/dbraw/zinc/51/13/32/1049511332.db2.gz SIHQLTBUSJTHCN-HNNXBMFYSA-N 1 3 323.912 4.144 20 0 DIADHO Cc1ccc(CN2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(Cl)c1Cl ZINC001205639084 1049518686 /nfs/dbraw/zinc/51/86/86/1049518686.db2.gz VOOYMEZQFMJVOT-AAEUAGOBSA-N 1 3 315.288 4.109 20 0 DIADHO Cc1ccc(Cl)c(CN2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1Cl ZINC001205651786 1049522222 /nfs/dbraw/zinc/52/22/22/1049522222.db2.gz JWQYRVQKYFUQDO-DGCLKSJQSA-N 1 3 315.288 4.109 20 0 DIADHO Cc1cc(CN2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(Cl)cc1Cl ZINC001205652592 1049522934 /nfs/dbraw/zinc/52/29/34/1049522934.db2.gz QAYXVSOVEPXOAW-AAEUAGOBSA-N 1 3 315.288 4.109 20 0 DIADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1cc(F)cc(Cl)c1 ZINC001168372443 1049528430 /nfs/dbraw/zinc/52/84/30/1049528430.db2.gz XMPPRDUVBBUTQU-GFCCVEGCSA-N 1 3 310.844 4.004 20 0 DIADHO CCN(CCC[NH+]1CCCC1)C[C@H](C)c1cccc(Cl)c1 ZINC001205693240 1049533818 /nfs/dbraw/zinc/53/38/18/1049533818.db2.gz SCWDPXFCSOTKLG-INIZCTEOSA-N 1 3 308.897 4.251 20 0 DIADHO CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CCC[C@H](CN)[C@H]2C)cc1 ZINC001205902244 1049597692 /nfs/dbraw/zinc/59/76/92/1049597692.db2.gz JDQGJARCZHTMEK-MBOZVWFJSA-N 1 3 302.506 4.048 20 0 DIADHO CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCC[C@H](CN)[C@H]2C)cc1 ZINC001205902244 1049597705 /nfs/dbraw/zinc/59/77/05/1049597705.db2.gz JDQGJARCZHTMEK-MBOZVWFJSA-N 1 3 302.506 4.048 20 0 DIADHO C[C@H]1[C@@H](C[NH3+])CCCN1Cc1ccc2oc3ccccc3c2c1 ZINC001205902198 1049598013 /nfs/dbraw/zinc/59/80/13/1049598013.db2.gz IOSDFYXSEOZCBZ-GOEBONIOSA-N 1 3 308.425 4.145 20 0 DIADHO Cc1ccc2c(c1)[C@@H](NC[C@@H]1CCC[N@@H+](C(C)C)C1)CCC2 ZINC000339070333 1049672313 /nfs/dbraw/zinc/67/23/13/1049672313.db2.gz MNGQSUGDHADKPL-PXNSSMCTSA-N 1 3 300.490 4.082 20 0 DIADHO Cc1ccc2c(c1)[C@@H](NC[C@@H]1CCC[N@H+](C(C)C)C1)CCC2 ZINC000339070333 1049672326 /nfs/dbraw/zinc/67/23/26/1049672326.db2.gz MNGQSUGDHADKPL-PXNSSMCTSA-N 1 3 300.490 4.082 20 0 DIADHO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)CCC2 ZINC000339070333 1049672337 /nfs/dbraw/zinc/67/23/37/1049672337.db2.gz MNGQSUGDHADKPL-PXNSSMCTSA-N 1 3 300.490 4.082 20 0 DIADHO CS[C@@H]1CCCC[C@H]1[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC001182692538 1049700822 /nfs/dbraw/zinc/70/08/22/1049700822.db2.gz AXQVPOPPWDSSQE-NXWXRZEISA-N 1 3 324.578 4.293 20 0 DIADHO Cc1cnc(-c2ccccc2)c(CN2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206572938 1049759894 /nfs/dbraw/zinc/75/98/94/1049759894.db2.gz IJUBOVIXXMCHIJ-NRFANRHFSA-N 1 3 323.484 4.008 20 0 DIADHO CC(C)[N@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)[C@@H]1CCCNCC1 ZINC001206580121 1049761892 /nfs/dbraw/zinc/76/18/92/1049761892.db2.gz CJKLZRBQRFAZBM-UHOSZYNNSA-N 1 3 320.908 4.296 20 0 DIADHO CC(C)[N@@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)[C@@H]1CCCNCC1 ZINC001206580121 1049761911 /nfs/dbraw/zinc/76/19/11/1049761911.db2.gz CJKLZRBQRFAZBM-UHOSZYNNSA-N 1 3 320.908 4.296 20 0 DIADHO CC(C)[N@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)[C@H]1CCCNCC1 ZINC001206580123 1049762244 /nfs/dbraw/zinc/76/22/44/1049762244.db2.gz CJKLZRBQRFAZBM-WDSOQIARSA-N 1 3 320.908 4.296 20 0 DIADHO CC(C)[N@@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)[C@H]1CCCNCC1 ZINC001206580123 1049762248 /nfs/dbraw/zinc/76/22/48/1049762248.db2.gz CJKLZRBQRFAZBM-WDSOQIARSA-N 1 3 320.908 4.296 20 0 DIADHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1nccc2ccccc21 ZINC000570490246 1049763381 /nfs/dbraw/zinc/76/33/81/1049763381.db2.gz QKQCYGHVBUGANX-INIZCTEOSA-N 1 3 311.473 4.007 20 0 DIADHO CCOc1ccc(CN(C(C)C)[C@H]2CCC[NH2+]CC2)cc1Cl ZINC001206591635 1049763666 /nfs/dbraw/zinc/76/36/66/1049763666.db2.gz UMNLNIKJAYTBRC-INIZCTEOSA-N 1 3 324.896 4.091 20 0 DIADHO CCc1cc(CN(C(C)C)[C@@H]2CCC[NH2+]CC2)ccc1Cl ZINC001206599735 1049766932 /nfs/dbraw/zinc/76/69/32/1049766932.db2.gz WOOSTCVRSGYYIJ-QGZVFWFLSA-N 1 3 308.897 4.255 20 0 DIADHO C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1ccc2oc3ccccc3c2c1 ZINC001206767802 1049794734 /nfs/dbraw/zinc/79/47/34/1049794734.db2.gz FGZGMEPFJDVVHK-ZBFHGGJFSA-N 1 3 308.425 4.145 20 0 DIADHO CN(C)CC(C)(C)C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001207274474 1049872998 /nfs/dbraw/zinc/87/29/98/1049872998.db2.gz CXRAOOSWICLNNY-UHFFFAOYSA-N 1 3 306.881 4.017 20 0 DIADHO CN(C)CC(C)(C)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001207274474 1049873005 /nfs/dbraw/zinc/87/30/05/1049873005.db2.gz CXRAOOSWICLNNY-UHFFFAOYSA-N 1 3 306.881 4.017 20 0 DIADHO CC1=CC[C@H](CCN2CCC([NH+]3CCC(F)CC3)CC2)C1(C)C ZINC001207277672 1049874362 /nfs/dbraw/zinc/87/43/62/1049874362.db2.gz VCFRJHBNKFZYLF-QGZVFWFLSA-N 1 3 322.512 4.267 20 0 DIADHO c1ccc(CCCC[N@@H+]2CCCC[C@@H]2CCN2CCCC2)cc1 ZINC001207610796 1049916825 /nfs/dbraw/zinc/91/68/25/1049916825.db2.gz NFQKEYYSOCNHQR-OAQYLSRUSA-N 1 3 314.517 4.350 20 0 DIADHO c1ccc(CCCC[N@H+]2CCCC[C@@H]2CCN2CCCC2)cc1 ZINC001207610796 1049916831 /nfs/dbraw/zinc/91/68/31/1049916831.db2.gz NFQKEYYSOCNHQR-OAQYLSRUSA-N 1 3 314.517 4.350 20 0 DIADHO CN1C[C@@H]2CC[C@@H]([NH2+]CC3CCC4(CCCCC4)CC3)[C@@H]2C1 ZINC001207836659 1049944126 /nfs/dbraw/zinc/94/41/26/1049944126.db2.gz KOFPLPLTOQIAMC-IPMKNSEASA-N 1 3 304.522 4.057 20 0 DIADHO C[C@H](C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C)c1ccccc1 ZINC001207912073 1049954223 /nfs/dbraw/zinc/95/42/23/1049954223.db2.gz NDRPOGLQHIKLSE-YZGWKJHDSA-N 1 3 300.490 4.129 20 0 DIADHO C[C@H](C[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C)c1ccccc1 ZINC001207912073 1049954235 /nfs/dbraw/zinc/95/42/35/1049954235.db2.gz NDRPOGLQHIKLSE-YZGWKJHDSA-N 1 3 300.490 4.129 20 0 DIADHO Cc1ccc([C@H](C)CCN2CCCC[C@@H]2CC[NH+]2CCCC2)o1 ZINC001208155755 1049978986 /nfs/dbraw/zinc/97/89/86/1049978986.db2.gz OKMYHZPEKBZLMO-IEBWSBKVSA-N 1 3 318.505 4.422 20 0 DIADHO Cc1ccc([C@H](C)CC[N@@H+]2CCCC[C@@H]2CCN2CCCC2)o1 ZINC001208155755 1049978989 /nfs/dbraw/zinc/97/89/89/1049978989.db2.gz OKMYHZPEKBZLMO-IEBWSBKVSA-N 1 3 318.505 4.422 20 0 DIADHO Cc1ccc([C@H](C)CC[N@H+]2CCCC[C@@H]2CCN2CCCC2)o1 ZINC001208155755 1049978992 /nfs/dbraw/zinc/97/89/92/1049978992.db2.gz OKMYHZPEKBZLMO-IEBWSBKVSA-N 1 3 318.505 4.422 20 0 DIADHO Cc1ccc([C@@H](C)CC[N@@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)o1 ZINC001208170450 1049981364 /nfs/dbraw/zinc/98/13/64/1049981364.db2.gz XDSOCSHGOSKXRR-YTQUADARSA-N 1 3 318.505 4.420 20 0 DIADHO Cc1ccc([C@@H](C)CC[N@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)o1 ZINC001208170450 1049981369 /nfs/dbraw/zinc/98/13/69/1049981369.db2.gz XDSOCSHGOSKXRR-YTQUADARSA-N 1 3 318.505 4.420 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCc1ccc(Cl)cc1 ZINC001208742378 1050008429 /nfs/dbraw/zinc/00/84/29/1050008429.db2.gz QDJGBFYGQLAAIM-OALUTQOASA-N 1 3 320.908 4.221 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCc1ccc(Cl)cc1 ZINC001208742378 1050008432 /nfs/dbraw/zinc/00/84/32/1050008432.db2.gz QDJGBFYGQLAAIM-OALUTQOASA-N 1 3 320.908 4.221 20 0 DIADHO CC(C)CCC[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001208736183 1050008592 /nfs/dbraw/zinc/00/85/92/1050008592.db2.gz DWMZQAWBERNLJL-UHFFFAOYSA-N 1 3 300.490 4.021 20 0 DIADHO c1ccc(C[N@H+]2CC[C@@H](CN3CCC4(CCCC4)CC3)C2)cc1 ZINC001208945137 1050026808 /nfs/dbraw/zinc/02/68/08/1050026808.db2.gz ZAHOKDSOSYRCMT-FQEVSTJZSA-N 1 3 312.501 4.165 20 0 DIADHO c1ccc(C[N@@H+]2CC[C@@H](CN3CCC4(CCCC4)CC3)C2)cc1 ZINC001208945137 1050026818 /nfs/dbraw/zinc/02/68/18/1050026818.db2.gz ZAHOKDSOSYRCMT-FQEVSTJZSA-N 1 3 312.501 4.165 20 0 DIADHO C[N@@H+](Cc1ccsc1)C[C@H]1CCCN(Cc2ccccc2)C1 ZINC001208939912 1050028634 /nfs/dbraw/zinc/02/86/34/1050028634.db2.gz LGFGRSYABORIDL-GOSISDBHSA-N 1 3 314.498 4.092 20 0 DIADHO C[N@H+](Cc1ccsc1)C[C@H]1CCCN(Cc2ccccc2)C1 ZINC001208939912 1050028638 /nfs/dbraw/zinc/02/86/38/1050028638.db2.gz LGFGRSYABORIDL-GOSISDBHSA-N 1 3 314.498 4.092 20 0 DIADHO C[C@H]1c2ccccc2CCN1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208949928 1050029375 /nfs/dbraw/zinc/02/93/75/1050029375.db2.gz ZPWAFVWLGNWVMX-ICSRJNTNSA-N 1 3 320.480 4.128 20 0 DIADHO C[C@H]1c2ccccc2CCN1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208949928 1050029380 /nfs/dbraw/zinc/02/93/80/1050029380.db2.gz ZPWAFVWLGNWVMX-ICSRJNTNSA-N 1 3 320.480 4.128 20 0 DIADHO Cc1nc([C@@H](C)NCCCCCCC[NH+]2CCCC2)c(C)s1 ZINC000772878003 1050186961 /nfs/dbraw/zinc/18/69/61/1050186961.db2.gz APOAXDIQABCIEF-OAHLLOKOSA-N 1 3 323.550 4.457 20 0 DIADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(F)cc1F ZINC000480623100 1050388725 /nfs/dbraw/zinc/38/87/25/1050388725.db2.gz ZWCPYGVPVSVTFM-OAHLLOKOSA-N 1 3 310.432 4.128 20 0 DIADHO C[NH2+]Cc1ccccc1CNCc1ccc(SC(F)F)cc1 ZINC000844905394 1050518340 /nfs/dbraw/zinc/51/83/40/1050518340.db2.gz YXDHLFUUBXZZAM-UHFFFAOYSA-N 1 3 322.424 4.011 20 0 DIADHO CCN(CC)CCC[NH2+][C@](C)(Cc1ccccc1)c1ccccc1 ZINC001171157764 1050536480 /nfs/dbraw/zinc/53/64/80/1050536480.db2.gz YSMCBBNVJMAIFD-JOCHJYFZSA-N 1 3 324.512 4.466 20 0 DIADHO CC(C)c1ccc(CNCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000302796039 1050856940 /nfs/dbraw/zinc/85/69/40/1050856940.db2.gz NWABMSZIAGULDB-UHFFFAOYSA-N 1 3 310.485 4.422 20 0 DIADHO CC(C)c1ccc(CNCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000302796039 1050856953 /nfs/dbraw/zinc/85/69/53/1050856953.db2.gz NWABMSZIAGULDB-UHFFFAOYSA-N 1 3 310.485 4.422 20 0 DIADHO CC(F)(F)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716714650 1051134754 /nfs/dbraw/zinc/13/47/54/1051134754.db2.gz VEFIJSQYBIOHGH-BZSNNMDCSA-N 1 3 322.443 4.065 20 0 DIADHO Cc1cccc2c1CC[C@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171556792 1051164572 /nfs/dbraw/zinc/16/45/72/1051164572.db2.gz NGSYRZHFCDKXGW-KRWDZBQOSA-N 1 3 314.517 4.093 20 0 DIADHO CCC(CC)[N@@H+]1CC[C@H](N[C@@H](C)Cc2ccccc2Cl)C1 ZINC001170260298 1051166074 /nfs/dbraw/zinc/16/60/74/1051166074.db2.gz HQIGEGQWPGNZSO-HOCLYGCPSA-N 1 3 308.897 4.124 20 0 DIADHO CCC(CC)[N@H+]1CC[C@H](N[C@@H](C)Cc2ccccc2Cl)C1 ZINC001170260298 1051166082 /nfs/dbraw/zinc/16/60/82/1051166082.db2.gz HQIGEGQWPGNZSO-HOCLYGCPSA-N 1 3 308.897 4.124 20 0 DIADHO Cc1ncccc1[C@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)C1CC1 ZINC001171630063 1051172767 /nfs/dbraw/zinc/17/27/67/1051172767.db2.gz HBIFKXKVLIBKKO-GOSISDBHSA-N 1 3 315.505 4.082 20 0 DIADHO CN1C(C)(C)CC([NH2+]C[C@H]2CCCC(F)(F)C2)CC1(C)C ZINC001171629675 1051172999 /nfs/dbraw/zinc/17/29/99/1051172999.db2.gz BSBRNRSNMIDSFY-ZDUSSCGKSA-N 1 3 302.453 4.053 20 0 DIADHO C[C@@H](CCc1ccccc1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171617042 1051177696 /nfs/dbraw/zinc/17/76/96/1051177696.db2.gz FGCDYPCDUDNBOS-INIZCTEOSA-N 1 3 302.506 4.249 20 0 DIADHO C[C@H]1C[C@@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)c2ccccc21 ZINC001171622910 1051179499 /nfs/dbraw/zinc/17/94/99/1051179499.db2.gz CNDXWEPKSQYEKI-KBXCAEBGSA-N 1 3 300.490 4.476 20 0 DIADHO COc1ccc(C(C)(C)[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)cc1 ZINC001171623358 1051180143 /nfs/dbraw/zinc/18/01/43/1051180143.db2.gz VLVKTUAROPEVOV-UHFFFAOYSA-N 1 3 318.505 4.171 20 0 DIADHO CN1C(C)(C)CC([NH2+]C2(c3ccccc3)CCC2)CC1(C)C ZINC001171624346 1051180460 /nfs/dbraw/zinc/18/04/60/1051180460.db2.gz RHHUIHFWGZABCC-UHFFFAOYSA-N 1 3 300.490 4.307 20 0 DIADHO CN1C(C)(C)CC([NH2+]C2(Cc3cccc(F)c3)CC2)CC1(C)C ZINC001171627654 1051181589 /nfs/dbraw/zinc/18/15/89/1051181589.db2.gz ZOVICGLZBSMAEJ-UHFFFAOYSA-N 1 3 318.480 4.142 20 0 DIADHO C[NH+]1C(C)(C)CC(NC2(Cc3cccc(F)c3)CC2)CC1(C)C ZINC001171627654 1051181595 /nfs/dbraw/zinc/18/15/95/1051181595.db2.gz ZOVICGLZBSMAEJ-UHFFFAOYSA-N 1 3 318.480 4.142 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@H]2CCCc3cc(F)ccc32)CC1(C)C ZINC001171627616 1051181818 /nfs/dbraw/zinc/18/18/18/1051181818.db2.gz YNUANKVSUGKJRO-SFHVURJKSA-N 1 3 318.480 4.444 20 0 DIADHO Cc1ccc(CC[C@H](C)[NH+]2CCC(N3CCCCC3)CC2)cc1 ZINC001171664512 1051187320 /nfs/dbraw/zinc/18/73/20/1051187320.db2.gz BAZCZUBOXBZZPP-IBGZPJMESA-N 1 3 314.517 4.266 20 0 DIADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CC4(C2)CCCC4)C3)cc1 ZINC001172070123 1051290666 /nfs/dbraw/zinc/29/06/66/1051290666.db2.gz XBPJFDGRORFJHY-WKCHPHFGSA-N 1 3 324.512 4.448 20 0 DIADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CC4(C2)CCCC4)C3)cc1 ZINC001172070123 1051290673 /nfs/dbraw/zinc/29/06/73/1051290673.db2.gz XBPJFDGRORFJHY-WKCHPHFGSA-N 1 3 324.512 4.448 20 0 DIADHO C[C@H](c1ccccc1Cl)[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172131099 1051293957 /nfs/dbraw/zinc/29/39/57/1051293957.db2.gz UWTBAPNXPYXKQV-WCVJEAGWSA-N 1 3 306.881 4.348 20 0 DIADHO C[C@H](c1ccccc1Cl)[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172131099 1051293967 /nfs/dbraw/zinc/29/39/67/1051293967.db2.gz UWTBAPNXPYXKQV-WCVJEAGWSA-N 1 3 306.881 4.348 20 0 DIADHO CCCCc1ccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172102612 1051296088 /nfs/dbraw/zinc/29/60/88/1051296088.db2.gz NKQRXDBUCMCYQV-ACDBMABISA-N 1 3 300.490 4.134 20 0 DIADHO CCCCc1ccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172102612 1051296096 /nfs/dbraw/zinc/29/60/96/1051296096.db2.gz NKQRXDBUCMCYQV-ACDBMABISA-N 1 3 300.490 4.134 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCCc3c(Cl)cccc31)C2 ZINC001172110083 1051300627 /nfs/dbraw/zinc/30/06/27/1051300627.db2.gz JSSHOBOMICYOJV-YGTYGHESSA-N 1 3 318.892 4.322 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCCc3c(Cl)cccc31)C2 ZINC001172110083 1051300631 /nfs/dbraw/zinc/30/06/31/1051300631.db2.gz JSSHOBOMICYOJV-YGTYGHESSA-N 1 3 318.892 4.322 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H](CC1CC1)c1ccc(F)cc1)C2 ZINC001172110193 1051301182 /nfs/dbraw/zinc/30/11/82/1051301182.db2.gz IUDFMLPMZZCHMU-IYWMVGAKSA-N 1 3 316.464 4.272 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H](CC1CC1)c1ccc(F)cc1)C2 ZINC001172110193 1051301192 /nfs/dbraw/zinc/30/11/92/1051301192.db2.gz IUDFMLPMZZCHMU-IYWMVGAKSA-N 1 3 316.464 4.272 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H](CC1CC1)c1ccc(F)cc1)C2 ZINC001172110195 1051302381 /nfs/dbraw/zinc/30/23/81/1051302381.db2.gz IUDFMLPMZZCHMU-YSTOQKLRSA-N 1 3 316.464 4.272 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H](CC1CC1)c1ccc(F)cc1)C2 ZINC001172110195 1051302384 /nfs/dbraw/zinc/30/23/84/1051302384.db2.gz IUDFMLPMZZCHMU-YSTOQKLRSA-N 1 3 316.464 4.272 20 0 DIADHO CC[C@H](C)OCC[C@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001172337692 1051361097 /nfs/dbraw/zinc/36/10/97/1051361097.db2.gz QQMHFPVKOILYMI-ROUUACIJSA-N 1 3 324.553 4.214 20 0 DIADHO CCN1CCC[C@H](C[NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC000746364988 1051384205 /nfs/dbraw/zinc/38/42/05/1051384205.db2.gz YPEIFWUDWFVWDW-GOSISDBHSA-N 1 3 308.469 4.175 20 0 DIADHO CC[N@@H+]1CCC[C@H](CNCc2ccccc2-c2ccccc2)C1 ZINC000746364988 1051384219 /nfs/dbraw/zinc/38/42/19/1051384219.db2.gz YPEIFWUDWFVWDW-GOSISDBHSA-N 1 3 308.469 4.175 20 0 DIADHO CC[N@H+]1CCC[C@H](CNCc2ccccc2-c2ccccc2)C1 ZINC000746364988 1051384233 /nfs/dbraw/zinc/38/42/33/1051384233.db2.gz YPEIFWUDWFVWDW-GOSISDBHSA-N 1 3 308.469 4.175 20 0 DIADHO CC[C@H](CC(C)C)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001172400475 1051398634 /nfs/dbraw/zinc/39/86/34/1051398634.db2.gz GDOSODVHAVWWSA-HXUWFJFHSA-N 1 3 314.517 4.409 20 0 DIADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172535223 1051449612 /nfs/dbraw/zinc/44/96/12/1051449612.db2.gz FEQJBWHUDXIKOI-FUMNGEBKSA-N 1 3 300.490 4.175 20 0 DIADHO C[C@@H](NC1CCC([NH+]2CCCCC2)CC1)c1cc(F)ccc1F ZINC000766512755 1051457338 /nfs/dbraw/zinc/45/73/38/1051457338.db2.gz MKXZLGRFQHZUOW-ODIFPOPNSA-N 1 3 322.443 4.413 20 0 DIADHO CC1CCN(CCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172545961 1051457335 /nfs/dbraw/zinc/45/73/35/1051457335.db2.gz HXIVPSZZZKRWBC-WOJBJXKFSA-N 1 3 300.490 4.034 20 0 DIADHO CC1([NH+]2CCCC2)CCN(C2CCC3(CCCC3)CC2)CC1 ZINC001172730514 1051490007 /nfs/dbraw/zinc/49/00/07/1051490007.db2.gz HXWBWDITUFTXPV-UHFFFAOYSA-N 1 3 304.522 4.440 20 0 DIADHO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC001169062247 1051501796 /nfs/dbraw/zinc/50/17/96/1051501796.db2.gz ROZZWUKEQZABMG-AQNXPRMDSA-N 1 3 302.506 4.106 20 0 DIADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(-c3cccs3)c1)C2 ZINC001169100491 1051509830 /nfs/dbraw/zinc/50/98/30/1051509830.db2.gz JXSOQZVLLSZSEH-BCDXTJNWSA-N 1 3 312.482 4.130 20 0 DIADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(-c3ccc(F)cc3)c1)C2 ZINC001169115124 1051530670 /nfs/dbraw/zinc/53/06/70/1051530670.db2.gz HQLPHUQLNIULIN-WKCHPHFGSA-N 1 3 324.443 4.208 20 0 DIADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(-c3ccc(F)cc3)c1)C2 ZINC001169115120 1051531637 /nfs/dbraw/zinc/53/16/37/1051531637.db2.gz HQLPHUQLNIULIN-MZADTFQBSA-N 1 3 324.443 4.208 20 0 DIADHO C[C@H](Cc1ccc(F)cc1Cl)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001172859024 1051545960 /nfs/dbraw/zinc/54/59/60/1051545960.db2.gz QPLYBHOPWDJXMK-CZUORRHYSA-N 1 3 324.871 4.017 20 0 DIADHO C[C@H](Cc1ccc(F)cc1Cl)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001172859024 1051545963 /nfs/dbraw/zinc/54/59/63/1051545963.db2.gz QPLYBHOPWDJXMK-CZUORRHYSA-N 1 3 324.871 4.017 20 0 DIADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccsc2)c1 ZINC000178203361 1051563791 /nfs/dbraw/zinc/56/37/91/1051563791.db2.gz LAYFXFFZWKQLFW-HNNXBMFYSA-N 1 3 302.487 4.441 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H](N)C1 ZINC001173204038 1051626392 /nfs/dbraw/zinc/62/63/92/1051626392.db2.gz BZGSZXKEQRJMQJ-XLIONFOSSA-N 1 3 308.469 4.020 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H](N)C1 ZINC001173204038 1051626396 /nfs/dbraw/zinc/62/63/96/1051626396.db2.gz BZGSZXKEQRJMQJ-XLIONFOSSA-N 1 3 308.469 4.020 20 0 DIADHO C[C@H](CN)C[N@H+](C)[C@H](C)CC(c1ccccc1)c1ccccc1 ZINC001173211530 1051649673 /nfs/dbraw/zinc/64/96/73/1051649673.db2.gz QZZKAPDCGXJQMO-QZTJIDSGSA-N 1 3 310.485 4.124 20 0 DIADHO C[C@H](CN)C[N@@H+](C)[C@H](C)CC(c1ccccc1)c1ccccc1 ZINC001173211530 1051649676 /nfs/dbraw/zinc/64/96/76/1051649676.db2.gz QZZKAPDCGXJQMO-QZTJIDSGSA-N 1 3 310.485 4.124 20 0 DIADHO C1CCN(C2CC[NH+]([C@@H]3CCCC4(CCCCC4)C3)CC2)C1 ZINC001173346875 1051707475 /nfs/dbraw/zinc/70/74/75/1051707475.db2.gz SMVBLYVXHQCSGA-LJQANCHMSA-N 1 3 304.522 4.440 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000183700199 1051719048 /nfs/dbraw/zinc/71/90/48/1051719048.db2.gz FATXNJXERXPUPA-HWOWSKLDSA-N 1 3 320.443 4.065 20 0 DIADHO CCCN(C)C[C@H]1CC[N@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000185518515 1051770376 /nfs/dbraw/zinc/77/03/76/1051770376.db2.gz GEZCNUWEERLILB-HWOWSKLDSA-N 1 3 320.443 4.019 20 0 DIADHO CCCN(C)C[C@H]1CC[N@@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000185518515 1051770390 /nfs/dbraw/zinc/77/03/90/1051770390.db2.gz GEZCNUWEERLILB-HWOWSKLDSA-N 1 3 320.443 4.019 20 0 DIADHO CN(C)Cc1ccccc1Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC001173930192 1051902926 /nfs/dbraw/zinc/90/29/26/1051902926.db2.gz VMRDHYBMDGNAEO-UHFFFAOYSA-N 1 3 323.484 4.130 20 0 DIADHO C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768228852 1051906144 /nfs/dbraw/zinc/90/61/44/1051906144.db2.gz KPOUQYCTMAHWMJ-AWEZNQCLSA-N 1 3 318.411 4.219 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@H](c2ccccc2C)C2CCCC2)C1 ZINC000494890688 1052158127 /nfs/dbraw/zinc/15/81/27/1052158127.db2.gz OAJFQHGPMOOBGJ-PXNSSMCTSA-N 1 3 300.490 4.158 20 0 DIADHO CCc1ccccc1C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000310273013 1052262987 /nfs/dbraw/zinc/26/29/87/1052262987.db2.gz UAVFBVWKSMPLCJ-GCJKJVERSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1ccccc1CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310273013 1052262998 /nfs/dbraw/zinc/26/29/98/1052262998.db2.gz UAVFBVWKSMPLCJ-GCJKJVERSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1ccccc1CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310273013 1052263010 /nfs/dbraw/zinc/26/30/10/1052263010.db2.gz UAVFBVWKSMPLCJ-GCJKJVERSA-N 1 3 322.496 4.249 20 0 DIADHO Fc1cc(F)cc(CN2CCCC3(CCCC[NH2+]C3)CCC2)c1 ZINC001222110056 1052443472 /nfs/dbraw/zinc/44/34/72/1052443472.db2.gz VOEMXTXLBPWUNA-UHFFFAOYSA-N 1 3 322.443 4.101 20 0 DIADHO Cc1ccc([C@H](C)CCN2CCCC[C@@]3(CCCC[NH2+]C3)C2)o1 ZINC001222155298 1052452398 /nfs/dbraw/zinc/45/23/98/1052452398.db2.gz ZNJLPPPSSPPUTO-YLJYHZDGSA-N 1 3 318.505 4.327 20 0 DIADHO Cc1ccc([C@H](C)CCN2CCCC[C@]3(CCCC[NH2+]C3)C2)o1 ZINC001222155297 1052453025 /nfs/dbraw/zinc/45/30/25/1052453025.db2.gz ZNJLPPPSSPPUTO-XLIONFOSSA-N 1 3 318.505 4.327 20 0 DIADHO CC(C)(C)C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000316903647 1052475579 /nfs/dbraw/zinc/47/55/79/1052475579.db2.gz ZOKBDVPKPMOWCV-QYZOEREBSA-N 1 3 300.490 4.380 20 0 DIADHO CC(C)(C)C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000316903647 1052475582 /nfs/dbraw/zinc/47/55/82/1052475582.db2.gz ZOKBDVPKPMOWCV-QYZOEREBSA-N 1 3 300.490 4.380 20 0 DIADHO Cc1cc(Cl)cc(C)c1CN1CCC[C@]12CCC[NH2+]CC2 ZINC001222320733 1052481917 /nfs/dbraw/zinc/48/19/17/1052481917.db2.gz LZBOFLMJQCBQBD-SFHVURJKSA-N 1 3 306.881 4.065 20 0 DIADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1cc(Cl)sc1Cl ZINC000125358146 1052648333 /nfs/dbraw/zinc/64/83/33/1052648333.db2.gz AILOMLYMKIKDIT-SNVBAGLBSA-N 1 3 321.317 4.437 20 0 DIADHO CC[NH+](CC)Cc1ccc(CNCc2ccc(F)cc2C)cc1 ZINC000064845466 1052651664 /nfs/dbraw/zinc/65/16/64/1052651664.db2.gz DEYIXICROMFTTK-UHFFFAOYSA-N 1 3 314.448 4.266 20 0 DIADHO CC[NH+](CC)C[C@H](C)Oc1ccc2ccccc2c1CN(C)C ZINC001228440163 1053104869 /nfs/dbraw/zinc/10/48/69/1053104869.db2.gz ABDFILYKWJVCCO-INIZCTEOSA-N 1 3 314.473 4.011 20 0 DIADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2cc3ccc(C)cc3o2)C1 ZINC001320867432 1053368108 /nfs/dbraw/zinc/36/81/08/1053368108.db2.gz VWFRUJPPQMXVJM-HOTGVXAUSA-N 1 3 300.446 4.124 20 0 DIADHO CC(C)C(C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C(C)C ZINC001200106636 1053386329 /nfs/dbraw/zinc/38/63/29/1053386329.db2.gz ZZKLCOCCBOJQGY-FQEVSTJZSA-N 1 3 316.533 4.069 20 0 DIADHO CC(C)C(C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C(C)C ZINC001200106639 1053386988 /nfs/dbraw/zinc/38/69/88/1053386988.db2.gz ZZKLCOCCBOJQGY-HXUWFJFHSA-N 1 3 316.533 4.069 20 0 DIADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(-c3ccccc3)o2)C1 ZINC001322631681 1053529529 /nfs/dbraw/zinc/52/95/29/1053529529.db2.gz BVGZMJTUJSTVKV-IRXDYDNUSA-N 1 3 312.457 4.329 20 0 DIADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2cc3cc(Cl)ccc3o2)C1 ZINC001323472771 1053581646 /nfs/dbraw/zinc/58/16/46/1053581646.db2.gz PIUKASJHJYUCAU-UONOGXRCSA-N 1 3 320.864 4.469 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cc3cc(C)c(C)cc3o2)C1 ZINC000163232876 1053743439 /nfs/dbraw/zinc/74/34/39/1053743439.db2.gz UWVOPQVYSRBOKP-JKSUJKDBSA-N 1 3 300.446 4.042 20 0 DIADHO Cc1csc2sc(C[NH+]3CCC4(CN(C)C4)CC3)c(C)c12 ZINC001231833594 1053885852 /nfs/dbraw/zinc/88/58/52/1053885852.db2.gz ZPJCQEQQDWPTRX-UHFFFAOYSA-N 1 3 320.527 4.107 20 0 DIADHO C[NH+](C)Cc1cc(F)cc(CN2CCC[C@@H]2c2cccs2)c1 ZINC001232145857 1053972084 /nfs/dbraw/zinc/97/20/84/1053972084.db2.gz CHEJQFUFRMPIEH-QGZVFWFLSA-N 1 3 318.461 4.286 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1nccc2ccccc21 ZINC001232252713 1054007688 /nfs/dbraw/zinc/00/76/88/1054007688.db2.gz YCFPXBISOCYBBW-OALUTQOASA-N 1 3 323.484 4.074 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1nccc2ccccc21 ZINC001232252713 1054007691 /nfs/dbraw/zinc/00/76/91/1054007691.db2.gz YCFPXBISOCYBBW-OALUTQOASA-N 1 3 323.484 4.074 20 0 DIADHO C[NH+](C)Cc1ccc(CN[C@H]2CCSc3ccccc32)cc1 ZINC000171129104 1054348867 /nfs/dbraw/zinc/34/88/67/1054348867.db2.gz RJOLRSGSNCQYSO-SFHVURJKSA-N 1 3 312.482 4.075 20 0 DIADHO CC[C@H](C)c1ccc(NC(=[NH2+])NCCN(C(C)C)C(C)C)cc1 ZINC000849053373 1054362428 /nfs/dbraw/zinc/36/24/28/1054362428.db2.gz CDKDKFIORROODG-INIZCTEOSA-N 1 3 318.509 4.255 20 0 DIADHO CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@@H](CC)N2CCCC2)cc1 ZINC000849060731 1054368954 /nfs/dbraw/zinc/36/89/54/1054368954.db2.gz NLFPDQKYCXFUSO-CRAIPNDOSA-N 1 3 316.493 4.011 20 0 DIADHO C[N@@H+]1CC[C@H](NC2CC(F)(c3cccc(Cl)c3)C2)CC1(C)C ZINC000623512595 1054610026 /nfs/dbraw/zinc/61/00/26/1054610026.db2.gz NVVWTDUUECVTFQ-HJOIGYKYSA-N 1 3 324.871 4.130 20 0 DIADHO C[N@H+]1CC[C@H](NC2CC(F)(c3cccc(Cl)c3)C2)CC1(C)C ZINC000623512595 1054610039 /nfs/dbraw/zinc/61/00/39/1054610039.db2.gz NVVWTDUUECVTFQ-HJOIGYKYSA-N 1 3 324.871 4.130 20 0 DIADHO c1ccc2c(c1)sc1c2cccc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235030634 1054644489 /nfs/dbraw/zinc/64/44/89/1054644489.db2.gz BHUGTTNGQROHNY-HXUWFJFHSA-N 1 3 322.477 4.240 20 0 DIADHO c1sc2ccccc2c1CN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235046565 1054646394 /nfs/dbraw/zinc/64/63/94/1054646394.db2.gz RFAIJLDELGPWLG-GOSISDBHSA-N 1 3 300.471 4.009 20 0 DIADHO CCCCCCc1ccc(CN2CC3(C2)CC[NH2+]CC3)s1 ZINC001235091775 1054654307 /nfs/dbraw/zinc/65/43/07/1054654307.db2.gz BRJIXGSQSGRKDG-UHFFFAOYSA-N 1 3 306.519 4.056 20 0 DIADHO CSc1ccc(Cl)cc1CN1CCC2(CC[NH2+]CC2)CC1 ZINC001235132353 1054662135 /nfs/dbraw/zinc/66/21/35/1054662135.db2.gz JFXRPEJPULBNKU-UHFFFAOYSA-N 1 3 324.921 4.028 20 0 DIADHO C[C@@H](C[N@@H+]1CCCC12CCNCC2)c1cccc2ccccc21 ZINC001235140338 1054665320 /nfs/dbraw/zinc/66/53/20/1054665320.db2.gz JMLKNNSTGUDBPO-KRWDZBQOSA-N 1 3 308.469 4.161 20 0 DIADHO C[C@@H](C[N@H+]1CCCC12CCNCC2)c1cccc2ccccc21 ZINC001235140338 1054665325 /nfs/dbraw/zinc/66/53/25/1054665325.db2.gz JMLKNNSTGUDBPO-KRWDZBQOSA-N 1 3 308.469 4.161 20 0 DIADHO Cc1csc2sc(CN3CCCC34CC[NH2+]CC4)c(C)c12 ZINC001235145303 1054667110 /nfs/dbraw/zinc/66/71/10/1054667110.db2.gz SYGGRNCSRSPJBP-UHFFFAOYSA-N 1 3 320.527 4.298 20 0 DIADHO Cc1csc2sc(C[N@@H+]3CCCC34CCNCC4)c(C)c12 ZINC001235145303 1054667116 /nfs/dbraw/zinc/66/71/16/1054667116.db2.gz SYGGRNCSRSPJBP-UHFFFAOYSA-N 1 3 320.527 4.298 20 0 DIADHO Cc1csc2sc(C[N@H+]3CCCC34CCNCC4)c(C)c12 ZINC001235145303 1054667122 /nfs/dbraw/zinc/66/71/22/1054667122.db2.gz SYGGRNCSRSPJBP-UHFFFAOYSA-N 1 3 320.527 4.298 20 0 DIADHO COC(C)(C)CCC[C@H](C)CC[N@H+]1CCCC[C@@]12CCCNC2 ZINC001235174776 1054672164 /nfs/dbraw/zinc/67/21/64/1054672164.db2.gz VIVSLHPODDICBH-ICSRJNTNSA-N 1 3 324.553 4.216 20 0 DIADHO COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCCC[C@@]12CCCNC2 ZINC001235174776 1054672158 /nfs/dbraw/zinc/67/21/58/1054672158.db2.gz VIVSLHPODDICBH-ICSRJNTNSA-N 1 3 324.553 4.216 20 0 DIADHO COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCCC[C@@]12CCCNC2 ZINC001235174777 1054673646 /nfs/dbraw/zinc/67/36/46/1054673646.db2.gz VIVSLHPODDICBH-QUCCMNQESA-N 1 3 324.553 4.216 20 0 DIADHO COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCCC[C@@]12CCCNC2 ZINC001235174777 1054673652 /nfs/dbraw/zinc/67/36/52/1054673652.db2.gz VIVSLHPODDICBH-QUCCMNQESA-N 1 3 324.553 4.216 20 0 DIADHO c1ccc2c(c1)sc1c2cccc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235193435 1054681637 /nfs/dbraw/zinc/68/16/37/1054681637.db2.gz LKKVPFTZHMJDLX-GDBMZVCRSA-N 1 3 322.477 4.096 20 0 DIADHO Cc1cc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)ccc1Cl ZINC001235231507 1054687725 /nfs/dbraw/zinc/68/77/25/1054687725.db2.gz ZHRHXGDXVOZKRX-GOSISDBHSA-N 1 3 306.881 4.003 20 0 DIADHO Cc1cc(Cl)cc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235237833 1054690296 /nfs/dbraw/zinc/69/02/96/1054690296.db2.gz MVPJDHDPLQPJEV-SFHVURJKSA-N 1 3 306.881 4.003 20 0 DIADHO c1ccc([C@H]2C[NH2+]C[C@]23CCN(CCCC2CCCC2)C3)cc1 ZINC001235380917 1054711876 /nfs/dbraw/zinc/71/18/76/1054711876.db2.gz XKYDKMIVEIEGAN-RTWAWAEBSA-N 1 3 312.501 4.036 20 0 DIADHO Cc1ccc(-c2cccc(CN3[C@@H]4CC[C@H]3C[C@@H]([NH3+])C4)c2)cc1 ZINC001235810908 1054812405 /nfs/dbraw/zinc/81/24/05/1054812405.db2.gz PNMHTZIOVXQVIM-WKCHPHFGSA-N 1 3 306.453 4.116 20 0 DIADHO Cc1cc(Oc2ccccc2)ccc1CN1CCC[C@H]1CC[NH3+] ZINC001235926283 1054851672 /nfs/dbraw/zinc/85/16/72/1054851672.db2.gz WJJVUPFDBOSMJK-SFHVURJKSA-N 1 3 310.441 4.101 20 0 DIADHO Cc1cccc(C)c1-c1cccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC001235943869 1054862334 /nfs/dbraw/zinc/86/23/34/1054862334.db2.gz ZONFUKXHMXWKDH-LEWJYISDSA-N 1 3 320.480 4.012 20 0 DIADHO CCN(Cc1cc2c(s1)C[NH2+]CC2)Cc1ccc(Cl)cc1 ZINC001235960324 1054871811 /nfs/dbraw/zinc/87/18/11/1054871811.db2.gz SFNYPEHECZAARL-UHFFFAOYSA-N 1 3 320.889 4.069 20 0 DIADHO Cc1cc(C[N@@H+]2C[C@H]3CC[C@]3(N)C2)cc(C)c1-c1ccc(F)cc1 ZINC001235989020 1054882792 /nfs/dbraw/zinc/88/27/92/1054882792.db2.gz BOAPPUYQQFHZBC-NQIIRXRSSA-N 1 3 324.443 4.033 20 0 DIADHO Cc1cc(C[N@H+]2C[C@H]3CC[C@]3(N)C2)cc(C)c1-c1ccc(F)cc1 ZINC001235989020 1054882804 /nfs/dbraw/zinc/88/28/04/1054882804.db2.gz BOAPPUYQQFHZBC-NQIIRXRSSA-N 1 3 324.443 4.033 20 0 DIADHO C[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1cc2ccccc2s1 ZINC000624124068 1054884511 /nfs/dbraw/zinc/88/45/11/1054884511.db2.gz WJNXXURORCEKFN-HUUCEWRRSA-N 1 3 302.487 4.284 20 0 DIADHO C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cc2ccccc2s1 ZINC000624124068 1054884522 /nfs/dbraw/zinc/88/45/22/1054884522.db2.gz WJNXXURORCEKFN-HUUCEWRRSA-N 1 3 302.487 4.284 20 0 DIADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(C(F)(F)F)c1 ZINC000624119757 1054884586 /nfs/dbraw/zinc/88/45/86/1054884586.db2.gz IWBWSSHDSOFLFM-ZIAGYGMSSA-N 1 3 314.395 4.088 20 0 DIADHO CN1CCCC[C@H](C[NH2+][C@H](c2cccnc2)C2CCCCC2)C1 ZINC000624123320 1054885196 /nfs/dbraw/zinc/88/51/96/1054885196.db2.gz JTXBEUAVZCJRFS-XLIONFOSSA-N 1 3 315.505 4.025 20 0 DIADHO C[NH2+]Cc1ccc(-c2cccc(CN3CCCCC3)c2F)cc1 ZINC001236015183 1054896288 /nfs/dbraw/zinc/89/62/88/1054896288.db2.gz LRDVGDYBQAVUKN-UHFFFAOYSA-N 1 3 312.432 4.198 20 0 DIADHO Fc1c(CN2CCCCC2)cccc1-c1cccc2c1C[NH2+]C2 ZINC001236016768 1054900075 /nfs/dbraw/zinc/90/00/75/1054900075.db2.gz VUYLTEQSMFEXFA-UHFFFAOYSA-N 1 3 310.416 4.082 20 0 DIADHO [NH3+]C1(c2ccccc2-c2cccc(CN3CCCCC3)c2F)CC1 ZINC001236017750 1054900439 /nfs/dbraw/zinc/90/04/39/1054900439.db2.gz LCCTXYFULSLDLA-UHFFFAOYSA-N 1 3 324.443 4.426 20 0 DIADHO c1ccc(SC2CCN(Cc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC001236091697 1054938979 /nfs/dbraw/zinc/93/89/79/1054938979.db2.gz ZFGVCWJHWUFGAX-UHFFFAOYSA-N 1 3 324.493 4.047 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C2(c3cccc(Cl)c3)CC2)CC1 ZINC000182261337 1054974438 /nfs/dbraw/zinc/97/44/38/1054974438.db2.gz ZWFRDSGEWZGWQN-UHFFFAOYSA-N 1 3 306.881 4.182 20 0 DIADHO CCC[N@H+](Cc1ccc2c(c1)Cc1ccccc1-2)C1CCNCC1 ZINC001236181773 1054982595 /nfs/dbraw/zinc/98/25/95/1054982595.db2.gz FFLAFONBCMDODS-UHFFFAOYSA-N 1 3 320.480 4.222 20 0 DIADHO CCC[N@@H+](Cc1ccc2c(c1)Cc1ccccc1-2)C1CCNCC1 ZINC001236181773 1054982608 /nfs/dbraw/zinc/98/26/08/1054982608.db2.gz FFLAFONBCMDODS-UHFFFAOYSA-N 1 3 320.480 4.222 20 0 DIADHO CCCN(Cc1ccc2c(c1)Cc1ccccc1-2)C1CC[NH2+]CC1 ZINC001236181773 1054982621 /nfs/dbraw/zinc/98/26/21/1054982621.db2.gz FFLAFONBCMDODS-UHFFFAOYSA-N 1 3 320.480 4.222 20 0 DIADHO c1[nH]c2ccccc2c1[C@@H]1CCCN1CCC[NH+]1CCCCC1 ZINC001236195244 1054994656 /nfs/dbraw/zinc/99/46/56/1054994656.db2.gz YXKMCAYWMMMCAF-FQEVSTJZSA-N 1 3 311.473 4.181 20 0 DIADHO C[N@H+](Cc1cccc(-c2ccsc2)c1)[C@@H]1CCCC[C@H]1N ZINC001236217584 1055004235 /nfs/dbraw/zinc/00/42/35/1055004235.db2.gz PFYXVDUEKROUID-QZTJIDSGSA-N 1 3 300.471 4.117 20 0 DIADHO C[N@@H+](Cc1cccc(-c2ccsc2)c1)[C@@H]1CCCC[C@H]1N ZINC001236217584 1055004248 /nfs/dbraw/zinc/00/42/48/1055004248.db2.gz PFYXVDUEKROUID-QZTJIDSGSA-N 1 3 300.471 4.117 20 0 DIADHO COc1ccc(-c2ccccc2)c(C[N@H+](C)[C@@H]2CCCC[C@H]2N)c1 ZINC001236215401 1055004930 /nfs/dbraw/zinc/00/49/30/1055004930.db2.gz HVBJAPFINJRSPR-NHCUHLMSSA-N 1 3 324.468 4.064 20 0 DIADHO COc1ccc(-c2ccccc2)c(C[N@@H+](C)[C@@H]2CCCC[C@H]2N)c1 ZINC001236215401 1055004946 /nfs/dbraw/zinc/00/49/46/1055004946.db2.gz HVBJAPFINJRSPR-NHCUHLMSSA-N 1 3 324.468 4.064 20 0 DIADHO CCN(CC[C@@H]1CCC[NH2+]C1)Cc1ccc(Cl)cc1Cl ZINC001236266461 1055043935 /nfs/dbraw/zinc/04/39/35/1055043935.db2.gz SKYDKCBUKOXGEY-ZDUSSCGKSA-N 1 3 315.288 4.205 20 0 DIADHO C[N@H+](Cc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCC[C@H]1N ZINC001236216582 1055005282 /nfs/dbraw/zinc/00/52/82/1055005282.db2.gz KLOKHJGJWXTOSC-WOJBJXKFSA-N 1 3 312.432 4.194 20 0 DIADHO C[N@@H+](Cc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCC[C@H]1N ZINC001236216582 1055005293 /nfs/dbraw/zinc/00/52/93/1055005293.db2.gz KLOKHJGJWXTOSC-WOJBJXKFSA-N 1 3 312.432 4.194 20 0 DIADHO C[N@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)[C@@H]1CCCC[C@@H]1N ZINC001236219108 1055011385 /nfs/dbraw/zinc/01/13/85/1055011385.db2.gz ULTHBRUYULGZTL-FUHWJXTLSA-N 1 3 313.489 4.167 20 0 DIADHO C[N@@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)[C@@H]1CCCC[C@@H]1N ZINC001236219108 1055011399 /nfs/dbraw/zinc/01/13/99/1055011399.db2.gz ULTHBRUYULGZTL-FUHWJXTLSA-N 1 3 313.489 4.167 20 0 DIADHO Cc1csc2sc(CN(C)C3(C)CC[NH2+]CC3)c(C)c12 ZINC001236225683 1055016432 /nfs/dbraw/zinc/01/64/32/1055016432.db2.gz BMBJUAUVGYRPID-UHFFFAOYSA-N 1 3 308.516 4.154 20 0 DIADHO Cc1csc2sc(C[N@@H+](C)C3(C)CCNCC3)c(C)c12 ZINC001236225683 1055016444 /nfs/dbraw/zinc/01/64/44/1055016444.db2.gz BMBJUAUVGYRPID-UHFFFAOYSA-N 1 3 308.516 4.154 20 0 DIADHO Cc1csc2sc(C[N@H+](C)C3(C)CCNCC3)c(C)c12 ZINC001236225683 1055016452 /nfs/dbraw/zinc/01/64/52/1055016452.db2.gz BMBJUAUVGYRPID-UHFFFAOYSA-N 1 3 308.516 4.154 20 0 DIADHO Cc1ccc(-c2cccc(C[N@@H+](C)C3(C)CCNCC3)c2)cc1 ZINC001236225660 1055017219 /nfs/dbraw/zinc/01/72/19/1055017219.db2.gz AMCYCRMABVEDHN-UHFFFAOYSA-N 1 3 308.469 4.236 20 0 DIADHO Cc1ccc(-c2cccc(C[N@H+](C)C3(C)CCNCC3)c2)cc1 ZINC001236225660 1055017228 /nfs/dbraw/zinc/01/72/28/1055017228.db2.gz AMCYCRMABVEDHN-UHFFFAOYSA-N 1 3 308.469 4.236 20 0 DIADHO Cc1ccc(-c2cccc(CN(C)C3(C)CC[NH2+]CC3)c2)cc1 ZINC001236225660 1055017240 /nfs/dbraw/zinc/01/72/40/1055017240.db2.gz AMCYCRMABVEDHN-UHFFFAOYSA-N 1 3 308.469 4.236 20 0 DIADHO C[C@H]([NH3+])c1ccccc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001236251589 1055035390 /nfs/dbraw/zinc/03/53/90/1055035390.db2.gz RPYWGIQQLDRSGX-HNNXBMFYSA-N 1 3 312.432 4.498 20 0 DIADHO C[C@@H]([NH3+])c1ccc(-c2ccc(CN3CCCCC3)c(F)c2)cc1 ZINC001236251069 1055035564 /nfs/dbraw/zinc/03/55/64/1055035564.db2.gz LQDYMNFLLSRTOA-OAHLLOKOSA-N 1 3 312.432 4.498 20 0 DIADHO [NH3+][C@H]1CCc2ccc(-c3ccc(CN4CCCCC4)c(F)c3)cc21 ZINC001236257424 1055039029 /nfs/dbraw/zinc/03/90/29/1055039029.db2.gz DOAHMONEFHCBTA-NRFANRHFSA-N 1 3 324.443 4.425 20 0 DIADHO C[C@@H]([NH3+])c1ccccc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001236259137 1055041010 /nfs/dbraw/zinc/04/10/10/1055041010.db2.gz RPYWGIQQLDRSGX-OAHLLOKOSA-N 1 3 312.432 4.498 20 0 DIADHO CCN(Cc1ccc(Cl)cc1Cl)CC1(C)CC[NH2+]CC1 ZINC001236267084 1055045391 /nfs/dbraw/zinc/04/53/91/1055045391.db2.gz YORNTKOHYURYDV-UHFFFAOYSA-N 1 3 315.288 4.205 20 0 DIADHO Fc1cccc(CCC[N@H+](C[C@H]2CCCNC2)C2CCCC2)c1 ZINC001236370449 1055077352 /nfs/dbraw/zinc/07/73/52/1055077352.db2.gz FXZIWLUQZJLJJH-SFHVURJKSA-N 1 3 318.480 4.003 20 0 DIADHO Fc1cccc(CCC[N@@H+](C[C@H]2CCCNC2)C2CCCC2)c1 ZINC001236370449 1055077365 /nfs/dbraw/zinc/07/73/65/1055077365.db2.gz FXZIWLUQZJLJJH-SFHVURJKSA-N 1 3 318.480 4.003 20 0 DIADHO CC1=C[C@H](C)[C@H](C[N@H+](C[C@@H]2CCCNC2)C2CCCC2)CC1 ZINC001236372593 1055079287 /nfs/dbraw/zinc/07/92/87/1055079287.db2.gz QPURLUCQEAZENY-OTWHNJEPSA-N 1 3 304.522 4.223 20 0 DIADHO CC1=C[C@H](C)[C@H](C[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)CC1 ZINC001236372593 1055079297 /nfs/dbraw/zinc/07/92/97/1055079297.db2.gz QPURLUCQEAZENY-OTWHNJEPSA-N 1 3 304.522 4.223 20 0 DIADHO Clc1cccc(CC[N@H+](C[C@H]2CCCNC2)C2CCCC2)c1 ZINC001236373480 1055080835 /nfs/dbraw/zinc/08/08/35/1055080835.db2.gz XJRYYWSPJATHBA-KRWDZBQOSA-N 1 3 320.908 4.127 20 0 DIADHO Clc1cccc(CC[N@@H+](C[C@H]2CCCNC2)C2CCCC2)c1 ZINC001236373480 1055080843 /nfs/dbraw/zinc/08/08/43/1055080843.db2.gz XJRYYWSPJATHBA-KRWDZBQOSA-N 1 3 320.908 4.127 20 0 DIADHO C[C@@H]([NH2+]CCCc1cccc(F)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000185755492 1055096828 /nfs/dbraw/zinc/09/68/28/1055096828.db2.gz PXVHMGZPXPNHIT-AEFFLSMTSA-N 1 3 318.480 4.001 20 0 DIADHO CCN(Cc1cccc(-c2ccc(C)cc2)c1)C[C@@H]1CC[NH2+]C1 ZINC001236408131 1055099341 /nfs/dbraw/zinc/09/93/41/1055099341.db2.gz LGIRKRUYIBTLJK-LJQANCHMSA-N 1 3 308.469 4.093 20 0 DIADHO CCN(Cc1ccc(C2CCCCC2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236412106 1055101876 /nfs/dbraw/zinc/10/18/76/1055101876.db2.gz QVKLFHZNWFOZDZ-GOSISDBHSA-N 1 3 300.490 4.166 20 0 DIADHO C[C@@H]1[C@H](N)CCC[N@@H+]1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001236419167 1055104942 /nfs/dbraw/zinc/10/49/42/1055104942.db2.gz HBXFWYBPMLLPMA-DNVCBOLYSA-N 1 3 319.452 4.147 20 0 DIADHO C[C@@H]1[C@H](N)CCC[N@H+]1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001236419167 1055104947 /nfs/dbraw/zinc/10/49/47/1055104947.db2.gz HBXFWYBPMLLPMA-DNVCBOLYSA-N 1 3 319.452 4.147 20 0 DIADHO Clc1ccc(CN(CCC2CCCC2)C2CC[NH2+]CC2)cc1 ZINC001236453573 1055122703 /nfs/dbraw/zinc/12/27/03/1055122703.db2.gz SNEBYLPADNKGKP-UHFFFAOYSA-N 1 3 320.908 4.474 20 0 DIADHO Clc1ccc(C[N@H+](CCC2CCCC2)C2CCNCC2)cc1 ZINC001236453573 1055122707 /nfs/dbraw/zinc/12/27/07/1055122707.db2.gz SNEBYLPADNKGKP-UHFFFAOYSA-N 1 3 320.908 4.474 20 0 DIADHO Clc1ccc(C[N@@H+](CCC2CCCC2)C2CCNCC2)cc1 ZINC001236453573 1055122712 /nfs/dbraw/zinc/12/27/12/1055122712.db2.gz SNEBYLPADNKGKP-UHFFFAOYSA-N 1 3 320.908 4.474 20 0 DIADHO CC/C=C\CCN(Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236453263 1055122726 /nfs/dbraw/zinc/12/27/26/1055122726.db2.gz ORMLPHLXESPFKB-ARJAWSKDSA-N 1 3 306.881 4.250 20 0 DIADHO CC/C=C\CC[N@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236453263 1055122732 /nfs/dbraw/zinc/12/27/32/1055122732.db2.gz ORMLPHLXESPFKB-ARJAWSKDSA-N 1 3 306.881 4.250 20 0 DIADHO CC/C=C\CC[N@@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236453263 1055122738 /nfs/dbraw/zinc/12/27/38/1055122738.db2.gz ORMLPHLXESPFKB-ARJAWSKDSA-N 1 3 306.881 4.250 20 0 DIADHO Cc1cc(F)cc(CN(CCC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236481331 1055138561 /nfs/dbraw/zinc/13/85/61/1055138561.db2.gz REUXYLPQOPVADR-UHFFFAOYSA-N 1 3 306.469 4.124 20 0 DIADHO Cc1cc(F)cc(C[N@H+](CCC(C)(C)C)C2CCNCC2)c1 ZINC001236481331 1055138568 /nfs/dbraw/zinc/13/85/68/1055138568.db2.gz REUXYLPQOPVADR-UHFFFAOYSA-N 1 3 306.469 4.124 20 0 DIADHO Cc1cc(F)cc(C[N@@H+](CCC(C)(C)C)C2CCNCC2)c1 ZINC001236481331 1055138572 /nfs/dbraw/zinc/13/85/72/1055138572.db2.gz REUXYLPQOPVADR-UHFFFAOYSA-N 1 3 306.469 4.124 20 0 DIADHO Cc1ccc(F)cc1CN(CCCC(C)C)C1CC[NH2+]CC1 ZINC001236508857 1055152820 /nfs/dbraw/zinc/15/28/20/1055152820.db2.gz DVTKAASIXLDXNZ-UHFFFAOYSA-N 1 3 306.469 4.124 20 0 DIADHO C[C@H](C[N@H+](C[C@H]1CCCNC1)C1CC1)c1cccc2ccccc21 ZINC001236584443 1055198486 /nfs/dbraw/zinc/19/84/86/1055198486.db2.gz CFEIUCBSEKADME-MSOLQXFVSA-N 1 3 322.496 4.407 20 0 DIADHO C[C@H](C[N@@H+](C[C@H]1CCCNC1)C1CC1)c1cccc2ccccc21 ZINC001236584443 1055198500 /nfs/dbraw/zinc/19/85/00/1055198500.db2.gz CFEIUCBSEKADME-MSOLQXFVSA-N 1 3 322.496 4.407 20 0 DIADHO C[C@H](CN(C[C@H]1CCC[NH2+]C1)C1CC1)c1cccc2ccccc21 ZINC001236584443 1055198509 /nfs/dbraw/zinc/19/85/09/1055198509.db2.gz CFEIUCBSEKADME-MSOLQXFVSA-N 1 3 322.496 4.407 20 0 DIADHO Cc1c2ccccc2sc1C[N@H+](C1CCC1)C1CCNCC1 ZINC001236634717 1055209959 /nfs/dbraw/zinc/20/99/59/1055209959.db2.gz WBAXDXGLJXWLKU-UHFFFAOYSA-N 1 3 314.498 4.316 20 0 DIADHO Cc1c2ccccc2sc1C[N@@H+](C1CCC1)C1CCNCC1 ZINC001236634717 1055209968 /nfs/dbraw/zinc/20/99/68/1055209968.db2.gz WBAXDXGLJXWLKU-UHFFFAOYSA-N 1 3 314.498 4.316 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[N@H+](CCC)C[C@@H]1CCCNC1 ZINC001236661304 1055217919 /nfs/dbraw/zinc/21/79/19/1055217919.db2.gz BVQPSAYSCDWCNE-UXHICEINSA-N 1 3 302.506 4.109 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)C[C@@H]1CCCNC1 ZINC001236661304 1055217932 /nfs/dbraw/zinc/21/79/32/1055217932.db2.gz BVQPSAYSCDWCNE-UXHICEINSA-N 1 3 302.506 4.109 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc2ccoc21 ZINC001236734894 1055242984 /nfs/dbraw/zinc/24/29/84/1055242984.db2.gz GCPFCXGNYUOGHG-RBUKOAKNSA-N 1 3 312.457 4.272 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc2ccoc21 ZINC001236734894 1055242996 /nfs/dbraw/zinc/24/29/96/1055242996.db2.gz GCPFCXGNYUOGHG-RBUKOAKNSA-N 1 3 312.457 4.272 20 0 DIADHO CCC(CC)[N@H+](Cc1cc([O-])cc(Cl)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782161 1055257287 /nfs/dbraw/zinc/25/72/87/1055257287.db2.gz PKAQXVQMDBENFN-JCNLHEQBSA-N 1 3 324.896 4.306 20 0 DIADHO CCC(CC)[N@@H+](Cc1cc([O-])cc(Cl)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782161 1055257293 /nfs/dbraw/zinc/25/72/93/1055257293.db2.gz PKAQXVQMDBENFN-JCNLHEQBSA-N 1 3 324.896 4.306 20 0 DIADHO CCCCCCc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)s1 ZINC001236828993 1055278680 /nfs/dbraw/zinc/27/86/80/1055278680.db2.gz JTWNWSUQFPLHLA-WBAXXEDZSA-N 1 3 306.519 4.040 20 0 DIADHO CCCN(Cc1cccc(Oc2ccccc2)c1)C[C@@H]1CC[NH2+]C1 ZINC001236835654 1055285053 /nfs/dbraw/zinc/28/50/53/1055285053.db2.gz OOJQSPMSMJGTMG-LJQANCHMSA-N 1 3 324.468 4.300 20 0 DIADHO CCCN(Cc1sc2scc(C)c2c1C)C[C@@H]1CC[NH2+]C1 ZINC001236843090 1055290259 /nfs/dbraw/zinc/29/02/59/1055290259.db2.gz KWYQUTVPEICSCS-CQSZACIVSA-N 1 3 322.543 4.401 20 0 DIADHO C[C@@]1(C[NH3+])CCCN(Cc2ccccc2CCc2ccccc2)C1 ZINC001237080227 1055363300 /nfs/dbraw/zinc/36/33/00/1055363300.db2.gz FWHFIQIIEPYBKK-QFIPXVFZSA-N 1 3 322.496 4.033 20 0 DIADHO CCCC[NH+]1CCC(N(C)Cc2ccc3cccccc2-3)CC1 ZINC001237186407 1055395164 /nfs/dbraw/zinc/39/51/64/1055395164.db2.gz ZONBGDKXDGYNQT-UHFFFAOYSA-N 1 3 310.485 4.488 20 0 DIADHO CC1=CC[C@H](CC[N@@H+]2Cc3ccccc3C23CCNCC3)C1(C)C ZINC001237300968 1055420271 /nfs/dbraw/zinc/42/02/71/1055420271.db2.gz RWGKIESPAYYHQB-LJQANCHMSA-N 1 3 324.512 4.463 20 0 DIADHO CC1=CC[C@H](CC[N@H+]2Cc3ccccc3C23CCNCC3)C1(C)C ZINC001237300968 1055420274 /nfs/dbraw/zinc/42/02/74/1055420274.db2.gz RWGKIESPAYYHQB-LJQANCHMSA-N 1 3 324.512 4.463 20 0 DIADHO c1ccc2c(c1)oc1c2cccc1CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237390434 1055445266 /nfs/dbraw/zinc/44/52/66/1055445266.db2.gz IEGCZEBKEGUAAD-BEFAXECRSA-N 1 3 320.436 4.160 20 0 DIADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(F)c(-c4ccccc4)c3)C2)C1 ZINC001238547976 1055683183 /nfs/dbraw/zinc/68/31/83/1055683183.db2.gz GJDRKLRFTCPTMD-OAQYLSRUSA-N 1 3 324.443 4.020 20 0 DIADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(F)c(-c4ccccc4)c3)C2)C1 ZINC001238547976 1055683189 /nfs/dbraw/zinc/68/31/89/1055683189.db2.gz GJDRKLRFTCPTMD-OAQYLSRUSA-N 1 3 324.443 4.020 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2cc(C)cc(SC)c2)CC1 ZINC001238689679 1055722943 /nfs/dbraw/zinc/72/29/43/1055722943.db2.gz LUCXPIZOJRUIQC-UHFFFAOYSA-N 1 3 320.546 4.413 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2cc(C)cc(SC)c2)CC1 ZINC001238689679 1055722955 /nfs/dbraw/zinc/72/29/55/1055722955.db2.gz LUCXPIZOJRUIQC-UHFFFAOYSA-N 1 3 320.546 4.413 20 0 DIADHO CCN(CC)Cc1ccc(-c2ccccc2C[NH+](C)C)cc1F ZINC001239685334 1056028012 /nfs/dbraw/zinc/02/80/12/1056028012.db2.gz GZFGFBFLBGXGIP-UHFFFAOYSA-N 1 3 314.448 4.396 20 0 DIADHO C[N@@H+]1CCC[C@H]1CCN[C@@H](CCc1ccccc1)c1ccccc1 ZINC001168605021 1056056680 /nfs/dbraw/zinc/05/66/80/1056056680.db2.gz VDYSAIFLBPJPOA-VXKWHMMOSA-N 1 3 322.496 4.434 20 0 DIADHO C[N@H+]1CCC[C@H]1CCN[C@@H](CCc1ccccc1)c1ccccc1 ZINC001168605021 1056056713 /nfs/dbraw/zinc/05/67/13/1056056713.db2.gz VDYSAIFLBPJPOA-VXKWHMMOSA-N 1 3 322.496 4.434 20 0 DIADHO CN1CCC[C@H]1CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC001168605021 1056056717 /nfs/dbraw/zinc/05/67/17/1056056717.db2.gz VDYSAIFLBPJPOA-VXKWHMMOSA-N 1 3 322.496 4.434 20 0 DIADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2cccc(C3CCCC3)c2)C1 ZINC001620818833 1056101100 /nfs/dbraw/zinc/10/11/00/1056101100.db2.gz HCXDETZPHKAPBP-PMACEKPBSA-N 1 3 300.490 4.307 20 0 DIADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)C1 ZINC001620819088 1056107410 /nfs/dbraw/zinc/10/74/10/1056107410.db2.gz MCQVSTCMAJXPGJ-RTWAWAEBSA-N 1 3 308.469 4.316 20 0 DIADHO CC(C)N(C)CCC[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474463234 1056313147 /nfs/dbraw/zinc/31/31/47/1056313147.db2.gz BONGSCURARTRQG-WLYUNCDWSA-N 1 3 308.432 4.064 20 0 DIADHO CN(C)CC1(C[NH2+][C@H]2CCSc3c(F)cccc32)CCCC1 ZINC000355052826 1056610776 /nfs/dbraw/zinc/61/07/76/1056610776.db2.gz ABCITJGSZOXFHO-INIZCTEOSA-N 1 3 322.493 4.074 20 0 DIADHO CC(C)c1ccc([C@H](C)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001616346431 1056639457 /nfs/dbraw/zinc/63/94/57/1056639457.db2.gz IVPWYILMMPQQNS-KRWDZBQOSA-N 1 3 309.457 4.088 20 0 DIADHO CCc1c(C)cc(-c2ccccc2CN2CCC([NH3+])CC2)cc1C ZINC001240741135 1056672115 /nfs/dbraw/zinc/67/21/15/1056672115.db2.gz UVSWGUQDGUTJLB-UHFFFAOYSA-N 1 3 322.496 4.456 20 0 DIADHO CC[N@H+](CCC1CCN(Cc2ccccc2F)CC1)CC1CC1 ZINC001616570338 1056679688 /nfs/dbraw/zinc/67/96/88/1056679688.db2.gz RGSFYMCAFVYJGC-UHFFFAOYSA-N 1 3 318.480 4.160 20 0 DIADHO CC[N@@H+](CCC1CCN(Cc2ccccc2F)CC1)CC1CC1 ZINC001616570338 1056679694 /nfs/dbraw/zinc/67/96/94/1056679694.db2.gz RGSFYMCAFVYJGC-UHFFFAOYSA-N 1 3 318.480 4.160 20 0 DIADHO Fc1ccc(C2CC[NH+](CCCN3CCCCC3)CC2)cc1F ZINC000682027917 1056881786 /nfs/dbraw/zinc/88/17/86/1056881786.db2.gz NEXLWIGGKCSDHN-UHFFFAOYSA-N 1 3 322.443 4.020 20 0 DIADHO CN(C)CC(C)(C)C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000359367736 1057007217 /nfs/dbraw/zinc/00/72/17/1057007217.db2.gz DUVZLIJYRCBTRH-CQSZACIVSA-N 1 3 312.910 4.054 20 0 DIADHO C[N@H+]1CC=C(c2ccc(C(F)(F)F)cc2CN2CCCC2)CC1 ZINC001241332984 1057017773 /nfs/dbraw/zinc/01/77/73/1057017773.db2.gz OAHGSHCAJJTRIG-UHFFFAOYSA-N 1 3 324.390 4.020 20 0 DIADHO C[N@@H+]1CC=C(c2ccc(C(F)(F)F)cc2CN2CCCC2)CC1 ZINC001241332984 1057017775 /nfs/dbraw/zinc/01/77/75/1057017775.db2.gz OAHGSHCAJJTRIG-UHFFFAOYSA-N 1 3 324.390 4.020 20 0 DIADHO CCCC[NH+]1CCC(N(C)[C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168743207 1057137571 /nfs/dbraw/zinc/13/75/71/1057137571.db2.gz JYBSCCIBOGWGCR-KRWDZBQOSA-N 1 3 320.908 4.004 20 0 DIADHO CCN(CC)Cc1cccc(-c2ccc(C[NH2+]C)cc2)c1F ZINC001242993325 1057539342 /nfs/dbraw/zinc/53/93/42/1057539342.db2.gz NZBWJTVZBNLEQU-UHFFFAOYSA-N 1 3 300.421 4.054 20 0 DIADHO Fc1ccc2c(c1)[C@@H](NCc1ccc(C[NH+]3CCCC3)cc1)CC2 ZINC000174983899 1057699905 /nfs/dbraw/zinc/69/99/05/1057699905.db2.gz BZNDNHVXMYZFEA-NRFANRHFSA-N 1 3 324.443 4.199 20 0 DIADHO c1ccc([C@@H]2C[C@H](N[C@@H](c3ccncc3)C3CCC3)CC[NH2+]2)cc1 ZINC001550351849 1058340013 /nfs/dbraw/zinc/34/00/13/1058340013.db2.gz SLDUAVMSHINFEF-QHAWAJNXSA-N 1 3 321.468 4.006 20 0 DIADHO Clc1cccc(Cl)c1CN[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246073951 1058663525 /nfs/dbraw/zinc/66/35/25/1058663525.db2.gz MAVZHVRZRMBQNY-GFCCVEGCSA-N 1 3 313.272 4.005 20 0 DIADHO c1ccc(C[C@@H]2C[C@@H](N[C@H](c3ccccc3)C3CC3)CC[NH2+]2)cc1 ZINC001246082350 1058671752 /nfs/dbraw/zinc/67/17/52/1058671752.db2.gz VSPHHQMOESULDM-BHDDXSALSA-N 1 3 320.480 4.091 20 0 DIADHO c1ccc(C[C@@H]2C[C@@H]([NH2+][C@H](c3ccccc3)C3CC3)CCN2)cc1 ZINC001246082350 1058671765 /nfs/dbraw/zinc/67/17/65/1058671765.db2.gz VSPHHQMOESULDM-BHDDXSALSA-N 1 3 320.480 4.091 20 0 DIADHO Clc1ccc(C2CCC(N[C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246091370 1058675302 /nfs/dbraw/zinc/67/53/02/1058675302.db2.gz PQBXBVDPFHZONN-VMWRSERWSA-N 1 3 306.881 4.098 20 0 DIADHO C[C@H]1C[C@@H]([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)CCN1 ZINC001246112329 1058681251 /nfs/dbraw/zinc/68/12/51/1058681251.db2.gz RGIIVEGENSFFOW-HKFAYQRXSA-N 1 3 306.881 4.096 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)N[C@@H]1C[NH2+]CC[C@H]1C ZINC001246119932 1058683508 /nfs/dbraw/zinc/68/35/08/1058683508.db2.gz XYBUIWYEHOGWSK-JBYIUTFZSA-N 1 3 322.496 4.185 20 0 DIADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Oc3ccccc3)cc2)C[C@H](C)N1 ZINC001246160415 1058701436 /nfs/dbraw/zinc/70/14/36/1058701436.db2.gz SXRSEAPSPUFMQY-IZZQQSIFSA-N 1 3 324.468 4.140 20 0 DIADHO CC1(C)C[C@@H]([NH2+]CCc2ccc(-c3ccccc3)cc2)CCN1 ZINC001246162862 1058706889 /nfs/dbraw/zinc/70/68/89/1058706889.db2.gz ISSOPFSRKUZIGH-FQEVSTJZSA-N 1 3 308.469 4.016 20 0 DIADHO CC(C)c1ccc(C[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246163026 1058707732 /nfs/dbraw/zinc/70/77/32/1058707732.db2.gz VAZZZPSHNQSIDH-FCHUYYIVSA-N 1 3 322.496 4.263 20 0 DIADHO CC[C@@H]1C[C@H](NC2(c3ccccc3)CCCC2)C[C@H](CC)[NH2+]1 ZINC001246178834 1058723638 /nfs/dbraw/zinc/72/36/38/1058723638.db2.gz KLEVAMDIPMOBRE-BWTSREIZSA-N 1 3 300.490 4.355 20 0 DIADHO CCC(CC)(N[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)c1ccccc1 ZINC001246186249 1058732046 /nfs/dbraw/zinc/73/20/46/1058732046.db2.gz YHQXIJFHFUMMFK-QZTJIDSGSA-N 1 3 302.506 4.458 20 0 DIADHO CC1(C)C[C@H](NC2(c3ccccc3)CCCCCC2)CC[NH2+]1 ZINC001246192861 1058733181 /nfs/dbraw/zinc/73/31/81/1058733181.db2.gz CWIKEJLBRSLFFU-GOSISDBHSA-N 1 3 300.490 4.356 20 0 DIADHO CC1(C)C[C@H]([NH2+]C2(c3ccccc3)CCCCCC2)CCN1 ZINC001246192861 1058733200 /nfs/dbraw/zinc/73/32/00/1058733200.db2.gz CWIKEJLBRSLFFU-GOSISDBHSA-N 1 3 300.490 4.356 20 0 DIADHO CC(C)(Cc1ccc2ccccc2c1)[NH2+][C@H]1CCNC(C)(C)C1 ZINC001246191880 1058733409 /nfs/dbraw/zinc/73/34/09/1058733409.db2.gz RIICAFDQUCTKJL-IBGZPJMESA-N 1 3 310.485 4.281 20 0 DIADHO C[C@@H]1CC(NC2(c3ccccc3)CCCCCC2)C[C@@H](C)[NH2+]1 ZINC001246193478 1058734510 /nfs/dbraw/zinc/73/45/10/1058734510.db2.gz FSGHKSFCZGBJGO-IAGOWNOFSA-N 1 3 300.490 4.355 20 0 DIADHO C[C@@H]1CC([NH2+]C2(c3ccccc3)CCCCCC2)C[C@@H](C)N1 ZINC001246193478 1058734532 /nfs/dbraw/zinc/73/45/32/1058734532.db2.gz FSGHKSFCZGBJGO-IAGOWNOFSA-N 1 3 300.490 4.355 20 0 DIADHO CC(C)(Cc1ccc2ccccc2c1)[NH2+][C@@H]1CCNC(C)(C)C1 ZINC001246191881 1058735062 /nfs/dbraw/zinc/73/50/62/1058735062.db2.gz RIICAFDQUCTKJL-LJQANCHMSA-N 1 3 310.485 4.281 20 0 DIADHO C[C@H]1CC([NH2+]C(C)(C)Cc2ccc3ccccc3c2)C[C@H](C)N1 ZINC001246190531 1058735622 /nfs/dbraw/zinc/73/56/22/1058735622.db2.gz FSULDEPCYBVETA-HOTGVXAUSA-N 1 3 310.485 4.280 20 0 DIADHO Cc1cc(F)cc(C)c1CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246201071 1058742321 /nfs/dbraw/zinc/74/23/21/1058742321.db2.gz UKLOTLWBZMTELK-QUCCMNQESA-N 1 3 312.432 4.025 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H](NCCc2ccc3ccccc3c2)CC[NH2+]1 ZINC001246231727 1058752574 /nfs/dbraw/zinc/75/25/74/1058752574.db2.gz DPFLEGZNJNIRJF-PMACEKPBSA-N 1 3 310.485 4.139 20 0 DIADHO COc1ccc(C(C)(C)N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001246230513 1058754981 /nfs/dbraw/zinc/75/49/81/1058754981.db2.gz BUCKFALNRAHUKJ-ICSRJNTNSA-N 1 3 324.468 4.013 20 0 DIADHO C=Cc1ccc(CN[C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)cc1 ZINC001246233816 1058758272 /nfs/dbraw/zinc/75/82/72/1058758272.db2.gz FFSKCOSSVKZZET-FPOVZHCZSA-N 1 3 324.443 4.360 20 0 DIADHO C[C@@H]1C[C@@H]([NH2+]CCC(c2ccccc2)c2ccccc2)C[C@H](C)N1 ZINC001246236596 1058762290 /nfs/dbraw/zinc/76/22/90/1058762290.db2.gz XKCWQYSOUHXGDM-RMFSNUHRSA-N 1 3 322.496 4.327 20 0 DIADHO CCCC[C@H]1C[C@H](NCC2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246241380 1058765150 /nfs/dbraw/zinc/76/51/50/1058765150.db2.gz WSXJCQGVSWMOQF-ZWKOTPCHSA-N 1 3 320.908 4.272 20 0 DIADHO C[C@H](Cc1ccc(Cl)cc1Cl)NCC[C@H]1CCCC[NH2+]1 ZINC001246244084 1058765770 /nfs/dbraw/zinc/76/57/70/1058765770.db2.gz KKMABPVYVBFGBL-IUODEOHRSA-N 1 3 315.288 4.046 20 0 DIADHO OCCCCCCCCCCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246269622 1058783763 /nfs/dbraw/zinc/78/37/63/1058783763.db2.gz CKWRNQXGXOBXEY-PMOLBWCYSA-N 1 3 324.553 4.142 20 0 DIADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246273790 1058786738 /nfs/dbraw/zinc/78/67/38/1058786738.db2.gz VRNKLLPNIFYCQM-YSIASYRMSA-N 1 3 308.469 4.009 20 0 DIADHO CC[C@@H]1CC(N[C@@H](c2ccccc2)C2CCC2)C[C@@H](CC)[NH2+]1 ZINC001246286951 1058802720 /nfs/dbraw/zinc/80/27/20/1058802720.db2.gz IWZZMRXNSKHALX-GGPKGHCWSA-N 1 3 300.490 4.427 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H](N[C@H](c2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246294565 1058806631 /nfs/dbraw/zinc/80/66/31/1058806631.db2.gz XHUXQWKQTKHOGT-GBESFXJTSA-N 1 3 300.490 4.284 20 0 DIADHO C[C@H](NC1CCC2(CCC[NH2+]C2)CC1)c1c(F)cccc1Cl ZINC001246297417 1058806953 /nfs/dbraw/zinc/80/69/53/1058806953.db2.gz NELBBOPTWDDFIX-VNSJNIRKSA-N 1 3 324.871 4.442 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CCN1 ZINC001246303494 1058810436 /nfs/dbraw/zinc/81/04/36/1058810436.db2.gz IKDATFRYXAGWGX-CEXWTWQISA-N 1 3 320.908 4.098 20 0 DIADHO CC[C@H]1CC(NC(C)(C)Cc2ccccc2F)C[C@H](CC)[NH2+]1 ZINC001246311089 1058819319 /nfs/dbraw/zinc/81/93/19/1058819319.db2.gz RPMQXFXUJKQOPK-HOTGVXAUSA-N 1 3 306.469 4.046 20 0 DIADHO Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246318390 1058829892 /nfs/dbraw/zinc/82/98/92/1058829892.db2.gz SYYPMDHSLMMFEH-JBACZVJFSA-N 1 3 322.496 4.317 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001246325280 1058832745 /nfs/dbraw/zinc/83/27/45/1058832745.db2.gz ITWFCPKBJQSBDW-XHBSWPGZSA-N 1 3 315.288 4.045 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)N[C@H]1CCC[NH2+][C@@H]1C ZINC001246324902 1058833403 /nfs/dbraw/zinc/83/34/03/1058833403.db2.gz HMVHYIVWHSVUGD-HMFYCAOWSA-N 1 3 322.496 4.327 20 0 DIADHO C[C@@H](CC(C)(C)SCc1ccco1)N[C@@H]1C[NH2+]CCC1(C)C ZINC001246324791 1058833935 /nfs/dbraw/zinc/83/39/35/1058833935.db2.gz GKLKUECVLRALBR-GOEBONIOSA-N 1 3 324.534 4.048 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246335020 1058841450 /nfs/dbraw/zinc/84/14/50/1058841450.db2.gz WKLDQYAGMJRVKM-VNTMZGSJSA-N 1 3 300.490 4.051 20 0 DIADHO C[C@H](CSc1ccc(Cl)cc1)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246330569 1058842089 /nfs/dbraw/zinc/84/20/89/1058842089.db2.gz CUABWYYVBAEJCH-OJLVUWQFSA-N 1 3 324.921 4.083 20 0 DIADHO CCCC(CCC)NC1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001246334843 1058844402 /nfs/dbraw/zinc/84/44/02/1058844402.db2.gz FLVQWLHWIGKXGY-UHFFFAOYSA-N 1 3 308.897 4.477 20 0 DIADHO CC[C@H](C)C[C@H](CC)NC1(c2ccc(F)cc2)CC[NH2+]CC1 ZINC001246337389 1058847650 /nfs/dbraw/zinc/84/76/50/1058847650.db2.gz SHSYLOXSJYNUSA-YJBOKZPZSA-N 1 3 306.469 4.209 20 0 DIADHO CCC1CCC(NC2(c3ccc(Cl)cc3)CC[NH2+]CC2)CC1 ZINC001246337318 1058848060 /nfs/dbraw/zinc/84/80/60/1058848060.db2.gz RKKAMCPRMUBTCA-UHFFFAOYSA-N 1 3 320.908 4.477 20 0 DIADHO CC[C@H](C[C@@H](C)CC)NC1(c2ccc(F)cc2)CC[NH2+]CC1 ZINC001246337386 1058848359 /nfs/dbraw/zinc/84/83/59/1058848359.db2.gz SHSYLOXSJYNUSA-MAUKXSAKSA-N 1 3 306.469 4.209 20 0 DIADHO CC[C@@H](C)C[C@H](CC)NC1(c2ccc(F)cc2)CC[NH2+]CC1 ZINC001246337388 1058848438 /nfs/dbraw/zinc/84/84/38/1058848438.db2.gz SHSYLOXSJYNUSA-QAPCUYQASA-N 1 3 306.469 4.209 20 0 DIADHO CCCCC(CCCC)[NH2+]C[C@@H]1CCN[C@@H]1c1cccnc1 ZINC001246340690 1058849701 /nfs/dbraw/zinc/84/97/01/1058849701.db2.gz MVGXFFIAFUOJDU-PKOBYXMFSA-N 1 3 303.494 4.071 20 0 DIADHO C[C@@H]1CC[C@H](NC2(c3ccc(Cl)cc3)CC[NH2+]CC2)C[C@@H]1C ZINC001246341938 1058852353 /nfs/dbraw/zinc/85/23/53/1058852353.db2.gz QIMUHWNLZVUXCK-VKJFTORMSA-N 1 3 320.908 4.333 20 0 DIADHO CC[C@@H]1C[C@@H](NCCc2ccc(C(C)C)cc2)C[C@H](CC)[NH2+]1 ZINC001246342099 1058852607 /nfs/dbraw/zinc/85/26/07/1058852607.db2.gz FQIIAKXOKFYKMP-ACDBMABISA-N 1 3 302.506 4.251 20 0 DIADHO CC[C@@H]1C[C@H](NCCc2ccc(C(C)C)cc2)C[C@H](CC)[NH2+]1 ZINC001246342101 1058853046 /nfs/dbraw/zinc/85/30/46/1058853046.db2.gz FQIIAKXOKFYKMP-PMOLBWCYSA-N 1 3 302.506 4.251 20 0 DIADHO C[C@H]1C[C@H](NC2(c3ccc(Cl)cc3)CC[NH2+]CC2)C[C@@H](C)C1 ZINC001246342966 1058853862 /nfs/dbraw/zinc/85/38/62/1058853862.db2.gz UGTCRUKLOHTTPT-HWWDLCQESA-N 1 3 320.908 4.333 20 0 DIADHO C[C@@H]1CC[C@H](NC2(c3ccc(Cl)cc3)CC[NH2+]CC2)C[C@H]1C ZINC001246341936 1058854643 /nfs/dbraw/zinc/85/46/43/1058854643.db2.gz QIMUHWNLZVUXCK-RKVPGOIHSA-N 1 3 320.908 4.333 20 0 DIADHO Fc1ccc(CCN[C@@H]2CC[NH2+]C3(CCCCC3)C2)c(Cl)c1 ZINC001246345573 1058856097 /nfs/dbraw/zinc/85/60/97/1058856097.db2.gz GDFMAUJQLJOLJK-MRXNPFEDSA-N 1 3 324.871 4.066 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC001246346023 1058857556 /nfs/dbraw/zinc/85/75/56/1058857556.db2.gz LOLNBIIIFKBOQP-DGEVVOEJSA-N 1 3 320.480 4.080 20 0 DIADHO CC(C)c1ccc(CCN[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1 ZINC001246345129 1058857763 /nfs/dbraw/zinc/85/77/63/1058857763.db2.gz UUYRVTMQTVDBHA-RTBURBONSA-N 1 3 302.506 4.109 20 0 DIADHO CCCCC[C@H](CCC)[NH2+]C1(Cc2ccccn2)CCNCC1 ZINC001246371147 1058873314 /nfs/dbraw/zinc/87/33/14/1058873314.db2.gz LSNCGHMECJOPKC-SFHVURJKSA-N 1 3 317.521 4.085 20 0 DIADHO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246370752 1058873664 /nfs/dbraw/zinc/87/36/64/1058873664.db2.gz GRWLJNVYUICDPQ-ZPMCFJSWSA-N 1 3 322.496 4.263 20 0 DIADHO c1ccc(C[C@@H]2C[C@@H]([NH2+]Cc3cccc(C4CC4)c3)CCN2)cc1 ZINC001246366273 1058874416 /nfs/dbraw/zinc/87/44/16/1058874416.db2.gz XHNHHGNBHWFVAG-FCHUYYIVSA-N 1 3 320.480 4.017 20 0 DIADHO CC1CCC([NH2+]C2(c3ccccc3Cl)CCNCC2)CC1 ZINC001246373373 1058878722 /nfs/dbraw/zinc/87/87/22/1058878722.db2.gz HIEABJZFZLWKDM-UHFFFAOYSA-N 1 3 306.881 4.087 20 0 DIADHO Cc1ccccc1CC(C)(C)[NH2+][C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246373204 1058879951 /nfs/dbraw/zinc/87/99/51/1058879951.db2.gz PAFWQMLYOGWZJU-QZTJIDSGSA-N 1 3 302.506 4.072 20 0 DIADHO CC[C@H]1C[C@H]([NH2+]C2(CC(C)C)CCC(F)(F)CC2)CCN1 ZINC001246372278 1058880094 /nfs/dbraw/zinc/88/00/94/1058880094.db2.gz ZMJCWMLXKCTNJN-LSDHHAIUSA-N 1 3 302.453 4.101 20 0 DIADHO CC[C@H]1C[C@@H]([NH2+]C2(CC(C)C)CCC(F)(F)CC2)CCN1 ZINC001246372276 1058880414 /nfs/dbraw/zinc/88/04/14/1058880414.db2.gz ZMJCWMLXKCTNJN-GJZGRUSLSA-N 1 3 302.453 4.101 20 0 DIADHO CCCCCC[C@@H](C)[NH2+]C1(c2ccccc2OC)CCNCC1 ZINC001246375707 1058881518 /nfs/dbraw/zinc/88/15/18/1058881518.db2.gz JISDKPDMUWGKOV-QGZVFWFLSA-N 1 3 318.505 4.222 20 0 DIADHO CC[C@@H]1CC[C@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)C1 ZINC001246379660 1058883521 /nfs/dbraw/zinc/88/35/21/1058883521.db2.gz ACYJFMYEMFQVEY-WBVHZDCISA-N 1 3 320.908 4.173 20 0 DIADHO C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3Cl)CCNCC2)C[C@@H]1C ZINC001246378889 1058884089 /nfs/dbraw/zinc/88/40/89/1058884089.db2.gz VEWZDUMVMZRVMI-PMPSAXMXSA-N 1 3 320.908 4.333 20 0 DIADHO CCCCC[C@@H](CC)NC1(c2ccc(OC)cc2)CC[NH2+]CC1 ZINC001246379379 1058884626 /nfs/dbraw/zinc/88/46/26/1058884626.db2.gz CYUGQNUPTVTBHR-GOSISDBHSA-N 1 3 318.505 4.222 20 0 DIADHO CC(C)[C@H]1C[C@H](NCC2(Cc3ccccc3Cl)CC2)CC[NH2+]1 ZINC001246385172 1058887047 /nfs/dbraw/zinc/88/70/47/1058887047.db2.gz SIMXFUJECYYIMX-SJLPKXTDSA-N 1 3 320.908 4.029 20 0 DIADHO CC(C)[C@H]1C[C@@H](NCC2(Cc3ccccc3Cl)CC2)CC[NH2+]1 ZINC001246385171 1058888765 /nfs/dbraw/zinc/88/87/65/1058888765.db2.gz SIMXFUJECYYIMX-FUHWJXTLSA-N 1 3 320.908 4.029 20 0 DIADHO Fc1ccccc1CC1([NH2+]C2CCCCCCC2)CCNCC1 ZINC001246382472 1058890388 /nfs/dbraw/zinc/89/03/88/1058890388.db2.gz YJGRVFHXHUMNEF-UHFFFAOYSA-N 1 3 318.480 4.193 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(C)cc3)CC2)CCN1 ZINC001246387284 1058893455 /nfs/dbraw/zinc/89/34/55/1058893455.db2.gz XXGKZYVXXDANAI-UXHICEINSA-N 1 3 314.517 4.218 20 0 DIADHO CC[C@H](CC(C)C)[NH2+]C1(Cc2ccc(Cl)cc2)CCNCC1 ZINC001246388808 1058893581 /nfs/dbraw/zinc/89/35/81/1058893581.db2.gz GSCOFUURJMOWBE-GOSISDBHSA-N 1 3 322.924 4.419 20 0 DIADHO CC1(C)CCC([NH2+]C2(Cc3ccc(F)cc3)CCNCC2)CC1 ZINC001246391755 1058897591 /nfs/dbraw/zinc/89/75/91/1058897591.db2.gz OEFYXBNPYFOQOJ-UHFFFAOYSA-N 1 3 318.480 4.049 20 0 DIADHO C[C@@H]1C[C@@H](NC2(c3ccccc3)CCC(F)(F)CC2)C[C@H](C)[NH2+]1 ZINC001246400058 1058904397 /nfs/dbraw/zinc/90/43/97/1058904397.db2.gz IGIRBGWMBJRQKH-SCAQPMJSSA-N 1 3 322.443 4.210 20 0 DIADHO C[C@@H]1C[C@@H]([NH2+]C2(CC3CCC3)CCC(F)(F)CC2)C[C@H](C)N1 ZINC001246405742 1058906548 /nfs/dbraw/zinc/90/65/48/1058906548.db2.gz NLSGCFJRJJGMCK-MIFYACCESA-N 1 3 314.464 4.243 20 0 DIADHO CC1(C)C[C@@H]([NH2+]C2(CC3CCC3)CCC(F)(F)CC2)CCN1 ZINC001246406890 1058907352 /nfs/dbraw/zinc/90/73/52/1058907352.db2.gz QEXOAEYGSPDXEU-HNNXBMFYSA-N 1 3 314.464 4.245 20 0 DIADHO Cc1cccc(C2(N[C@H]3CC[NH2+][C@H](c4ccccc4)C3)CCC2)c1 ZINC001246415018 1058919503 /nfs/dbraw/zinc/91/95/03/1058919503.db2.gz WZEPSVIKDJIOSY-SFTDATJTSA-N 1 3 320.480 4.457 20 0 DIADHO CC[C@@H](C)C[C@H](CC)[NH2+]C1(c2ccccc2F)CCNCC1 ZINC001246427658 1058921391 /nfs/dbraw/zinc/92/13/91/1058921391.db2.gz FJBDATRSOKMUSK-CVEARBPZSA-N 1 3 306.469 4.209 20 0 DIADHO CC(C)CC[C@@H](C)[NH2+]C1(Cc2cccc(Cl)c2)CCNCC1 ZINC001246428182 1058921559 /nfs/dbraw/zinc/92/15/59/1058921559.db2.gz JZBZJCHONQYDAH-MRXNPFEDSA-N 1 3 322.924 4.419 20 0 DIADHO CC[C@@H]1C[C@H](NC2(Cc3ccccc3F)CCC2)C[C@H](CC)[NH2+]1 ZINC001246433899 1058925962 /nfs/dbraw/zinc/92/59/62/1058925962.db2.gz KTBBOSBTYCHPCQ-PIIMJCKOSA-N 1 3 318.480 4.190 20 0 DIADHO C[C@H]1C[C@H](NC2(c3cccc(Cl)c3)CC[NH2+]CC2)C[C@@H](C)C1 ZINC001246430872 1058926586 /nfs/dbraw/zinc/92/65/86/1058926586.db2.gz QGVNSLLIFIJKAP-HWWDLCQESA-N 1 3 320.908 4.333 20 0 DIADHO C[C@@H]1C[C@H](NC2(c3cccc(F)c3)CC[NH2+]CC2)CC(C)(C)C1 ZINC001246439095 1058929266 /nfs/dbraw/zinc/92/92/66/1058929266.db2.gz TUVRFHODWYEVRF-QAPCUYQASA-N 1 3 318.480 4.209 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H](NC2(Cc3ccccc3F)CCC2)CC[NH2+]1 ZINC001246437179 1058930374 /nfs/dbraw/zinc/93/03/74/1058930374.db2.gz ZQIBYDQKTXYPTB-FUHWJXTLSA-N 1 3 318.480 4.047 20 0 DIADHO C[C@H]1CCC[C@H](NC2(c3cccc(Cl)c3)CC[NH2+]CC2)C1 ZINC001246436980 1058930863 /nfs/dbraw/zinc/93/08/63/1058930863.db2.gz LPAJCEUZHMVHGH-YOEHRIQHSA-N 1 3 306.881 4.087 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+]CC(C)(C)Cc2ccccc2F)CCN1 ZINC001246439259 1058931221 /nfs/dbraw/zinc/93/12/21/1058931221.db2.gz NUYLPZSQZVOKGM-MSOLQXFVSA-N 1 3 320.496 4.295 20 0 DIADHO CCCC[C@H]1C[C@@H](NC2(Cc3ccccc3F)CCC2)CC[NH2+]1 ZINC001246435487 1058931509 /nfs/dbraw/zinc/93/15/09/1058931509.db2.gz RPJWSDQLFGTDME-ROUUACIJSA-N 1 3 318.480 4.191 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+]CC(C)(C)Cc2ccc(F)cc2)CCN1 ZINC001246434768 1058932242 /nfs/dbraw/zinc/93/22/42/1058932242.db2.gz YJSZZPGSLHRCKM-MOPGFXCFSA-N 1 3 320.496 4.295 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH2+]CC(C)(C)Cc2ccccc2F)CCN1 ZINC001246439262 1058934499 /nfs/dbraw/zinc/93/44/99/1058934499.db2.gz NUYLPZSQZVOKGM-ROUUACIJSA-N 1 3 320.496 4.295 20 0 DIADHO Cc1ccccc1C(C)(C)[NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246440759 1058934952 /nfs/dbraw/zinc/93/49/52/1058934952.db2.gz XFEYSZZTEZOOOZ-WOJBJXKFSA-N 1 3 322.496 4.183 20 0 DIADHO CC1(C)CCC[C@@H]([NH2+]C2(Cc3cccc(F)c3)CCNCC2)C1 ZINC001246449627 1058936526 /nfs/dbraw/zinc/93/65/26/1058936526.db2.gz AHSOASHTODWIGK-GOSISDBHSA-N 1 3 318.480 4.049 20 0 DIADHO C[C@H](Cc1ccccc1Cl)[NH2+]C1(CC2CCC2)CCNCC1 ZINC001246447070 1058938514 /nfs/dbraw/zinc/93/85/14/1058938514.db2.gz NUJIOHZNJFQGSR-OAHLLOKOSA-N 1 3 320.908 4.173 20 0 DIADHO CCC(CC)NC1(c2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC001246453997 1058940307 /nfs/dbraw/zinc/94/03/07/1058940307.db2.gz ZDEWHGYFAAILTN-UHFFFAOYSA-N 1 3 314.395 4.062 20 0 DIADHO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246457395 1058943272 /nfs/dbraw/zinc/94/32/72/1058943272.db2.gz KQFFGZPDXSYONB-RTBURBONSA-N 1 3 316.533 4.402 20 0 DIADHO Cc1ccc(C2(N[C@@H]3CC[NH2+][C@@H](C)C3)CCC(F)(F)CC2)cc1 ZINC001246458347 1058944176 /nfs/dbraw/zinc/94/41/76/1058944176.db2.gz QLLLGUIFYUXNRG-DOTOQJQBSA-N 1 3 322.443 4.130 20 0 DIADHO Cc1ccc(C2([NH2+][C@@H]3CCN[C@@H](C)C3)CCC(F)(F)CC2)cc1 ZINC001246458347 1058944198 /nfs/dbraw/zinc/94/41/98/1058944198.db2.gz QLLLGUIFYUXNRG-DOTOQJQBSA-N 1 3 322.443 4.130 20 0 DIADHO CC[C@]1([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)CCNC1 ZINC001246461304 1058948211 /nfs/dbraw/zinc/94/82/11/1058948211.db2.gz ORFVXHCPVGYMAQ-VJFUWPCTSA-N 1 3 306.881 4.098 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCN1 ZINC001246460689 1058950439 /nfs/dbraw/zinc/95/04/39/1058950439.db2.gz HKUBGIUHFVWGAF-LWYYNNOASA-N 1 3 300.490 4.223 20 0 DIADHO c1ccc(C2CCC(NC[C@]3(CC4CC4)CCC[NH2+]3)CC2)cc1 ZINC001246462454 1058950865 /nfs/dbraw/zinc/95/08/65/1058950865.db2.gz SHVMJNOZJKTWDU-XVAXZDLZSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1cccc([C@@H](C)[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)c1C ZINC001246473770 1058959585 /nfs/dbraw/zinc/95/95/85/1058959585.db2.gz KEEWUGDMBFTIPS-HLAWJBBLSA-N 1 3 322.496 4.317 20 0 DIADHO c1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246499525 1058975800 /nfs/dbraw/zinc/97/58/00/1058975800.db2.gz ZLWJVIJWXDPKIZ-QUCCMNQESA-N 1 3 312.501 4.499 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246508010 1058977691 /nfs/dbraw/zinc/97/76/91/1058977691.db2.gz CKICVOLRAFZWLV-WTGUMLROSA-N 1 3 314.517 4.469 20 0 DIADHO CC[C@@H]([NH2+][C@H](C)CC(c1ccccc1)c1ccccc1)C1CNC1 ZINC001246519552 1058981053 /nfs/dbraw/zinc/98/10/53/1058981053.db2.gz SHJHCPPRCWNNJP-VGOFRKELSA-N 1 3 322.496 4.185 20 0 DIADHO Clc1ccc([C@H](C[NH2+][C@H]2CCNC3(CCC3)C2)C2CC2)cc1 ZINC001246515248 1058981791 /nfs/dbraw/zinc/98/17/91/1058981791.db2.gz LIJJNSWAEOTQCQ-ZWKOTPCHSA-N 1 3 318.892 4.098 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)CCN1 ZINC001246518442 1058983349 /nfs/dbraw/zinc/98/33/49/1058983349.db2.gz GAULFTCJNRGLBM-SFTDATJTSA-N 1 3 314.517 4.252 20 0 DIADHO CCCC[C@H]1C[C@@H](N2CCC(Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246518442 1058983372 /nfs/dbraw/zinc/98/33/72/1058983372.db2.gz GAULFTCJNRGLBM-SFTDATJTSA-N 1 3 314.517 4.252 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2c2cccc(C)c2)CCN1 ZINC001246542658 1058992198 /nfs/dbraw/zinc/99/21/98/1058992198.db2.gz WRIFSFWBDJCMJC-VAMGGRTRSA-N 1 3 300.490 4.443 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2cccc(C)c2)CCN1 ZINC001246542658 1058992216 /nfs/dbraw/zinc/99/22/16/1058992216.db2.gz WRIFSFWBDJCMJC-VAMGGRTRSA-N 1 3 300.490 4.443 20 0 DIADHO C[C@@H](CC(C)(C)SCc1ccco1)N1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246563099 1059002439 /nfs/dbraw/zinc/00/24/39/1059002439.db2.gz BEMYKODRPRDPIK-PMPSAXMXSA-N 1 3 324.534 4.129 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCC[C@H](CN)[C@H]1C ZINC001246565167 1059004129 /nfs/dbraw/zinc/00/41/29/1059004129.db2.gz OUCUGYXWZIXEDT-BZUAXINKSA-N 1 3 324.534 4.129 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CCC[C@H](CN)[C@H]1C ZINC001246565167 1059004153 /nfs/dbraw/zinc/00/41/53/1059004153.db2.gz OUCUGYXWZIXEDT-BZUAXINKSA-N 1 3 324.534 4.129 20 0 DIADHO CCc1ccc(C[C@H](C)[N@H+](C(C)C)[C@@H]2CCCNCC2)cc1 ZINC001246581769 1059013830 /nfs/dbraw/zinc/01/38/30/1059013830.db2.gz AMEAVHPKDGXVOO-FXAWDEMLSA-N 1 3 302.506 4.033 20 0 DIADHO CCc1ccc(C[C@H](C)[N@@H+](C(C)C)[C@@H]2CCCNCC2)cc1 ZINC001246581769 1059013852 /nfs/dbraw/zinc/01/38/52/1059013852.db2.gz AMEAVHPKDGXVOO-FXAWDEMLSA-N 1 3 302.506 4.033 20 0 DIADHO C[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)C2CCCCC2)C[C@H](C)N1 ZINC001246595803 1059016477 /nfs/dbraw/zinc/01/64/77/1059016477.db2.gz IRIOQANTKNMFRZ-XEMDLRDOSA-N 1 3 300.490 4.350 20 0 DIADHO C[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C2CCCCC2)C[C@H](C)N1 ZINC001246595803 1059016500 /nfs/dbraw/zinc/01/65/00/1059016500.db2.gz IRIOQANTKNMFRZ-XEMDLRDOSA-N 1 3 300.490 4.350 20 0 DIADHO CC1(C)C[C@H]([NH+]2CCC(c3cccc(Cl)c3)CC2)CCN1 ZINC001246592227 1059018735 /nfs/dbraw/zinc/01/87/35/1059018735.db2.gz FZVDXVKHSSDCAS-QGZVFWFLSA-N 1 3 306.881 4.050 20 0 DIADHO CC1(C)C[C@H](N2CCC(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246592227 1059018757 /nfs/dbraw/zinc/01/87/57/1059018757.db2.gz FZVDXVKHSSDCAS-QGZVFWFLSA-N 1 3 306.881 4.050 20 0 DIADHO Clc1cccc(C2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)N4)CC2)c1 ZINC001246590808 1059020493 /nfs/dbraw/zinc/02/04/93/1059020493.db2.gz AIVQHUZFSZVMQQ-BWTSREIZSA-N 1 3 318.892 4.193 20 0 DIADHO Clc1cccc(C2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)c1 ZINC001246590808 1059020516 /nfs/dbraw/zinc/02/05/16/1059020516.db2.gz AIVQHUZFSZVMQQ-BWTSREIZSA-N 1 3 318.892 4.193 20 0 DIADHO c1ccc(C[N@H+](C2CCCCC2)[C@H]2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC001246596941 1059022348 /nfs/dbraw/zinc/02/23/48/1059022348.db2.gz KQIANUVEEINWRI-KXTWHKPSSA-N 1 3 312.501 4.494 20 0 DIADHO c1ccc(C[N@@H+](C2CCCCC2)[C@H]2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC001246596941 1059022372 /nfs/dbraw/zinc/02/23/72/1059022372.db2.gz KQIANUVEEINWRI-KXTWHKPSSA-N 1 3 312.501 4.494 20 0 DIADHO C[C@H](Cc1ccc(F)cc1Cl)N1CCC[C@]12CCC[NH2+]CC2 ZINC001246609165 1059027376 /nfs/dbraw/zinc/02/73/76/1059027376.db2.gz XQRMKXGLQROVGF-KDOFPFPSSA-N 1 3 324.871 4.018 20 0 DIADHO c1ccc([C@@H]2CCC[C@@H]([N@@H+]3CCC[C@@]4(CCCNC4)C3)C2)cc1 ZINC001246610641 1059029432 /nfs/dbraw/zinc/02/94/32/1059029432.db2.gz QSMTZDDAIMYWJT-NJDAHSKKSA-N 1 3 312.501 4.178 20 0 DIADHO c1ccc([C@@H]2CCC[C@@H]([N@H+]3CCC[C@@]4(CCCNC4)C3)C2)cc1 ZINC001246610641 1059029455 /nfs/dbraw/zinc/02/94/55/1059029455.db2.gz QSMTZDDAIMYWJT-NJDAHSKKSA-N 1 3 312.501 4.178 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)N1CCC2(CCC[NH2+]2)CC1 ZINC001246626084 1059038939 /nfs/dbraw/zinc/03/89/39/1059038939.db2.gz SDGWOEIVNUJMRI-IBGZPJMESA-N 1 3 300.490 4.006 20 0 DIADHO c1ccc2c(c1)CCC21CCC([N@@H+]2CC[C@]3(C2)CCCCN3)CC1 ZINC001246628972 1059040028 /nfs/dbraw/zinc/04/00/28/1059040028.db2.gz ZGCWHYUVSKQFRV-VTLFHKLASA-N 1 3 324.512 4.031 20 0 DIADHO c1ccc2c(c1)CCC21CCC([N@H+]2CC[C@]3(C2)CCCCN3)CC1 ZINC001246628972 1059040048 /nfs/dbraw/zinc/04/00/48/1059040048.db2.gz ZGCWHYUVSKQFRV-VTLFHKLASA-N 1 3 324.512 4.031 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([NH+]2CCC3(C=Cc4ccccc43)CC2)CCN1 ZINC001246647301 1059046610 /nfs/dbraw/zinc/04/66/10/1059046610.db2.gz KGMHUYURLAADKG-QUCCMNQESA-N 1 3 324.512 4.214 20 0 DIADHO c1ccc([C@@H]2CCC[C@@H]([N@H+]3CCCC[C@@]34CCCNC4)C2)cc1 ZINC001246651516 1059052626 /nfs/dbraw/zinc/05/26/26/1059052626.db2.gz LXRGHEIKRGFHFP-NJYVYQBISA-N 1 3 312.501 4.321 20 0 DIADHO c1ccc([C@@H]2CCC[C@@H]([N@@H+]3CCCC[C@@]34CCCNC4)C2)cc1 ZINC001246651516 1059052649 /nfs/dbraw/zinc/05/26/49/1059052649.db2.gz LXRGHEIKRGFHFP-NJYVYQBISA-N 1 3 312.501 4.321 20 0 DIADHO c1ccc([C@@H]2CCC[C@@H](N3CCCC[C@@]34CCC[NH2+]C4)C2)cc1 ZINC001246651516 1059052670 /nfs/dbraw/zinc/05/26/70/1059052670.db2.gz LXRGHEIKRGFHFP-NJYVYQBISA-N 1 3 312.501 4.321 20 0 DIADHO CCCC[C@H](CC)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246673545 1059059932 /nfs/dbraw/zinc/05/99/32/1059059932.db2.gz PHRMGZXASFMIJE-HKBOAZHASA-N 1 3 314.517 4.208 20 0 DIADHO CCCC[C@H](CC)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246673545 1059059949 /nfs/dbraw/zinc/05/99/49/1059059949.db2.gz PHRMGZXASFMIJE-HKBOAZHASA-N 1 3 314.517 4.208 20 0 DIADHO CC[C@H](CC(C)C)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246683289 1059062520 /nfs/dbraw/zinc/06/25/20/1059062520.db2.gz IFUIJJUNWREXMD-NJDAHSKKSA-N 1 3 314.517 4.064 20 0 DIADHO CC[C@H](CC(C)C)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246683289 1059062542 /nfs/dbraw/zinc/06/25/42/1059062542.db2.gz IFUIJJUNWREXMD-NJDAHSKKSA-N 1 3 314.517 4.064 20 0 DIADHO c1ccc(CCC2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)N4)CC2)cc1 ZINC001246779468 1059077010 /nfs/dbraw/zinc/07/70/10/1059077010.db2.gz HRFLRDFITARXJA-AERCQKQUSA-N 1 3 312.501 4.004 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2c2ccc(C)cc2)CCN1 ZINC001246782785 1059077402 /nfs/dbraw/zinc/07/74/02/1059077402.db2.gz UTHZWYSGRCNMLY-HSALFYBXSA-N 1 3 300.490 4.443 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2ccc(C)cc2)CCN1 ZINC001246782785 1059077414 /nfs/dbraw/zinc/07/74/14/1059077414.db2.gz UTHZWYSGRCNMLY-HSALFYBXSA-N 1 3 300.490 4.443 20 0 DIADHO CCCC[C@@H]1C[C@@H](N2CCC[C@@H]2c2ccc(C)cc2)CC[NH2+]1 ZINC001246782785 1059077430 /nfs/dbraw/zinc/07/74/30/1059077430.db2.gz UTHZWYSGRCNMLY-HSALFYBXSA-N 1 3 300.490 4.443 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2c2ccc(C)cc2)CCN1 ZINC001246782783 1059080741 /nfs/dbraw/zinc/08/07/41/1059080741.db2.gz UTHZWYSGRCNMLY-AQNXPRMDSA-N 1 3 300.490 4.443 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2ccc(C)cc2)CCN1 ZINC001246782783 1059080762 /nfs/dbraw/zinc/08/07/62/1059080762.db2.gz UTHZWYSGRCNMLY-AQNXPRMDSA-N 1 3 300.490 4.443 20 0 DIADHO CCCC[C@@H]1C[C@H](N2CCC[C@H]2c2ccc(C)cc2)CC[NH2+]1 ZINC001246782783 1059080776 /nfs/dbraw/zinc/08/07/76/1059080776.db2.gz UTHZWYSGRCNMLY-AQNXPRMDSA-N 1 3 300.490 4.443 20 0 DIADHO c1csc([C@H]2CCCN2[C@H]2CC[NH2+]C3(CCCCC3)C2)c1 ZINC001246786609 1059086800 /nfs/dbraw/zinc/08/68/00/1059086800.db2.gz MDLYHASMVKBCFM-JKSUJKDBSA-N 1 3 304.503 4.340 20 0 DIADHO c1csc(C2CCN([C@@H]3CC[NH2+]C4(CCCCC4)C3)CC2)c1 ZINC001246790281 1059090071 /nfs/dbraw/zinc/09/00/71/1059090071.db2.gz MWGXOKNTWKKGEW-QGZVFWFLSA-N 1 3 318.530 4.382 20 0 DIADHO C[C@H]1C[C@@H]([NH+]2CCC(c3ccc4ccccc4c3)CC2)CCN1 ZINC001246794486 1059096990 /nfs/dbraw/zinc/09/69/90/1059096990.db2.gz ZYKVMETVZZDJJD-KKSFZXQISA-N 1 3 308.469 4.160 20 0 DIADHO C[C@H]1C[C@@H](N2CCC(c3ccc4ccccc4c3)CC2)CC[NH2+]1 ZINC001246794486 1059097011 /nfs/dbraw/zinc/09/70/11/1059097011.db2.gz ZYKVMETVZZDJJD-KKSFZXQISA-N 1 3 308.469 4.160 20 0 DIADHO Fc1cccc([C@@H]2CCCN2[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246801187 1059101292 /nfs/dbraw/zinc/10/12/92/1059101292.db2.gz RYWNWEGPHVZHCC-HKBOAZHASA-N 1 3 324.443 4.456 20 0 DIADHO CCN(Cc1cccc(OC)c1)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246838713 1059119849 /nfs/dbraw/zinc/11/98/49/1059119849.db2.gz FEPATKHOFDXSJJ-PZJWPPBQSA-N 1 3 324.468 4.010 20 0 DIADHO C[C@@H]1C[C@@H]([N@H+](CCc2ccccc2)Cc2ccccc2)C[C@H](C)N1 ZINC001246844434 1059123282 /nfs/dbraw/zinc/12/32/82/1059123282.db2.gz YWYGWPYLNBHKEQ-HATOLVCRSA-N 1 3 322.496 4.260 20 0 DIADHO C[C@@H]1C[C@@H]([N@@H+](CCc2ccccc2)Cc2ccccc2)C[C@H](C)N1 ZINC001246844434 1059123288 /nfs/dbraw/zinc/12/32/88/1059123288.db2.gz YWYGWPYLNBHKEQ-HATOLVCRSA-N 1 3 322.496 4.260 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)N1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246849763 1059126580 /nfs/dbraw/zinc/12/65/80/1059126580.db2.gz AYKCAYNDOYBYIO-ZNLUXHQJSA-N 1 3 320.480 4.020 20 0 DIADHO NCC[C@@H]1CCC[N@@H+]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246848826 1059127623 /nfs/dbraw/zinc/12/76/23/1059127623.db2.gz WSFOYDWFANPUOA-NXYGQSRBSA-N 1 3 306.881 4.179 20 0 DIADHO NCC[C@@H]1CCC[N@H+]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246848826 1059127628 /nfs/dbraw/zinc/12/76/28/1059127628.db2.gz WSFOYDWFANPUOA-NXYGQSRBSA-N 1 3 306.881 4.179 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H]1CCN ZINC001246848396 1059128140 /nfs/dbraw/zinc/12/81/40/1059128140.db2.gz UZYKTVRRWZBUSX-RXVVDRJESA-N 1 3 322.496 4.410 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H]1CCN ZINC001246848396 1059128152 /nfs/dbraw/zinc/12/81/52/1059128152.db2.gz UZYKTVRRWZBUSX-RXVVDRJESA-N 1 3 322.496 4.410 20 0 DIADHO c1ccc(C[C@H]2C[C@H]([N@H+](Cc3ccccc3)C3CC3)CCN2)cc1 ZINC001246861086 1059138825 /nfs/dbraw/zinc/13/88/25/1059138825.db2.gz QIDQLRQAIUJOLD-RBBKRZOGSA-N 1 3 320.480 4.014 20 0 DIADHO c1ccc(C[C@H]2C[C@H]([N@@H+](Cc3ccccc3)C3CC3)CCN2)cc1 ZINC001246861086 1059138840 /nfs/dbraw/zinc/13/88/40/1059138840.db2.gz QIDQLRQAIUJOLD-RBBKRZOGSA-N 1 3 320.480 4.014 20 0 DIADHO CC[C@@H]1c2ccccc2CCN1[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246870581 1059140785 /nfs/dbraw/zinc/14/07/85/1059140785.db2.gz YMLKQOMQWFKXGE-QXAKKESOSA-N 1 3 300.490 4.163 20 0 DIADHO CCCC[C@@H]1C[C@@H](N2CCc3ccccc3[C@H]2CC)CC[NH2+]1 ZINC001246867651 1059141973 /nfs/dbraw/zinc/14/19/73/1059141973.db2.gz PTRFSBNXZRUWSA-WSTZPKSXSA-N 1 3 300.490 4.307 20 0 DIADHO CCN(Cc1cccs1)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246880441 1059145573 /nfs/dbraw/zinc/14/55/73/1059145573.db2.gz DZAPMYPAZLBBSK-WMZOPIPTSA-N 1 3 300.471 4.063 20 0 DIADHO CCN(Cc1cccs1)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246880440 1059146432 /nfs/dbraw/zinc/14/64/32/1059146432.db2.gz DZAPMYPAZLBBSK-SJLPKXTDSA-N 1 3 300.471 4.063 20 0 DIADHO C[C@H]1C[C@@H]([N@H+](C)CCC(c2ccccc2)c2ccccc2)CCN1 ZINC001246884076 1059148556 /nfs/dbraw/zinc/14/85/56/1059148556.db2.gz SLJHJWPJQCGICY-RXVVDRJESA-N 1 3 322.496 4.281 20 0 DIADHO C[C@H]1C[C@@H]([N@@H+](C)CCC(c2ccccc2)c2ccccc2)CCN1 ZINC001246884076 1059148572 /nfs/dbraw/zinc/14/85/72/1059148572.db2.gz SLJHJWPJQCGICY-RXVVDRJESA-N 1 3 322.496 4.281 20 0 DIADHO CC[NH+](CC)CC[C@H](C)N1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001246902463 1059163123 /nfs/dbraw/zinc/16/31/23/1059163123.db2.gz RPMKOGNBHBIZKT-JXFKEZNVSA-N 1 3 313.489 4.425 20 0 DIADHO CCN(CC)CC[C@H](C)[N@@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001246902463 1059163134 /nfs/dbraw/zinc/16/31/34/1059163134.db2.gz RPMKOGNBHBIZKT-JXFKEZNVSA-N 1 3 313.489 4.425 20 0 DIADHO CCN(CC)CC[C@H](C)[N@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001246902463 1059163141 /nfs/dbraw/zinc/16/31/41/1059163141.db2.gz RPMKOGNBHBIZKT-JXFKEZNVSA-N 1 3 313.489 4.425 20 0 DIADHO CCN(Cc1ccc(C)c(C)c1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246905721 1059167599 /nfs/dbraw/zinc/16/75/99/1059167599.db2.gz AZAZIVRUAIHFCM-RBUKOAKNSA-N 1 3 302.506 4.292 20 0 DIADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN[C@H](Cc3ccccc3)C2)cc1C ZINC001246907085 1059168630 /nfs/dbraw/zinc/16/86/30/1059168630.db2.gz HZFSLVHFTWTIAI-YADHBBJMSA-N 1 3 322.496 4.099 20 0 DIADHO Cc1ccc(C[N@H+](C)[C@H]2CCN[C@H](Cc3ccccc3)C2)cc1C ZINC001246907085 1059168637 /nfs/dbraw/zinc/16/86/37/1059168637.db2.gz HZFSLVHFTWTIAI-YADHBBJMSA-N 1 3 322.496 4.099 20 0 DIADHO CC[C@H]1C[C@@H]([N@@H+]2CCCC[C@H]2c2ccc(C)c(C)c2)CCN1 ZINC001246909877 1059172004 /nfs/dbraw/zinc/17/20/04/1059172004.db2.gz REXACRKTVUAUOL-UFYCRDLUSA-N 1 3 300.490 4.361 20 0 DIADHO CC[C@H]1C[C@@H]([N@H+]2CCCC[C@H]2c2ccc(C)c(C)c2)CCN1 ZINC001246909877 1059172014 /nfs/dbraw/zinc/17/20/14/1059172014.db2.gz REXACRKTVUAUOL-UFYCRDLUSA-N 1 3 300.490 4.361 20 0 DIADHO C[C@H](Cc1ccccc1F)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246932146 1059180897 /nfs/dbraw/zinc/18/08/97/1059180897.db2.gz FIKCSNOFFDOURJ-IAGOWNOFSA-N 1 3 318.480 4.001 20 0 DIADHO C[C@H](Cc1ccccc1F)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246932146 1059180905 /nfs/dbraw/zinc/18/09/05/1059180905.db2.gz FIKCSNOFFDOURJ-IAGOWNOFSA-N 1 3 318.480 4.001 20 0 DIADHO CSC(C)(C)C[C@@H](C)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246934936 1059182941 /nfs/dbraw/zinc/18/29/41/1059182941.db2.gz DCXXALPSLYGNLR-CVEARBPZSA-N 1 3 312.567 4.151 20 0 DIADHO CSC(C)(C)C[C@@H](C)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246934936 1059182956 /nfs/dbraw/zinc/18/29/56/1059182956.db2.gz DCXXALPSLYGNLR-CVEARBPZSA-N 1 3 312.567 4.151 20 0 DIADHO CC[C@@H](Cc1ccccc1)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246938316 1059184135 /nfs/dbraw/zinc/18/41/35/1059184135.db2.gz OZUQMIQQNNSEHT-UXHICEINSA-N 1 3 314.517 4.252 20 0 DIADHO CC[C@@H](Cc1ccccc1)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246938316 1059184141 /nfs/dbraw/zinc/18/41/41/1059184141.db2.gz OZUQMIQQNNSEHT-UXHICEINSA-N 1 3 314.517 4.252 20 0 DIADHO CC[C@H](Cc1ccccc1)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246938320 1059184736 /nfs/dbraw/zinc/18/47/36/1059184736.db2.gz OZUQMIQQNNSEHT-VQTJNVASSA-N 1 3 314.517 4.252 20 0 DIADHO CC[C@H](Cc1ccccc1)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246938320 1059184747 /nfs/dbraw/zinc/18/47/47/1059184747.db2.gz OZUQMIQQNNSEHT-VQTJNVASSA-N 1 3 314.517 4.252 20 0 DIADHO Cc1cc(F)cc(C[N@H+](C2CCNCC2)[C@@H]2CCC[C@H](C)C2)c1 ZINC001246950702 1059194225 /nfs/dbraw/zinc/19/42/25/1059194225.db2.gz DWBGBKGQTMSJNH-MGPUTAFESA-N 1 3 318.480 4.267 20 0 DIADHO Cc1cc(F)cc(C[N@@H+](C2CCNCC2)[C@@H]2CCC[C@H](C)C2)c1 ZINC001246950702 1059194233 /nfs/dbraw/zinc/19/42/33/1059194233.db2.gz DWBGBKGQTMSJNH-MGPUTAFESA-N 1 3 318.480 4.267 20 0 DIADHO Cc1cc(F)cc(C[N@H+](C2CCNCC2)[C@@H]2CCC[C@@H](C)C2)c1 ZINC001246950701 1059195614 /nfs/dbraw/zinc/19/56/14/1059195614.db2.gz DWBGBKGQTMSJNH-FOIQADDNSA-N 1 3 318.480 4.267 20 0 DIADHO Cc1cc(F)cc(C[N@@H+](C2CCNCC2)[C@@H]2CCC[C@@H](C)C2)c1 ZINC001246950701 1059195620 /nfs/dbraw/zinc/19/56/20/1059195620.db2.gz DWBGBKGQTMSJNH-FOIQADDNSA-N 1 3 318.480 4.267 20 0 DIADHO CCCC[C@@H](C)[N@H+](Cc1cc(C)cc(F)c1)C1CCNCC1 ZINC001246952843 1059201732 /nfs/dbraw/zinc/20/17/32/1059201732.db2.gz XWTQTFOSIPTLQY-MRXNPFEDSA-N 1 3 306.469 4.267 20 0 DIADHO CCCC[C@@H](C)[N@@H+](Cc1cc(C)cc(F)c1)C1CCNCC1 ZINC001246952843 1059201742 /nfs/dbraw/zinc/20/17/42/1059201742.db2.gz XWTQTFOSIPTLQY-MRXNPFEDSA-N 1 3 306.469 4.267 20 0 DIADHO CCCC[C@@H](C)N(Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001246952843 1059201756 /nfs/dbraw/zinc/20/17/56/1059201756.db2.gz XWTQTFOSIPTLQY-MRXNPFEDSA-N 1 3 306.469 4.267 20 0 DIADHO C[C@@H]1CCC[C@H]([N@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246956187 1059202316 /nfs/dbraw/zinc/20/23/16/1059202316.db2.gz QRIPJFXTTDHCJL-PBHICJAKSA-N 1 3 322.443 4.098 20 0 DIADHO C[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246956187 1059202328 /nfs/dbraw/zinc/20/23/28/1059202328.db2.gz QRIPJFXTTDHCJL-PBHICJAKSA-N 1 3 322.443 4.098 20 0 DIADHO C[C@@H]1CCC[C@H](N(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246956187 1059202342 /nfs/dbraw/zinc/20/23/42/1059202342.db2.gz QRIPJFXTTDHCJL-PBHICJAKSA-N 1 3 322.443 4.098 20 0 DIADHO CC[C@@H]1CC[C@@H](N(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246956829 1059205827 /nfs/dbraw/zinc/20/58/27/1059205827.db2.gz WAYMSGBJTBBSAX-RHSMWYFYSA-N 1 3 322.443 4.098 20 0 DIADHO CC[C@@H]1CC[C@@H]([N@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246956829 1059205848 /nfs/dbraw/zinc/20/58/48/1059205848.db2.gz WAYMSGBJTBBSAX-RHSMWYFYSA-N 1 3 322.443 4.098 20 0 DIADHO CC[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246956829 1059205866 /nfs/dbraw/zinc/20/58/66/1059205866.db2.gz WAYMSGBJTBBSAX-RHSMWYFYSA-N 1 3 322.443 4.098 20 0 DIADHO C([C@H]1CCCNC1)[N@H+](C1CC1)[C@H]1CCCC2(CCCCC2)C1 ZINC001246971886 1059218250 /nfs/dbraw/zinc/21/82/50/1059218250.db2.gz ISVVNHHDBLVTLV-HKUYNNGSSA-N 1 3 304.522 4.344 20 0 DIADHO C([C@H]1CCCNC1)[N@@H+](C1CC1)[C@H]1CCCC2(CCCCC2)C1 ZINC001246971886 1059218265 /nfs/dbraw/zinc/21/82/65/1059218265.db2.gz ISVVNHHDBLVTLV-HKUYNNGSSA-N 1 3 304.522 4.344 20 0 DIADHO CCC[C@H](Cc1ccccc1)[N@H+](CCC)[C@H]1CCN[C@H](C)C1 ZINC001246975274 1059218994 /nfs/dbraw/zinc/21/89/94/1059218994.db2.gz BNSDPRXJMGOJIA-RLLQIKCJSA-N 1 3 302.506 4.250 20 0 DIADHO CCC[C@H](Cc1ccccc1)[N@@H+](CCC)[C@H]1CCN[C@H](C)C1 ZINC001246975274 1059219017 /nfs/dbraw/zinc/21/90/17/1059219017.db2.gz BNSDPRXJMGOJIA-RLLQIKCJSA-N 1 3 302.506 4.250 20 0 DIADHO c1ccc(CC[C@@H]2CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4)C2)cc1 ZINC001246981449 1059222159 /nfs/dbraw/zinc/22/21/59/1059222159.db2.gz WMEQOJVOLLOKPE-BURNTYAHSA-N 1 3 312.501 4.004 20 0 DIADHO c1ccc(CC[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4)C2)cc1 ZINC001246981449 1059222183 /nfs/dbraw/zinc/22/21/83/1059222183.db2.gz WMEQOJVOLLOKPE-BURNTYAHSA-N 1 3 312.501 4.004 20 0 DIADHO c1ccc(CC[C@H]2CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4)C2)cc1 ZINC001246981452 1059222756 /nfs/dbraw/zinc/22/27/56/1059222756.db2.gz WMEQOJVOLLOKPE-MXEMCNAFSA-N 1 3 312.501 4.004 20 0 DIADHO c1ccc(CC[C@H]2CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4)C2)cc1 ZINC001246981452 1059222780 /nfs/dbraw/zinc/22/27/80/1059222780.db2.gz WMEQOJVOLLOKPE-MXEMCNAFSA-N 1 3 312.501 4.004 20 0 DIADHO CC[C@@H](Cc1ccccc1)[N@H+]([C@H]1CCNC1)C1CCCCC1 ZINC001246977609 1059223840 /nfs/dbraw/zinc/22/38/40/1059223840.db2.gz ICWQZLUQGATBKY-ICSRJNTNSA-N 1 3 300.490 4.004 20 0 DIADHO CC[C@@H](Cc1ccccc1)[N@@H+]([C@H]1CCNC1)C1CCCCC1 ZINC001246977609 1059223865 /nfs/dbraw/zinc/22/38/65/1059223865.db2.gz ICWQZLUQGATBKY-ICSRJNTNSA-N 1 3 300.490 4.004 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CCN1 ZINC001247006235 1059232863 /nfs/dbraw/zinc/23/28/63/1059232863.db2.gz UTIDLTSYUKHMNV-AABGKKOBSA-N 1 3 318.480 4.143 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CCN1 ZINC001247006235 1059232881 /nfs/dbraw/zinc/23/28/81/1059232881.db2.gz UTIDLTSYUKHMNV-AABGKKOBSA-N 1 3 318.480 4.143 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CCN1 ZINC001247006236 1059235199 /nfs/dbraw/zinc/23/51/99/1059235199.db2.gz UTIDLTSYUKHMNV-AQNXPRMDSA-N 1 3 318.480 4.143 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CCN1 ZINC001247006236 1059235217 /nfs/dbraw/zinc/23/52/17/1059235217.db2.gz UTIDLTSYUKHMNV-AQNXPRMDSA-N 1 3 318.480 4.143 20 0 DIADHO C[C@@H](CCSc1ccccc1)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC001559568555 1059396329 /nfs/dbraw/zinc/39/63/29/1059396329.db2.gz ZQECWUJTIONOKJ-ZWKOTPCHSA-N 1 3 320.546 4.364 20 0 DIADHO C[C@@H](CCSc1ccccc1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC001559568555 1059396349 /nfs/dbraw/zinc/39/63/49/1059396349.db2.gz ZQECWUJTIONOKJ-ZWKOTPCHSA-N 1 3 320.546 4.364 20 0 DIADHO C[C@H](CCSc1ccccc1)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC001559568552 1059397663 /nfs/dbraw/zinc/39/76/63/1059397663.db2.gz ZQECWUJTIONOKJ-MSOLQXFVSA-N 1 3 320.546 4.364 20 0 DIADHO C[C@H](CCSc1ccccc1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC001559568552 1059397683 /nfs/dbraw/zinc/39/76/83/1059397683.db2.gz ZQECWUJTIONOKJ-MSOLQXFVSA-N 1 3 320.546 4.364 20 0 DIADHO C[C@H]([NH2+]C[C@@H]1CCCCC1(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC001559737881 1059570889 /nfs/dbraw/zinc/57/08/89/1059570889.db2.gz PSVHPVQTJNQIBI-BZSNNMDCSA-N 1 3 306.538 4.445 20 0 DIADHO FC1(F)CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001560004131 1059812000 /nfs/dbraw/zinc/81/20/00/1059812000.db2.gz VPSXWYJZIPHWCU-UHFFFAOYSA-N 1 3 322.443 4.294 20 0 DIADHO CSc1ccccc1CN(C)CCCC[NH+]1CCCCC1 ZINC001560100869 1059910120 /nfs/dbraw/zinc/91/01/20/1059910120.db2.gz XBARSYSUZZHHTL-UHFFFAOYSA-N 1 3 306.519 4.106 20 0 DIADHO C[C@H]1C[C@H](CC[N@@H+]2CCN(c3ccncc3)[C@@H](C)C2)C[C@@H](C)C1 ZINC001560109185 1059915868 /nfs/dbraw/zinc/91/58/68/1059915868.db2.gz VQZBYKQQUQNVBT-ZSYWTGECSA-N 1 3 315.505 4.055 20 0 DIADHO C[C@H]1C[C@H](CC[N@H+]2CCN(c3ccncc3)[C@@H](C)C2)C[C@@H](C)C1 ZINC001560109185 1059915877 /nfs/dbraw/zinc/91/58/77/1059915877.db2.gz VQZBYKQQUQNVBT-ZSYWTGECSA-N 1 3 315.505 4.055 20 0 DIADHO C[C@H]1CC(CC[N@@H+]2CCN(c3ccncc3)[C@H](C)C2)C[C@H](C)C1 ZINC001560109184 1059916896 /nfs/dbraw/zinc/91/68/96/1059916896.db2.gz VQZBYKQQUQNVBT-KZNAEPCWSA-N 1 3 315.505 4.055 20 0 DIADHO C[C@H]1CC(CC[N@H+]2CCN(c3ccncc3)[C@H](C)C2)C[C@H](C)C1 ZINC001560109184 1059916923 /nfs/dbraw/zinc/91/69/23/1059916923.db2.gz VQZBYKQQUQNVBT-KZNAEPCWSA-N 1 3 315.505 4.055 20 0 DIADHO c1ccc([C@@H]2CCCC[C@H]([NH2+]CCCN3CCCC3)C2)cc1 ZINC001560252280 1060018647 /nfs/dbraw/zinc/01/86/47/1060018647.db2.gz SQXBPWJLXVLXDF-UXHICEINSA-N 1 3 300.490 4.178 20 0 DIADHO C[N@H+](CCCNCc1ccc2c(c1)CCCC2)Cc1ccccc1 ZINC001560252822 1060019608 /nfs/dbraw/zinc/01/96/08/1060019608.db2.gz OAGPNCGEJGJJDL-UHFFFAOYSA-N 1 3 322.496 4.177 20 0 DIADHO C[N@@H+](CCCNCc1ccc2c(c1)CCCC2)Cc1ccccc1 ZINC001560252822 1060019634 /nfs/dbraw/zinc/01/96/34/1060019634.db2.gz OAGPNCGEJGJJDL-UHFFFAOYSA-N 1 3 322.496 4.177 20 0 DIADHO C[C@@H](CCc1ccccc1)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001560274793 1060048962 /nfs/dbraw/zinc/04/89/62/1060048962.db2.gz QARILXILFMRQAF-KRWDZBQOSA-N 1 3 302.506 4.108 20 0 DIADHO Cc1cc(C)c(/C=C/C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1C ZINC001560357926 1060146320 /nfs/dbraw/zinc/14/63/20/1060146320.db2.gz AVGKAGBSGQNLRI-WWTANLFGSA-N 1 3 300.490 4.087 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001249526020 1060276738 /nfs/dbraw/zinc/27/67/38/1060276738.db2.gz MFRGDEDAQVHCIT-UHFFFAOYSA-N 1 3 317.452 4.003 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001249526020 1060276754 /nfs/dbraw/zinc/27/67/54/1060276754.db2.gz MFRGDEDAQVHCIT-UHFFFAOYSA-N 1 3 317.452 4.003 20 0 DIADHO Fc1ccccc1CN1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001278524187 1060344725 /nfs/dbraw/zinc/34/47/25/1060344725.db2.gz ABWAZUCASAQKRL-UHFFFAOYSA-N 1 3 316.464 4.056 20 0 DIADHO Fc1ccccc1CN1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001278524187 1060344746 /nfs/dbraw/zinc/34/47/46/1060344746.db2.gz ABWAZUCASAQKRL-UHFFFAOYSA-N 1 3 316.464 4.056 20 0 DIADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(F)c3ccccc23)C[C@@H]1C ZINC001560636979 1060451473 /nfs/dbraw/zinc/45/14/73/1060451473.db2.gz REZVSIVURMFBNB-RDJZCZTQSA-N 1 3 314.448 4.284 20 0 DIADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(F)c3ccccc23)C[C@@H]1C ZINC001560636979 1060451482 /nfs/dbraw/zinc/45/14/82/1060451482.db2.gz REZVSIVURMFBNB-RDJZCZTQSA-N 1 3 314.448 4.284 20 0 DIADHO Cc1cc(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c(C)o1 ZINC001560690514 1060535044 /nfs/dbraw/zinc/53/50/44/1060535044.db2.gz WRRLZHGUWUEMDC-INIZCTEOSA-N 1 3 318.505 4.373 20 0 DIADHO Cc1cc(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(C)o1 ZINC001560690514 1060535067 /nfs/dbraw/zinc/53/50/67/1060535067.db2.gz WRRLZHGUWUEMDC-INIZCTEOSA-N 1 3 318.505 4.373 20 0 DIADHO CC(C)CCN1CCC([NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC001560799214 1060660915 /nfs/dbraw/zinc/66/09/15/1060660915.db2.gz YVINLIHXWAJAFW-FQEVSTJZSA-N 1 3 318.480 4.303 20 0 DIADHO Cc1oc2ccccc2c1CN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC001560810833 1060669430 /nfs/dbraw/zinc/66/94/30/1060669430.db2.gz NNYVFKIHYPNTDB-UHFFFAOYSA-N 1 3 322.452 4.435 20 0 DIADHO CC1=CC[C@@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC001560871862 1060732243 /nfs/dbraw/zinc/73/22/43/1060732243.db2.gz UNXJRDZMMCGHNW-LEWJYISDSA-N 1 3 312.501 4.377 20 0 DIADHO CC(C)(C)[C@@]1(C[NH2+]C2CC=CC2)CCN(Cc2ccccc2)C1 ZINC001560918581 1060778900 /nfs/dbraw/zinc/77/89/00/1060778900.db2.gz ZATZRIIPYFEMCY-OAQYLSRUSA-N 1 3 312.501 4.233 20 0 DIADHO CC(C)(C)[C@@]1(C[NH2+][C@H]2C=CCC2)CCN(Cc2ccccc2)C1 ZINC001560922330 1060786936 /nfs/dbraw/zinc/78/69/36/1060786936.db2.gz RIJSJARKXUMRIO-PZJWPPBQSA-N 1 3 312.501 4.233 20 0 DIADHO CC(C)(C)[C@@]1(CN[C@H]2C=CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001560922330 1060786952 /nfs/dbraw/zinc/78/69/52/1060786952.db2.gz RIJSJARKXUMRIO-PZJWPPBQSA-N 1 3 312.501 4.233 20 0 DIADHO CC(C)(C)[C@@]1(CN[C@H]2C=CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001560922330 1060786967 /nfs/dbraw/zinc/78/69/67/1060786967.db2.gz RIJSJARKXUMRIO-PZJWPPBQSA-N 1 3 312.501 4.233 20 0 DIADHO CCN(CC)CC[C@@H]([NH2+]C1CC(C(F)F)C1)c1ccccc1 ZINC001561049499 1060899001 /nfs/dbraw/zinc/89/90/01/1060899001.db2.gz XRRQSVNAURREEX-OFLPRAFFSA-N 1 3 310.432 4.093 20 0 DIADHO CC(C)(C[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1)CN1CCCC1 ZINC001462195812 1061016983 /nfs/dbraw/zinc/01/69/83/1061016983.db2.gz GDIDQIQPURJTFZ-CTNGQTDRSA-N 1 3 314.517 4.208 20 0 DIADHO CCc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001473410298 1061146323 /nfs/dbraw/zinc/14/63/23/1061146323.db2.gz WTWNZYLGRWKQOA-GCJKJVERSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001473410298 1061146331 /nfs/dbraw/zinc/14/63/31/1061146331.db2.gz WTWNZYLGRWKQOA-GCJKJVERSA-N 1 3 322.496 4.249 20 0 DIADHO CN1CCCC[C@H](C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001462437851 1061173616 /nfs/dbraw/zinc/17/36/16/1061173616.db2.gz NMFAYMAKYXCDQD-HHXXYDBFSA-N 1 3 320.908 4.298 20 0 DIADHO CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC[C@@H](C)N(C)C ZINC001462466352 1061191466 /nfs/dbraw/zinc/19/14/66/1061191466.db2.gz JAVKOWCDSATXEB-QAPCUYQASA-N 1 3 310.913 4.227 20 0 DIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CCSC(C)(C)C3)CC2)C1 ZINC001462618788 1061302161 /nfs/dbraw/zinc/30/21/61/1061302161.db2.gz LWRDPNZWTXRLOP-BPQIPLTHSA-N 1 3 324.578 4.293 20 0 DIADHO C[C@]1(c2ccccc2)CC[C@@H](N2CCC([NH2+]C3CCC3)CC2)C1 ZINC001462644302 1061314713 /nfs/dbraw/zinc/31/47/13/1061314713.db2.gz IXMHNHGHQZJAEW-RTWAWAEBSA-N 1 3 312.501 4.103 20 0 DIADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)CCc1c[nH]c2ccccc12 ZINC001462673194 1061330238 /nfs/dbraw/zinc/33/02/38/1061330238.db2.gz KVFHQAIUUXRIJV-SJORKVTESA-N 1 3 315.505 4.199 20 0 DIADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC001462673287 1061331327 /nfs/dbraw/zinc/33/13/27/1061331327.db2.gz LYRDLIRHWJACHA-CVEARBPZSA-N 1 3 302.462 4.074 20 0 DIADHO CCCC[N@H+](CC1CC(OCC)C1)C1CC(C)(C)NC(C)(C)C1 ZINC001473683821 1061343436 /nfs/dbraw/zinc/34/34/36/1061343436.db2.gz VDQKDYGDLWVIKD-UHFFFAOYSA-N 1 3 324.553 4.213 20 0 DIADHO CCCC[N@@H+](CC1CC(OCC)C1)C1CC(C)(C)NC(C)(C)C1 ZINC001473683821 1061343454 /nfs/dbraw/zinc/34/34/54/1061343454.db2.gz VDQKDYGDLWVIKD-UHFFFAOYSA-N 1 3 324.553 4.213 20 0 DIADHO C[N@@H+]1CC[C@@H](N[C@H](c2ccc(F)cc2)C(C)(C)C)CC1(C)C ZINC001473969399 1061512710 /nfs/dbraw/zinc/51/27/10/1061512710.db2.gz UGLOLDCEBBMIKT-IAGOWNOFSA-N 1 3 306.469 4.375 20 0 DIADHO C[N@H+]1CC[C@@H](N[C@H](c2ccc(F)cc2)C(C)(C)C)CC1(C)C ZINC001473969399 1061512727 /nfs/dbraw/zinc/51/27/27/1061512727.db2.gz UGLOLDCEBBMIKT-IAGOWNOFSA-N 1 3 306.469 4.375 20 0 DIADHO CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC001474223100 1061783260 /nfs/dbraw/zinc/78/32/60/1061783260.db2.gz BTYJEGDMYNUHGS-ZCNNSNEGSA-N 1 3 306.538 4.303 20 0 DIADHO Cc1cc(C)cc(-c2ccc(C[NH2+]CC[C@H](C)N(C)C)cc2)c1 ZINC001474223466 1061784518 /nfs/dbraw/zinc/78/45/18/1061784518.db2.gz JKKSOPPHFWBWBQ-SFHVURJKSA-N 1 3 310.485 4.400 20 0 DIADHO CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC001474223098 1061784854 /nfs/dbraw/zinc/78/48/54/1061784854.db2.gz BTYJEGDMYNUHGS-UFYCRDLUSA-N 1 3 306.538 4.303 20 0 DIADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC001474435989 1062111238 /nfs/dbraw/zinc/11/12/38/1062111238.db2.gz RYDLXPLHYIOHRV-MKXGPGLRSA-N 1 3 306.538 4.444 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[NH+]1CCC(N2CCCC2)CC1 ZINC001254492173 1062135677 /nfs/dbraw/zinc/13/56/77/1062135677.db2.gz RMQPSWAUGQOIAO-FQEVSTJZSA-N 1 3 314.517 4.348 20 0 DIADHO CCC[C@@H](CCc1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC001254492173 1062135682 /nfs/dbraw/zinc/13/56/82/1062135682.db2.gz RMQPSWAUGQOIAO-FQEVSTJZSA-N 1 3 314.517 4.348 20 0 DIADHO CCN(Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254532629 1062163079 /nfs/dbraw/zinc/16/30/79/1062163079.db2.gz VMIUMVWUTKBJSH-MRXNPFEDSA-N 1 3 314.395 4.012 20 0 DIADHO CCN(Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254532629 1062163083 /nfs/dbraw/zinc/16/30/83/1062163083.db2.gz VMIUMVWUTKBJSH-MRXNPFEDSA-N 1 3 314.395 4.012 20 0 DIADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(C3CCCC3)cc2)C1 ZINC001474506043 1062188705 /nfs/dbraw/zinc/18/87/05/1062188705.db2.gz ZPBRPNKUARFRNG-LEWJYISDSA-N 1 3 312.501 4.260 20 0 DIADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(C3CCCC3)cc2)C1 ZINC001474506043 1062188716 /nfs/dbraw/zinc/18/87/16/1062188716.db2.gz ZPBRPNKUARFRNG-LEWJYISDSA-N 1 3 312.501 4.260 20 0 DIADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(C3CCCC3)cc2)C1 ZINC001474506043 1062188730 /nfs/dbraw/zinc/18/87/30/1062188730.db2.gz ZPBRPNKUARFRNG-LEWJYISDSA-N 1 3 312.501 4.260 20 0 DIADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(C3CCCC3)cc2)C1 ZINC001474506043 1062188737 /nfs/dbraw/zinc/18/87/37/1062188737.db2.gz ZPBRPNKUARFRNG-LEWJYISDSA-N 1 3 312.501 4.260 20 0 DIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H](C3CC3)C3CCC3)CC2)C1 ZINC001474564711 1062267268 /nfs/dbraw/zinc/26/72/68/1062267268.db2.gz MMUHAPYDSFLKHV-YSGRDPCXSA-N 1 3 304.522 4.198 20 0 DIADHO c1ccc(CN2CCCC[C@@H](C[NH2+][C@H]3C[C@@H]4CCC[C@@H]43)C2)cc1 ZINC001474565022 1062270731 /nfs/dbraw/zinc/27/07/31/1062270731.db2.gz PHTJEFQBNCLJPU-TUFLPTIASA-N 1 3 312.501 4.067 20 0 DIADHO CC[N@@H+]1CC[C@H](N(C)CCSc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001459665681 1062284289 /nfs/dbraw/zinc/28/42/89/1062284289.db2.gz FIZDRKBSOGZZDV-HKUYNNGSSA-N 1 3 320.546 4.058 20 0 DIADHO CC[N@H+]1CC[C@H](N(C)CCSc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001459665681 1062284313 /nfs/dbraw/zinc/28/43/13/1062284313.db2.gz FIZDRKBSOGZZDV-HKUYNNGSSA-N 1 3 320.546 4.058 20 0 DIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(C(C)(C)C)c2)[C@H](C)C1 ZINC001459668635 1062289663 /nfs/dbraw/zinc/28/96/63/1062289663.db2.gz LVNKDMUUCKRVEI-VQIMIIECSA-N 1 3 302.506 4.146 20 0 DIADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(C(C)(C)C)c2)[C@H](C)C1 ZINC001459668635 1062289686 /nfs/dbraw/zinc/28/96/86/1062289686.db2.gz LVNKDMUUCKRVEI-VQIMIIECSA-N 1 3 302.506 4.146 20 0 DIADHO C[C@]1(F)CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255137438 1062330500 /nfs/dbraw/zinc/33/05/00/1062330500.db2.gz RVBHBZSFBCSNFC-NMLBUPMWSA-N 1 3 316.464 4.006 20 0 DIADHO C[C@]1(F)CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255137438 1062330515 /nfs/dbraw/zinc/33/05/15/1062330515.db2.gz RVBHBZSFBCSNFC-NMLBUPMWSA-N 1 3 316.464 4.006 20 0 DIADHO CCSc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)CN(C)C)c1 ZINC001474646022 1062370519 /nfs/dbraw/zinc/37/05/19/1062370519.db2.gz APSIBTSXABVMCY-QFBILLFUSA-N 1 3 320.546 4.351 20 0 DIADHO CCSc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)CN(C)C)c1 ZINC001474646022 1062370542 /nfs/dbraw/zinc/37/05/42/1062370542.db2.gz APSIBTSXABVMCY-QFBILLFUSA-N 1 3 320.546 4.351 20 0 DIADHO CC[C@@H](c1ccc(F)cc1F)N1CCC(CCC[NH+](C)C)CC1 ZINC001459765955 1062374060 /nfs/dbraw/zinc/37/40/60/1062374060.db2.gz ZKUYHNHQCHXZGP-IBGZPJMESA-N 1 3 324.459 4.470 20 0 DIADHO CC1(C)CCC([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)CC1 ZINC001255302687 1062385655 /nfs/dbraw/zinc/38/56/55/1062385655.db2.gz VPTPWCFGKFUDHV-KRWDZBQOSA-N 1 3 304.522 4.366 20 0 DIADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC(C)(C)C(C)(F)F)CC2)C1 ZINC001474669274 1062399289 /nfs/dbraw/zinc/39/92/89/1062399289.db2.gz XYJOYSPYVDBNHU-GOEBONIOSA-N 1 3 316.480 4.301 20 0 DIADHO Cc1ccccc1CN[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255378397 1062421646 /nfs/dbraw/zinc/42/16/46/1062421646.db2.gz NRCHMALWZDSIPM-OAQYLSRUSA-N 1 3 308.469 4.139 20 0 DIADHO Cc1ccccc1CN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255378397 1062421649 /nfs/dbraw/zinc/42/16/49/1062421649.db2.gz NRCHMALWZDSIPM-OAQYLSRUSA-N 1 3 308.469 4.139 20 0 DIADHO Cc1ccnc([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccccc3)CC2)c1 ZINC001255384289 1062421940 /nfs/dbraw/zinc/42/19/40/1062421940.db2.gz XJPJIHFDNCNYGI-QUCCMNQESA-N 1 3 323.484 4.095 20 0 DIADHO Cc1cccc(CN[C@H]2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC001255379916 1062423860 /nfs/dbraw/zinc/42/38/60/1062423860.db2.gz YMJGKAABWRCFIR-NRFANRHFSA-N 1 3 308.469 4.139 20 0 DIADHO Cc1cccc(CN[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255379916 1062423865 /nfs/dbraw/zinc/42/38/65/1062423865.db2.gz YMJGKAABWRCFIR-NRFANRHFSA-N 1 3 308.469 4.139 20 0 DIADHO Cc1ccccc1CN(C)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255401434 1062433616 /nfs/dbraw/zinc/43/36/16/1062433616.db2.gz AEOVJLKFTJEOPP-QFIPXVFZSA-N 1 3 322.496 4.482 20 0 DIADHO Cc1ccccc1CN(C)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255401434 1062433625 /nfs/dbraw/zinc/43/36/25/1062433625.db2.gz AEOVJLKFTJEOPP-QFIPXVFZSA-N 1 3 322.496 4.482 20 0 DIADHO c1ccc(C[N@@H+]2CCC[C@H](N3Cc4ccccc4C3)CC2)cc1 ZINC001255399575 1062434775 /nfs/dbraw/zinc/43/47/75/1062434775.db2.gz VJUFPLARKXXUMN-NRFANRHFSA-N 1 3 306.453 4.057 20 0 DIADHO c1ccc(C[N@H+]2CCC[C@H](N3Cc4ccccc4C3)CC2)cc1 ZINC001255399575 1062434783 /nfs/dbraw/zinc/43/47/83/1062434783.db2.gz VJUFPLARKXXUMN-NRFANRHFSA-N 1 3 306.453 4.057 20 0 DIADHO C[N@H+](Cc1ccsc1)[C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255407134 1062439098 /nfs/dbraw/zinc/43/90/98/1062439098.db2.gz WSPCGXDAQMHJOL-LJQANCHMSA-N 1 3 314.498 4.235 20 0 DIADHO C[N@@H+](Cc1ccsc1)[C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255407134 1062439111 /nfs/dbraw/zinc/43/91/11/1062439111.db2.gz WSPCGXDAQMHJOL-LJQANCHMSA-N 1 3 314.498 4.235 20 0 DIADHO Cc1ccc(CN(C)[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255403849 1062441905 /nfs/dbraw/zinc/44/19/05/1062441905.db2.gz QIUSCYHIBQDAMB-JOCHJYFZSA-N 1 3 322.496 4.482 20 0 DIADHO Cc1ccc(CN(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255403849 1062441915 /nfs/dbraw/zinc/44/19/15/1062441915.db2.gz QIUSCYHIBQDAMB-JOCHJYFZSA-N 1 3 322.496 4.482 20 0 DIADHO FC(F)[C@H]1CCCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255406127 1062442137 /nfs/dbraw/zinc/44/21/37/1062442137.db2.gz PCSXIUBRWDOTAV-ZWKOTPCHSA-N 1 3 322.443 4.018 20 0 DIADHO FC(F)[C@H]1CCCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255406127 1062442148 /nfs/dbraw/zinc/44/21/48/1062442148.db2.gz PCSXIUBRWDOTAV-ZWKOTPCHSA-N 1 3 322.443 4.018 20 0 DIADHO CN(Cc1ccc2ccccc2c1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255682444 1062514337 /nfs/dbraw/zinc/51/43/37/1062514337.db2.gz JJMPXOSERSOITO-WCRBZPEASA-N 1 3 308.469 4.287 20 0 DIADHO CN(Cc1ccc2ccccc2c1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255682444 1062514356 /nfs/dbraw/zinc/51/43/56/1062514356.db2.gz JJMPXOSERSOITO-WCRBZPEASA-N 1 3 308.469 4.287 20 0 DIADHO CCC(CC)N1CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001255698520 1062523025 /nfs/dbraw/zinc/52/30/25/1062523025.db2.gz XXIXWMWRPSDBTO-ZFWWWQNUSA-N 1 3 320.443 4.350 20 0 DIADHO C[C@@H](CSc1ccc(F)cc1)NCCC[N@@H+]1CCCC[C@@H]1C ZINC001255727852 1062545285 /nfs/dbraw/zinc/54/52/85/1062545285.db2.gz IFRBEKVDQYYIAO-HOTGVXAUSA-N 1 3 324.509 4.160 20 0 DIADHO C[C@@H](CSc1ccc(F)cc1)NCCC[N@H+]1CCCC[C@@H]1C ZINC001255727852 1062545306 /nfs/dbraw/zinc/54/53/06/1062545306.db2.gz IFRBEKVDQYYIAO-HOTGVXAUSA-N 1 3 324.509 4.160 20 0 DIADHO Cc1ccc(SC[C@@H](C)[NH+]2C(C)(C)CC(N)CC2(C)C)cc1 ZINC001255753030 1062575963 /nfs/dbraw/zinc/57/59/63/1062575963.db2.gz NUHICNLAZZFXLB-OAHLLOKOSA-N 1 3 320.546 4.456 20 0 DIADHO Cc1ccc(SC[C@@H](C)N2C(C)(C)CC([NH3+])CC2(C)C)cc1 ZINC001255753030 1062575981 /nfs/dbraw/zinc/57/59/81/1062575981.db2.gz NUHICNLAZZFXLB-OAHLLOKOSA-N 1 3 320.546 4.456 20 0 DIADHO CC(C)CSCCC[NH+]1CCC(NCc2ccccc2)CC1 ZINC001460130106 1062651517 /nfs/dbraw/zinc/65/15/17/1062651517.db2.gz OVTUPKMGBXHDIQ-UHFFFAOYSA-N 1 3 320.546 4.020 20 0 DIADHO CCN(CC)CC[C@H](C)[NH2+]C1(Cc2ccc(F)cc2)CCC1 ZINC001255953094 1062669653 /nfs/dbraw/zinc/66/96/53/1062669653.db2.gz IOVMIZUOFZVZRJ-INIZCTEOSA-N 1 3 306.469 4.001 20 0 DIADHO CC[N@H+](C)C1CCN([C@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001256121556 1062721473 /nfs/dbraw/zinc/72/14/73/1062721473.db2.gz VSPSDQJMUJQOTA-ICSRJNTNSA-N 1 3 300.490 4.129 20 0 DIADHO CC[N@@H+](C)C1CCN([C@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001256121556 1062721489 /nfs/dbraw/zinc/72/14/89/1062721489.db2.gz VSPSDQJMUJQOTA-ICSRJNTNSA-N 1 3 300.490 4.129 20 0 DIADHO CCN(C)C1CC[NH+]([C@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001256121556 1062721504 /nfs/dbraw/zinc/72/15/04/1062721504.db2.gz VSPSDQJMUJQOTA-ICSRJNTNSA-N 1 3 300.490 4.129 20 0 DIADHO C[C@@H](NC1CC[NH+](C)CC1)c1ccc(SC(F)(F)F)cc1 ZINC001256202028 1062747328 /nfs/dbraw/zinc/74/73/28/1062747328.db2.gz SBTYKVWAABPOLW-LLVKDONJSA-N 1 3 318.408 4.043 20 0 DIADHO CC(C)CC[C@H](C)N1CCC([NH3+])(c2cccc(Cl)c2)CC1 ZINC001256358700 1062785995 /nfs/dbraw/zinc/78/59/95/1062785995.db2.gz IUDODQGBSJWITG-HNNXBMFYSA-N 1 3 308.897 4.415 20 0 DIADHO CC(C)CC[C@@H](C)[NH+]1CCC(N)(c2ccccc2Cl)CC1 ZINC001256360683 1062787932 /nfs/dbraw/zinc/78/79/32/1062787932.db2.gz KVRVRHGNKOCTHZ-OAHLLOKOSA-N 1 3 308.897 4.415 20 0 DIADHO Cc1ccccc1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256548945 1062867523 /nfs/dbraw/zinc/86/75/23/1062867523.db2.gz CSUAKBICHMBMCY-DENIHFKCSA-N 1 3 322.496 4.480 20 0 DIADHO Cc1ccccc1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256548945 1062867533 /nfs/dbraw/zinc/86/75/33/1062867533.db2.gz CSUAKBICHMBMCY-DENIHFKCSA-N 1 3 322.496 4.480 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@@H](c2ccnc(Cl)c2)C2CC2)CC1 ZINC001256563565 1062889258 /nfs/dbraw/zinc/88/92/58/1062889258.db2.gz FKVFFOUBKLWGSE-QGZVFWFLSA-N 1 3 321.896 4.039 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@H](c2ccnc(Cl)c2)C2CC2)CC1 ZINC001256563563 1062891163 /nfs/dbraw/zinc/89/11/63/1062891163.db2.gz FKVFFOUBKLWGSE-KRWDZBQOSA-N 1 3 321.896 4.039 20 0 DIADHO CC(C)(C)[NH+]1CCC(N2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC001256577236 1062899916 /nfs/dbraw/zinc/89/99/16/1062899916.db2.gz FWMLWGXBWILHHI-IBGZPJMESA-N 1 3 318.480 4.096 20 0 DIADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@@H](c2ccc(F)c(F)c2)C1(C)C ZINC001460721487 1063013873 /nfs/dbraw/zinc/01/38/73/1063013873.db2.gz VPGDPIGWLHDBIS-CVEARBPZSA-N 1 3 322.443 4.017 20 0 DIADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@@H](c2ccc(F)c(F)c2)C1(C)C ZINC001460721487 1063013897 /nfs/dbraw/zinc/01/38/97/1063013897.db2.gz VPGDPIGWLHDBIS-CVEARBPZSA-N 1 3 322.443 4.017 20 0 DIADHO CCOc1ccc([C@H]2CCCN2C2CC[NH+](C(C)C)CC2)cc1 ZINC001257215922 1063142900 /nfs/dbraw/zinc/14/29/00/1063142900.db2.gz AOXIINCAQOQPQW-HXUWFJFHSA-N 1 3 316.489 4.095 20 0 DIADHO CCC[C@H](CC)[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001257250011 1063157395 /nfs/dbraw/zinc/15/73/95/1063157395.db2.gz HKNCIUBBZNVEKE-SFHVURJKSA-N 1 3 306.469 4.206 20 0 DIADHO CCC[C@H](CC)[NH+]1CCC(N)(Cc2ccc(Cl)cc2)CC1 ZINC001257254026 1063159133 /nfs/dbraw/zinc/15/91/33/1063159133.db2.gz ZWVWGKUVGLOTGJ-KRWDZBQOSA-N 1 3 308.897 4.255 20 0 DIADHO CCN(CC)CCC[NH2+]C[C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001461002122 1063177082 /nfs/dbraw/zinc/17/70/82/1063177082.db2.gz QUQMCWABTRUFKI-GOSISDBHSA-N 1 3 318.549 4.484 20 0 DIADHO CCC[C@@H](C[NH2+]C1CCN(CC(C)C)CC1)c1ccccc1 ZINC001461033479 1063202229 /nfs/dbraw/zinc/20/22/29/1063202229.db2.gz XZSLDFSFEGUCOP-IBGZPJMESA-N 1 3 302.506 4.280 20 0 DIADHO CCCN1C[C@H]2C[NH+](C3CCC(C(C)(C)CC)CC3)C[C@@H]2C1 ZINC001257408059 1063257595 /nfs/dbraw/zinc/25/75/95/1063257595.db2.gz XHAMVUGZOYACRA-YXWAVELNSA-N 1 3 306.538 4.255 20 0 DIADHO CCC[C@H](C[NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccccc1 ZINC001461170776 1063308954 /nfs/dbraw/zinc/30/89/54/1063308954.db2.gz MVGMKCZSPNHLCU-AZUAARDMSA-N 1 3 302.506 4.280 20 0 DIADHO CC[C@H]([NH2+]C1CCN(CC(C)C)CC1)c1cc(C)cc(C)c1 ZINC001258009218 1063461860 /nfs/dbraw/zinc/46/18/60/1063461860.db2.gz RSKSVYXIZCTKLK-FQEVSTJZSA-N 1 3 302.506 4.465 20 0 DIADHO CC[C@H](NC1CC[NH+](CC(C)C)CC1)c1cc(C)cc(C)c1 ZINC001258009218 1063461872 /nfs/dbraw/zinc/46/18/72/1063461872.db2.gz RSKSVYXIZCTKLK-FQEVSTJZSA-N 1 3 302.506 4.465 20 0 DIADHO CC(C)CN1CCC([NH2+]C2(c3cccc(Cl)c3)CCC2)CC1 ZINC001258008198 1063462276 /nfs/dbraw/zinc/46/22/76/1063462276.db2.gz KIGYCUDXAXQNHU-UHFFFAOYSA-N 1 3 320.908 4.429 20 0 DIADHO CC(C)CN1CCC([N@@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001258014390 1063462856 /nfs/dbraw/zinc/46/28/56/1063462856.db2.gz ILKSBTJPSWHPLV-LJQANCHMSA-N 1 3 304.453 4.083 20 0 DIADHO CC(C)CN1CCC([N@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001258014390 1063462865 /nfs/dbraw/zinc/46/28/65/1063462865.db2.gz ILKSBTJPSWHPLV-LJQANCHMSA-N 1 3 304.453 4.083 20 0 DIADHO CC(C)C[NH+]1CCC(N2CCCC[C@@H]2c2ccccc2)CC1 ZINC001258012585 1063462910 /nfs/dbraw/zinc/46/29/10/1063462910.db2.gz ZTGZRBMZQYKXQQ-HXUWFJFHSA-N 1 3 300.490 4.334 20 0 DIADHO CC(C)CN1CCC([NH2+]CC(C)(C)Cc2ccc(F)cc2)CC1 ZINC001258008041 1063463946 /nfs/dbraw/zinc/46/39/46/1063463946.db2.gz ZLTRKMCQSSXEMW-UHFFFAOYSA-N 1 3 320.496 4.104 20 0 DIADHO COc1ccc(C2([NH3+])CCN([C@H](C)CCC=C(C)C)CC2)cc1 ZINC001258086851 1063509877 /nfs/dbraw/zinc/50/98/77/1063509877.db2.gz DQAUOBZHAQTLJR-QGZVFWFLSA-N 1 3 316.489 4.080 20 0 DIADHO CCC[C@@H](C[NH2+]CC(C)(C)CN1CCCC1)c1ccccc1 ZINC001461468675 1063526790 /nfs/dbraw/zinc/52/67/90/1063526790.db2.gz CKYGMPSWPULKSD-IBGZPJMESA-N 1 3 302.506 4.282 20 0 DIADHO Cc1ccc(C)c(CNC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001258131421 1063528379 /nfs/dbraw/zinc/52/83/79/1063528379.db2.gz IWRHYXBHHGPCGY-UHFFFAOYSA-N 1 3 322.496 4.100 20 0 DIADHO CCN(Cc1ccccc1)C1CC[NH+]([C@@H](C)CCSC)CC1 ZINC001258219156 1063566666 /nfs/dbraw/zinc/56/66/66/1063566666.db2.gz DATBITIMFGVORE-KRWDZBQOSA-N 1 3 320.546 4.115 20 0 DIADHO CCCCC[C@@H](CC)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001258434163 1063651682 /nfs/dbraw/zinc/65/16/82/1063651682.db2.gz KKKIMNGQHLXPOQ-HXUWFJFHSA-N 1 3 317.521 4.242 20 0 DIADHO CC1(C)CC[C@H]([NH+]2CCC(N)(Cc3ccc(Cl)cc3)CC2)C1 ZINC001258598466 1063702067 /nfs/dbraw/zinc/70/20/67/1063702067.db2.gz TVWUZSDVCKONNS-KRWDZBQOSA-N 1 3 320.908 4.255 20 0 DIADHO CCC[C@@H](Cc1ccccc1)N1CCC([NH+](CC)CC)CC1 ZINC001258658499 1063730694 /nfs/dbraw/zinc/73/06/94/1063730694.db2.gz GTIDPNWPTHWYOE-FQEVSTJZSA-N 1 3 302.506 4.204 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)N1CCC([NH3+])(CC2CC2)CC1 ZINC001258708368 1063765418 /nfs/dbraw/zinc/76/54/18/1063765418.db2.gz WRVKEQTYUSUIEI-FQEVSTJZSA-N 1 3 314.517 4.381 20 0 DIADHO CCCN1CCC([NH2+]C2(c3ccccc3Cl)CCC2)CC1 ZINC001258769690 1063812646 /nfs/dbraw/zinc/81/26/46/1063812646.db2.gz BPWZNSXOZASKBL-UHFFFAOYSA-N 1 3 306.881 4.183 20 0 DIADHO CCC[NH+]1CCC(N2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC001258772182 1063817225 /nfs/dbraw/zinc/81/72/25/1063817225.db2.gz JWJUGAXQTNPPDW-UHFFFAOYSA-N 1 3 320.908 4.394 20 0 DIADHO CC[C@H](C[C@@H](C)CC)[NH+]1CCC(N)(Cc2ccccc2)CC1 ZINC001258785881 1063823173 /nfs/dbraw/zinc/82/31/73/1063823173.db2.gz JPQLJCQZMNCJEM-PKOBYXMFSA-N 1 3 302.506 4.237 20 0 DIADHO CC(C)C1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC001258802308 1063835626 /nfs/dbraw/zinc/83/56/26/1063835626.db2.gz LAZOERJXVSMRKV-UHFFFAOYSA-N 1 3 306.538 4.445 20 0 DIADHO CC(C)C1CCC(N2CCC([NH3+])(c3ccc(F)cc3)CC2)CC1 ZINC001258802336 1063836662 /nfs/dbraw/zinc/83/66/62/1063836662.db2.gz LUGULZGMESKFQW-UHFFFAOYSA-N 1 3 318.480 4.290 20 0 DIADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N)(Cc3ccc(Cl)cc3)CC2)C1 ZINC001258811854 1063841274 /nfs/dbraw/zinc/84/12/74/1063841274.db2.gz GJVMCWCBTIXUMQ-QAPCUYQASA-N 1 3 320.908 4.255 20 0 DIADHO CC[C@H](Cc1ccccc1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001258842802 1063862210 /nfs/dbraw/zinc/86/22/10/1063862210.db2.gz SIUREDAVPPCKAR-HXUWFJFHSA-N 1 3 314.517 4.252 20 0 DIADHO CC[C@@H](Cc1ccccc1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001258841677 1063862326 /nfs/dbraw/zinc/86/23/26/1063862326.db2.gz PVTTVCROTRHPRL-KRWDZBQOSA-N 1 3 302.506 4.249 20 0 DIADHO CC[C@H](Cc1ccccc1)N1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001258844495 1063863717 /nfs/dbraw/zinc/86/37/17/1063863717.db2.gz RTPNPUZFPIJUCP-OAQYLSRUSA-N 1 3 322.496 4.044 20 0 DIADHO CC[C@H](Cc1ccccc1)[NH+]1CCC(N)(Cc2ccccc2)CC1 ZINC001258844495 1063863728 /nfs/dbraw/zinc/86/37/28/1063863728.db2.gz RTPNPUZFPIJUCP-OAQYLSRUSA-N 1 3 322.496 4.044 20 0 DIADHO CC[NH+](CC)CCC[C@@H](C)NCc1c(Cl)ccc(C)c1F ZINC001258898587 1063875059 /nfs/dbraw/zinc/87/50/59/1063875059.db2.gz MACMPHSDDIKIBF-CQSZACIVSA-N 1 3 314.876 4.388 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)N[C@@H](c1ncccc1Cl)C1CC1 ZINC001258904690 1063877727 /nfs/dbraw/zinc/87/77/27/1063877727.db2.gz KCVHMMGJXVQUFK-WMLDXEAASA-N 1 3 323.912 4.286 20 0 DIADHO CC[NH+](CC)CCC[C@@H](C)N1CCc2ccc(Cl)cc2C1 ZINC001258907911 1063880097 /nfs/dbraw/zinc/88/00/97/1063880097.db2.gz OCHAGTIKFIMJEL-OAHLLOKOSA-N 1 3 308.897 4.209 20 0 DIADHO Cc1cc(F)ccc1C[NH2+]CC[C@@H](C)N(C)Cc1ccccc1 ZINC000379615849 1063984453 /nfs/dbraw/zinc/98/44/53/1063984453.db2.gz BHPXZESBPZEOIJ-QGZVFWFLSA-N 1 3 314.448 4.134 20 0 DIADHO Cc1ccc(C)c(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379635005 1063985420 /nfs/dbraw/zinc/98/54/20/1063985420.db2.gz PZTGDESPVQJSQC-DENIHFKCSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1ccc(C)c(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379635005 1063985429 /nfs/dbraw/zinc/98/54/29/1063985429.db2.gz PZTGDESPVQJSQC-DENIHFKCSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1 ZINC000379637583 1063985472 /nfs/dbraw/zinc/98/54/72/1063985472.db2.gz SMXOWCWZQJJGMJ-UGKGYDQZSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1 ZINC000379637583 1063985479 /nfs/dbraw/zinc/98/54/79/1063985479.db2.gz SMXOWCWZQJJGMJ-UGKGYDQZSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1ccc(C)c(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379635009 1063985723 /nfs/dbraw/zinc/98/57/23/1063985723.db2.gz PZTGDESPVQJSQC-SIKLNZKXSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1ccc(C)c(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379635009 1063985726 /nfs/dbraw/zinc/98/57/26/1063985726.db2.gz PZTGDESPVQJSQC-SIKLNZKXSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1 ZINC000379637578 1063985859 /nfs/dbraw/zinc/98/58/59/1063985859.db2.gz SMXOWCWZQJJGMJ-DENIHFKCSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1 ZINC000379637578 1063985870 /nfs/dbraw/zinc/98/58/70/1063985870.db2.gz SMXOWCWZQJJGMJ-DENIHFKCSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000379646685 1063986229 /nfs/dbraw/zinc/98/62/29/1063986229.db2.gz FYQJUTVCQQNSOE-GCJKJVERSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000379646685 1063986237 /nfs/dbraw/zinc/98/62/37/1063986237.db2.gz FYQJUTVCQQNSOE-GCJKJVERSA-N 1 3 322.496 4.446 20 0 DIADHO CCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379638983 1063986312 /nfs/dbraw/zinc/98/63/12/1063986312.db2.gz VFCXYQNJNHMBOK-XMSQKQJNSA-N 1 3 322.496 4.392 20 0 DIADHO CCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379638983 1063986323 /nfs/dbraw/zinc/98/63/23/1063986323.db2.gz VFCXYQNJNHMBOK-XMSQKQJNSA-N 1 3 322.496 4.392 20 0 DIADHO CCC[C@H](CC)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000381310646 1063992239 /nfs/dbraw/zinc/99/22/39/1063992239.db2.gz NROZXSNYZUWQOG-VNTMZGSJSA-N 1 3 300.490 4.065 20 0 DIADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000381810945 1063993523 /nfs/dbraw/zinc/99/35/23/1063993523.db2.gz ZSOFQPQFINGWNB-BVJIBDCISA-N 1 3 312.501 4.065 20 0 DIADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC001307477730 1065423066 /nfs/dbraw/zinc/42/30/66/1065423066.db2.gz NJFAUHLMXASUTG-LFGUQSLTSA-N 1 3 304.522 4.009 20 0 DIADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC001307477730 1065423070 /nfs/dbraw/zinc/42/30/70/1065423070.db2.gz NJFAUHLMXASUTG-LFGUQSLTSA-N 1 3 304.522 4.009 20 0 DIADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC001307477734 1065424340 /nfs/dbraw/zinc/42/43/40/1065424340.db2.gz NJFAUHLMXASUTG-XEYPJELSSA-N 1 3 304.522 4.009 20 0 DIADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC001307477734 1065424344 /nfs/dbraw/zinc/42/43/44/1065424344.db2.gz NJFAUHLMXASUTG-XEYPJELSSA-N 1 3 304.522 4.009 20 0 DIADHO Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c(C)c1 ZINC001307524792 1065461788 /nfs/dbraw/zinc/46/17/88/1065461788.db2.gz ZUJFNALSTLCEBI-GBESFXJTSA-N 1 3 300.490 4.089 20 0 DIADHO Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c(C)c1 ZINC001307524792 1065461795 /nfs/dbraw/zinc/46/17/95/1065461795.db2.gz ZUJFNALSTLCEBI-GBESFXJTSA-N 1 3 300.490 4.089 20 0 DIADHO CN1CCC[C@H]1CC[NH2+][C@H](CC1CCCC1)c1ccccc1 ZINC001307634475 1065531094 /nfs/dbraw/zinc/53/10/94/1065531094.db2.gz GRZLIUCWSODFLN-VQTJNVASSA-N 1 3 300.490 4.382 20 0 DIADHO C[N@@H+]1CCC[C@H]1CCN[C@H](CC1CCCC1)c1ccccc1 ZINC001307634475 1065531105 /nfs/dbraw/zinc/53/11/05/1065531105.db2.gz GRZLIUCWSODFLN-VQTJNVASSA-N 1 3 300.490 4.382 20 0 DIADHO C[N@H+]1CCC[C@H]1CCN[C@H](CC1CCCC1)c1ccccc1 ZINC001307634475 1065531113 /nfs/dbraw/zinc/53/11/13/1065531113.db2.gz GRZLIUCWSODFLN-VQTJNVASSA-N 1 3 300.490 4.382 20 0 DIADHO CCc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC001307680620 1065559262 /nfs/dbraw/zinc/55/92/62/1065559262.db2.gz JCVNPUNUPMDYJZ-LJQANCHMSA-N 1 3 310.485 4.318 20 0 DIADHO CCc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC001307680620 1065559270 /nfs/dbraw/zinc/55/92/70/1065559270.db2.gz JCVNPUNUPMDYJZ-LJQANCHMSA-N 1 3 310.485 4.318 20 0 DIADHO C[C@H](c1ccccc1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001307764741 1065611686 /nfs/dbraw/zinc/61/16/86/1065611686.db2.gz ZGUGKUFYRNINAG-KNQAVFIVSA-N 1 3 320.480 4.346 20 0 DIADHO C[C@H](c1ccccc1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001307764741 1065611691 /nfs/dbraw/zinc/61/16/91/1065611691.db2.gz ZGUGKUFYRNINAG-KNQAVFIVSA-N 1 3 320.480 4.346 20 0 DIADHO Cc1cccc([C@@H](C)[NH+]2CCC(NCc3ccccc3)CC2)c1 ZINC001307785432 1065619139 /nfs/dbraw/zinc/61/91/39/1065619139.db2.gz KPOQLBJHZAWEGH-GOSISDBHSA-N 1 3 308.469 4.310 20 0 DIADHO Cc1cc(C)c([C@H](C)[N@@H+]2CCCN(c3ccncc3)CC2)c(C)c1 ZINC001307875813 1065665310 /nfs/dbraw/zinc/66/53/10/1065665310.db2.gz SOZUHHGPIAZCEA-IBGZPJMESA-N 1 3 323.484 4.280 20 0 DIADHO Cc1cc(C)c([C@H](C)[N@H+]2CCCN(c3ccncc3)CC2)c(C)c1 ZINC001307875813 1065665314 /nfs/dbraw/zinc/66/53/14/1065665314.db2.gz SOZUHHGPIAZCEA-IBGZPJMESA-N 1 3 323.484 4.280 20 0 DIADHO Cc1ccccc1CN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308183392 1065794791 /nfs/dbraw/zinc/79/47/91/1065794791.db2.gz CGOSQBIYHXMMHK-FQEVSTJZSA-N 1 3 308.469 4.138 20 0 DIADHO Cc1ccccc1CN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308183392 1065794801 /nfs/dbraw/zinc/79/48/01/1065794801.db2.gz CGOSQBIYHXMMHK-FQEVSTJZSA-N 1 3 308.469 4.138 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@H](C)C[C@@H](c3ccccc3)C2)C1 ZINC001308225222 1065831042 /nfs/dbraw/zinc/83/10/42/1065831042.db2.gz OHOVEAMLBNWPSN-VURPSTOHSA-N 1 3 314.517 4.280 20 0 DIADHO Cc1ccccc1-c1cccc(C[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC001308465575 1066006322 /nfs/dbraw/zinc/00/63/22/1066006322.db2.gz QWOJDAMDSYWEAI-FQEVSTJZSA-N 1 3 322.496 4.484 20 0 DIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(CC3CCC3)c2)[C@H](C)C1 ZINC001308567727 1066078231 /nfs/dbraw/zinc/07/82/31/1066078231.db2.gz KLEJUFXXJDBNER-DYESRHJHSA-N 1 3 314.517 4.191 20 0 DIADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(CC3CCC3)c2)[C@H](C)C1 ZINC001308567727 1066078238 /nfs/dbraw/zinc/07/82/38/1066078238.db2.gz KLEJUFXXJDBNER-DYESRHJHSA-N 1 3 314.517 4.191 20 0 DIADHO CN1CCCC[C@H]1CC[N@H+](C)Cc1ccc(F)c2ccccc12 ZINC001308600249 1066110532 /nfs/dbraw/zinc/11/05/32/1066110532.db2.gz JXXHOESWQZTXCN-KRWDZBQOSA-N 1 3 314.448 4.285 20 0 DIADHO CN1CCCC[C@H]1CC[N@@H+](C)Cc1ccc(F)c2ccccc12 ZINC001308600249 1066110536 /nfs/dbraw/zinc/11/05/36/1066110536.db2.gz JXXHOESWQZTXCN-KRWDZBQOSA-N 1 3 314.448 4.285 20 0 DIADHO CSC(C)(C)CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001308617349 1066120839 /nfs/dbraw/zinc/12/08/39/1066120839.db2.gz BGQKITUZBATRLD-QGZVFWFLSA-N 1 3 312.567 4.106 20 0 DIADHO CSC(C)(C)CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001308617348 1066120825 /nfs/dbraw/zinc/12/08/25/1066120825.db2.gz BGQKITUZBATRLD-KRWDZBQOSA-N 1 3 312.567 4.106 20 0 DIADHO C[C@H]([NH2+]C1CCC2(CCC2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC001308682048 1066154095 /nfs/dbraw/zinc/15/40/95/1066154095.db2.gz KCQDSAZLUSFWTQ-IRXDYDNUSA-N 1 3 304.522 4.342 20 0 DIADHO Cc1cc(C)c(/C=C/CN2CCCC23CC[NH+](C)CC3)c(C)c1 ZINC001308689976 1066182377 /nfs/dbraw/zinc/18/23/77/1066182377.db2.gz SEEMGMKCZDVHQK-FNORWQNLSA-N 1 3 312.501 4.185 20 0 DIADHO Cc1cc(C)c(/C=C/C[N@H+]2CCCC23CCN(C)CC3)c(C)c1 ZINC001308689976 1066182382 /nfs/dbraw/zinc/18/23/82/1066182382.db2.gz SEEMGMKCZDVHQK-FNORWQNLSA-N 1 3 312.501 4.185 20 0 DIADHO Cc1cc(C)c(/C=C/C[N@@H+]2CCCC23CCN(C)CC3)c(C)c1 ZINC001308689976 1066182384 /nfs/dbraw/zinc/18/23/84/1066182384.db2.gz SEEMGMKCZDVHQK-FNORWQNLSA-N 1 3 312.501 4.185 20 0 DIADHO CC[N@H+](CCCN1CCCC1)Cc1ccc(C2CCC2)cc1 ZINC001308744114 1066220215 /nfs/dbraw/zinc/22/02/15/1066220215.db2.gz AMYAAGZWXOTJQU-UHFFFAOYSA-N 1 3 300.490 4.262 20 0 DIADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(C2CCC2)cc1 ZINC001308744114 1066220223 /nfs/dbraw/zinc/22/02/23/1066220223.db2.gz AMYAAGZWXOTJQU-UHFFFAOYSA-N 1 3 300.490 4.262 20 0 DIADHO C[C@H](CC[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)N(C)C ZINC001308882795 1066364018 /nfs/dbraw/zinc/36/40/18/1066364018.db2.gz NBMVPYCYADEOAX-QGPMSJSTSA-N 1 3 308.897 4.296 20 0 DIADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCC[C@@H]3C3CCCCC3)[C@H]2C1 ZINC001308985103 1066432957 /nfs/dbraw/zinc/43/29/57/1066432957.db2.gz SDBJXUGGPFZARB-YHDCXSKOSA-N 1 3 304.522 4.055 20 0 DIADHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccc(Cl)cn1 ZINC000274930781 130275329 /nfs/dbraw/zinc/27/53/29/130275329.db2.gz QTPNQWXFZNFNHX-CABCVRRESA-N 1 3 309.885 4.040 20 0 DIADHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccc(Cl)cn1 ZINC000274930781 130275330 /nfs/dbraw/zinc/27/53/30/130275330.db2.gz QTPNQWXFZNFNHX-CABCVRRESA-N 1 3 309.885 4.040 20 0 DIADHO Cc1ccc([C@H](C)[NH2+]C2CCN(c3ccncc3)CC2)cc1C ZINC000298229987 132051927 /nfs/dbraw/zinc/05/19/27/132051927.db2.gz BFUDSXYGVNHNOM-KRWDZBQOSA-N 1 3 309.457 4.018 20 0 DIADHO Cc1ccc([C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C2CC2)cc1 ZINC000298490935 132065069 /nfs/dbraw/zinc/06/50/69/132065069.db2.gz PYIIPUMIVWZEGG-OAQYLSRUSA-N 1 3 321.468 4.100 20 0 DIADHO C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000121712907 132157766 /nfs/dbraw/zinc/15/77/66/132157766.db2.gz IAWOWOYFGHYPLE-GOSISDBHSA-N 1 3 308.469 4.044 20 0 DIADHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000262057282 331915613 /nfs/dbraw/zinc/91/56/13/331915613.db2.gz DNARXWPXYMCWMN-YIDVYQOGSA-N 1 3 318.427 4.008 20 0 DIADHO C[N@@H+]1CC[C@H](NC/C=C\c2ccccc2)C[C@@H]1c1ccccc1 ZINC000518407649 332027380 /nfs/dbraw/zinc/02/73/80/332027380.db2.gz HONSJOIAGSPZEK-RCPLKNEXSA-N 1 3 306.453 4.125 20 0 DIADHO C[N@H+]1CC[C@H](NC/C=C\c2ccccc2)C[C@@H]1c1ccccc1 ZINC000518407649 332027381 /nfs/dbraw/zinc/02/73/81/332027381.db2.gz HONSJOIAGSPZEK-RCPLKNEXSA-N 1 3 306.453 4.125 20 0 DIADHO C[C@@H](NCCCCC[NH+]1CCCC1)c1ccc(F)cc1Cl ZINC000559891001 332289975 /nfs/dbraw/zinc/28/99/75/332289975.db2.gz RDACXEDLJXIJEK-CQSZACIVSA-N 1 3 312.860 4.396 20 0 DIADHO CCCCOc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000560251968 332323654 /nfs/dbraw/zinc/32/36/54/332323654.db2.gz NELGXSKCYRNDED-IAGOWNOFSA-N 1 3 316.489 4.000 20 0 DIADHO CCCCOc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000560251968 332323655 /nfs/dbraw/zinc/32/36/55/332323655.db2.gz NELGXSKCYRNDED-IAGOWNOFSA-N 1 3 316.489 4.000 20 0 DIADHO CC(C)[N@H+](C)CC1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000574250837 332336452 /nfs/dbraw/zinc/33/64/52/332336452.db2.gz LGTWHDDKZYGCCX-UHFFFAOYSA-N 1 3 310.432 4.176 20 0 DIADHO CC(C)[N@@H+](C)CC1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000574250837 332336453 /nfs/dbraw/zinc/33/64/53/332336453.db2.gz LGTWHDDKZYGCCX-UHFFFAOYSA-N 1 3 310.432 4.176 20 0 DIADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)NCc1ccc(C[NH3+])cc1 ZINC000564989422 332384206 /nfs/dbraw/zinc/38/42/06/332384206.db2.gz YXRKQSGVDUZZGA-GFCCVEGCSA-N 1 3 317.502 4.059 20 0 DIADHO C[C@H]1CCC[C@H](N2CCC([NH2+]C3CCC4(CC4)CC3)CC2)C1 ZINC000562580014 332606967 /nfs/dbraw/zinc/60/69/67/332606967.db2.gz MGUMWMZJFGRYDP-LPHOPBHVSA-N 1 3 304.522 4.342 20 0 DIADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)C1 ZINC000464061978 332635539 /nfs/dbraw/zinc/63/55/39/332635539.db2.gz LZODKSAYZGTGJT-ZSYWTGECSA-N 1 3 300.490 4.031 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CCC2(CCCCC2)CC1 ZINC000572630205 332667908 /nfs/dbraw/zinc/66/79/08/332667908.db2.gz DWDXOLWYPVHPQO-OAHLLOKOSA-N 1 3 315.505 4.392 20 0 DIADHO C[C@H]([NH3+])C1CCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000110649123 333040088 /nfs/dbraw/zinc/04/00/88/333040088.db2.gz NVTIWAXPORQKKP-NSHDSACASA-N 1 3 308.878 4.114 20 0 DIADHO [NH3+]Cc1ccc(CN[C@@H]2CCCCc3ccc(Cl)cc32)cc1 ZINC000518770819 333075736 /nfs/dbraw/zinc/07/57/36/333075736.db2.gz ACGLWBAJYRFSFJ-LJQANCHMSA-N 1 3 314.860 4.356 20 0 DIADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000537936708 333111530 /nfs/dbraw/zinc/11/15/30/333111530.db2.gz DYXOCCVBNVZQRE-PMACEKPBSA-N 1 3 315.505 4.102 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000497518138 333258883 /nfs/dbraw/zinc/25/88/83/333258883.db2.gz KTIHRCOYVSPXGD-UZLBHIALSA-N 1 3 316.464 4.083 20 0 DIADHO C[C@H](C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)CN1CCCC1 ZINC000497823625 333297085 /nfs/dbraw/zinc/29/70/85/333297085.db2.gz TYJHWHPPLCZGKT-OXQOHEQNSA-N 1 3 316.464 4.083 20 0 DIADHO CC(C)N(C)CCC[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000497831357 333299073 /nfs/dbraw/zinc/29/90/73/333299073.db2.gz ISMKRVKQVZHAKV-IBGZPJMESA-N 1 3 304.453 4.082 20 0 DIADHO c1ccc2c(c1)cccc2CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000525786578 333312254 /nfs/dbraw/zinc/31/22/54/333312254.db2.gz FJFJDMFWTULWDY-SFHVURJKSA-N 1 3 308.469 4.148 20 0 DIADHO c1ccc2c(c1)cccc2C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000525786578 333312255 /nfs/dbraw/zinc/31/22/55/333312255.db2.gz FJFJDMFWTULWDY-SFHVURJKSA-N 1 3 308.469 4.148 20 0 DIADHO c1ccc2c(c1)cccc2C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000525786578 333312257 /nfs/dbraw/zinc/31/22/57/333312257.db2.gz FJFJDMFWTULWDY-SFHVURJKSA-N 1 3 308.469 4.148 20 0 DIADHO C[C@@H](c1cccc2ccccc21)[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000525787124 333313324 /nfs/dbraw/zinc/31/33/24/333313324.db2.gz OJVACZQPIQVZBV-ZWKOTPCHSA-N 1 3 308.469 4.319 20 0 DIADHO C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000525787124 333313326 /nfs/dbraw/zinc/31/33/26/333313326.db2.gz OJVACZQPIQVZBV-ZWKOTPCHSA-N 1 3 308.469 4.319 20 0 DIADHO C[C@@H](c1cccc2ccccc21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000525787124 333313327 /nfs/dbraw/zinc/31/33/27/333313327.db2.gz OJVACZQPIQVZBV-ZWKOTPCHSA-N 1 3 308.469 4.319 20 0 DIADHO Cc1ccc([C@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000390756993 333324302 /nfs/dbraw/zinc/32/43/02/333324302.db2.gz WXEQOQRNQNMWFQ-AZUAARDMSA-N 1 3 308.469 4.168 20 0 DIADHO Cc1ccc([C@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000390756993 333324303 /nfs/dbraw/zinc/32/43/03/333324303.db2.gz WXEQOQRNQNMWFQ-AZUAARDMSA-N 1 3 308.469 4.168 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCc3ccc(C)cc32)c1 ZINC000123964552 333339988 /nfs/dbraw/zinc/33/99/88/333339988.db2.gz RBGZCSCOZDWXRY-NRFANRHFSA-N 1 3 308.469 4.224 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCc3ccc(C)cc32)c1 ZINC000123964552 333339989 /nfs/dbraw/zinc/33/99/89/333339989.db2.gz RBGZCSCOZDWXRY-NRFANRHFSA-N 1 3 308.469 4.224 20 0 DIADHO c1ccc2c(c1)CC[C@@H]2NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000531690526 333545634 /nfs/dbraw/zinc/54/56/34/333545634.db2.gz WGUDQMBKQMSNPO-QFIPXVFZSA-N 1 3 320.480 4.450 20 0 DIADHO Cc1ccncc1[C@H](C)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000271369324 334021786 /nfs/dbraw/zinc/02/17/86/334021786.db2.gz GJDHJYMHFZEKGV-KRWDZBQOSA-N 1 3 311.473 4.081 20 0 DIADHO Cc1ccncc1[C@H](C)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000271369324 334021787 /nfs/dbraw/zinc/02/17/87/334021787.db2.gz GJDHJYMHFZEKGV-KRWDZBQOSA-N 1 3 311.473 4.081 20 0 DIADHO CC(C)C[C@H](Cc1cccc(Cl)c1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414833291 334110891 /nfs/dbraw/zinc/11/08/91/334110891.db2.gz RQNUBQPLTFQSPD-MHYDHLEJSA-N 1 3 320.908 4.170 20 0 DIADHO C[C@@H](NCc1ccc(-c2cccc(F)c2)s1)[C@H]1CCC[NH2+]C1 ZINC000414849072 334121120 /nfs/dbraw/zinc/12/11/20/334121120.db2.gz HCXOPHDRKCKOFE-HIFRSBDPSA-N 1 3 318.461 4.032 20 0 DIADHO C[C@H](NCc1ccc(-c2ccc(F)cc2)s1)[C@H]1CCC[NH2+]C1 ZINC000414856583 334129702 /nfs/dbraw/zinc/12/97/02/334129702.db2.gz OLQBLSQCJQODEV-ZFWWWQNUSA-N 1 3 318.461 4.032 20 0 DIADHO C[C@@H](NC1CCC(C[NH3+])CC1)c1cccc(Cl)c1Cl ZINC000415086729 334275215 /nfs/dbraw/zinc/27/52/15/334275215.db2.gz KDFXUBJQLBIFTN-VOMCLLRMSA-N 1 3 301.261 4.162 20 0 DIADHO CC(C)(C)c1ncc(CN[C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000415047033 334261398 /nfs/dbraw/zinc/26/13/98/334261398.db2.gz DMHRGFCUXPCRFV-INIZCTEOSA-N 1 3 317.502 4.010 20 0 DIADHO [NH3+]CCC[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000415056650 334261824 /nfs/dbraw/zinc/26/18/24/334261824.db2.gz QBLIPQYCDKZPHD-KRWDZBQOSA-N 1 3 322.374 4.275 20 0 DIADHO Cc1cc(CN[C@H](CCC[NH3+])c2ccccc2)ccc1Cl ZINC000415058592 334262126 /nfs/dbraw/zinc/26/21/26/334262126.db2.gz UDSUZYPIIUFVOQ-GOSISDBHSA-N 1 3 302.849 4.218 20 0 DIADHO C[C@H](N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000415117068 334283882 /nfs/dbraw/zinc/28/38/82/334283882.db2.gz FWALRRLGILVVJB-KYNGSXCRSA-N 1 3 314.860 4.484 20 0 DIADHO C[N@H+](CCCCNCc1ccc(F)c(Cl)c1Cl)C1CC1 ZINC000453596964 334288474 /nfs/dbraw/zinc/28/84/74/334288474.db2.gz MMACMLMLBIOHQW-UHFFFAOYSA-N 1 3 319.251 4.097 20 0 DIADHO C[N@@H+](CCCCNCc1ccc(F)c(Cl)c1Cl)C1CC1 ZINC000453596964 334288475 /nfs/dbraw/zinc/28/84/75/334288475.db2.gz MMACMLMLBIOHQW-UHFFFAOYSA-N 1 3 319.251 4.097 20 0 DIADHO COc1ccc([C@H](CCC(C)C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000531972456 334336594 /nfs/dbraw/zinc/33/65/94/334336594.db2.gz YYSCOLBQWBYDOV-XLIONFOSSA-N 1 3 318.505 4.104 20 0 DIADHO COc1ccc([C@H](CCC(C)C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000531972456 334336596 /nfs/dbraw/zinc/33/65/96/334336596.db2.gz YYSCOLBQWBYDOV-XLIONFOSSA-N 1 3 318.505 4.104 20 0 DIADHO CC1CCN(CCC[NH2+]Cc2csc3ccccc23)CC1 ZINC000049943330 334359702 /nfs/dbraw/zinc/35/97/02/334359702.db2.gz RFEBAPKJWBKIGT-UHFFFAOYSA-N 1 3 302.487 4.113 20 0 DIADHO C[C@@H]1C[C@@H](N[C@@H](CC2CC2)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000345283789 335313681 /nfs/dbraw/zinc/31/36/81/335313681.db2.gz BLCZVFVILVNPOV-BVGQSLNGSA-N 1 3 306.881 4.254 20 0 DIADHO C[C@@H]1C[C@@H](N[C@@H](CC2CC2)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000345283789 335313682 /nfs/dbraw/zinc/31/36/82/335313682.db2.gz BLCZVFVILVNPOV-BVGQSLNGSA-N 1 3 306.881 4.254 20 0 DIADHO Clc1ccc([C@H](CC2CC2)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000345682949 335341396 /nfs/dbraw/zinc/34/13/96/335341396.db2.gz NYAGBTZIDFBSLZ-BEFAXECRSA-N 1 3 318.892 4.255 20 0 DIADHO Clc1ccc([C@H](CC2CC2)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000345682949 335341399 /nfs/dbraw/zinc/34/13/99/335341399.db2.gz NYAGBTZIDFBSLZ-BEFAXECRSA-N 1 3 318.892 4.255 20 0 DIADHO CC1(C)CC([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC(C)(C)N1 ZINC000367043150 335596951 /nfs/dbraw/zinc/59/69/51/335596951.db2.gz NSNGREQACSJCSQ-WBVHZDCISA-N 1 3 315.505 4.007 20 0 DIADHO c1cc(N2CCC([NH2+][C@H]3CCCCC34CCCC4)CC2)ccn1 ZINC000324186462 336106594 /nfs/dbraw/zinc/10/65/94/336106594.db2.gz YGUPVTAPMUOUSR-IBGZPJMESA-N 1 3 313.489 4.143 20 0 DIADHO CSc1ccc([C@H](C)[NH2+]CCCN2CCCCC2)cc1F ZINC000532454683 336248189 /nfs/dbraw/zinc/24/81/89/336248189.db2.gz PXXNZYUNDUERPD-AWEZNQCLSA-N 1 3 310.482 4.074 20 0 DIADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc2c(c1)CCCC2 ZINC000532455079 336248251 /nfs/dbraw/zinc/24/82/51/336248251.db2.gz FSJDYZNPAKWUSR-QGZVFWFLSA-N 1 3 322.496 4.478 20 0 DIADHO Cc1cccc([C@H](C)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000532485498 336251638 /nfs/dbraw/zinc/25/16/38/336251638.db2.gz RCGMXFZSPVFEMM-PZJWPPBQSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1cccc([C@H](C)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000532485498 336251639 /nfs/dbraw/zinc/25/16/39/336251639.db2.gz RCGMXFZSPVFEMM-PZJWPPBQSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c1 ZINC000532485498 336251640 /nfs/dbraw/zinc/25/16/40/336251640.db2.gz RCGMXFZSPVFEMM-PZJWPPBQSA-N 1 3 322.496 4.210 20 0 DIADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2cccs2)cc1 ZINC000532507083 336252727 /nfs/dbraw/zinc/25/27/27/336252727.db2.gz VOCFLXXDELDTBX-CVEARBPZSA-N 1 3 314.498 4.408 20 0 DIADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2cccs2)cc1 ZINC000532507083 336252728 /nfs/dbraw/zinc/25/27/28/336252728.db2.gz VOCFLXXDELDTBX-CVEARBPZSA-N 1 3 314.498 4.408 20 0 DIADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccccc1C(F)(F)F ZINC000532550983 336256129 /nfs/dbraw/zinc/25/61/29/336256129.db2.gz INSNGDFKTCNZDL-IHRRRGAJSA-N 1 3 314.395 4.229 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccccc1C(F)(F)F ZINC000532550982 336256253 /nfs/dbraw/zinc/25/62/53/336256253.db2.gz INSNGDFKTCNZDL-BFHYXJOUSA-N 1 3 314.395 4.229 20 0 DIADHO C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000417994416 336287119 /nfs/dbraw/zinc/28/71/19/336287119.db2.gz YVNKARUWPISPKG-WBKMXMRLSA-N 1 3 312.501 4.033 20 0 DIADHO CC(C)Sc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152443527 336384458 /nfs/dbraw/zinc/38/44/58/336384458.db2.gz JMGQLVPDFBGHPR-JKSUJKDBSA-N 1 3 318.530 4.322 20 0 DIADHO CC(C)Sc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152443527 336384459 /nfs/dbraw/zinc/38/44/59/336384459.db2.gz JMGQLVPDFBGHPR-JKSUJKDBSA-N 1 3 318.530 4.322 20 0 DIADHO CCC[NH+]1CCC(N[C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000035011957 336390977 /nfs/dbraw/zinc/39/09/77/336390977.db2.gz KNPZTXCIBJMSFT-SFHVURJKSA-N 1 3 306.881 4.255 20 0 DIADHO CCCOc1ccc([C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000193929001 337080653 /nfs/dbraw/zinc/08/06/53/337080653.db2.gz GWIGJYYGIZRNJW-MRXNPFEDSA-N 1 3 318.505 4.389 20 0 DIADHO c1cc2c(cccc2C[NH2+]C2CCN(C3CCCCC3)CC2)[nH]1 ZINC000177583027 337157875 /nfs/dbraw/zinc/15/78/75/337157875.db2.gz JOBTZIQRXVXJDC-UHFFFAOYSA-N 1 3 311.473 4.055 20 0 DIADHO Cc1nc(C)c([C@@H](C)NCCCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000178097514 337160518 /nfs/dbraw/zinc/16/05/18/337160518.db2.gz BPEKUTXKICBKJZ-UONOGXRCSA-N 1 3 309.523 4.065 20 0 DIADHO Cc1nc(C)c([C@@H](C)NCCCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000178097514 337160519 /nfs/dbraw/zinc/16/05/19/337160519.db2.gz BPEKUTXKICBKJZ-UONOGXRCSA-N 1 3 309.523 4.065 20 0 DIADHO Cc1sccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398020094 337304592 /nfs/dbraw/zinc/30/45/92/337304592.db2.gz JPKFGJFMNGBCPS-KXBFYZLASA-N 1 3 314.498 4.057 20 0 DIADHO Cc1sccc1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398020094 337304593 /nfs/dbraw/zinc/30/45/93/337304593.db2.gz JPKFGJFMNGBCPS-KXBFYZLASA-N 1 3 314.498 4.057 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000422709455 337683740 /nfs/dbraw/zinc/68/37/40/337683740.db2.gz DKFCQUNAAFRKOD-MGPUTAFESA-N 1 3 309.457 4.041 20 0 DIADHO CC[C@@H](C)[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000422791974 337686990 /nfs/dbraw/zinc/68/69/90/337686990.db2.gz YXOBMURDRHHVGI-WTTQAOBOSA-N 1 3 306.881 4.300 20 0 DIADHO C[C@H](NCC[C@H]1CCC[NH2+]C1)c1cc(Cl)sc1Cl ZINC000423261399 337707964 /nfs/dbraw/zinc/70/79/64/337707964.db2.gz SDTCOGWLWOIBFU-VHSXEESVSA-N 1 3 307.290 4.095 20 0 DIADHO c1ccc(-c2ccc3c(c2)[C@H](N[C@@H]2CCC[NH2+]CC2)CC3)cc1 ZINC000423057830 337697551 /nfs/dbraw/zinc/69/75/51/337697551.db2.gz AWZKXQHWSMHJDH-TZIWHRDSSA-N 1 3 306.453 4.073 20 0 DIADHO Clc1ccc([C@H]2C[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423099914 337699386 /nfs/dbraw/zinc/69/93/86/337699386.db2.gz URRLZELVXOUFHZ-RXABAKJHSA-N 1 3 318.892 4.096 20 0 DIADHO Clc1cccc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CCCNCC3)C2)c1 ZINC000423162649 337702069 /nfs/dbraw/zinc/70/20/69/337702069.db2.gz LKBVSMGPHWCIFD-KBAYOESNSA-N 1 3 306.881 4.098 20 0 DIADHO Clc1sc(Cl)c2c1CCC[C@@H]2NCC[C@H]1CC[NH2+]C1 ZINC000423247271 337707039 /nfs/dbraw/zinc/70/70/39/337707039.db2.gz KYFAFBCSEPKQKZ-KOLCDFICSA-N 1 3 319.301 4.022 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2cc3c(s2)CCCC3)cc1 ZINC000423292501 337710252 /nfs/dbraw/zinc/71/02/52/337710252.db2.gz NFLJKISAFGJKMU-ZIAGYGMSSA-N 1 3 314.498 4.497 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCSc3c(F)cccc32)cc1 ZINC000423292287 337710260 /nfs/dbraw/zinc/71/02/60/337710260.db2.gz MJODRANLCCLRLQ-SJKOYZFVSA-N 1 3 316.445 4.172 20 0 DIADHO CC(C)[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)cc1 ZINC000423370273 337715138 /nfs/dbraw/zinc/71/51/38/337715138.db2.gz FMVKAQUUOGWCHM-IBGZPJMESA-N 1 3 314.860 4.430 20 0 DIADHO CCc1c2ccccc2oc1[C@@H](C)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423396799 337715375 /nfs/dbraw/zinc/71/53/75/337715375.db2.gz SOYRUXAMRNHORM-CQSZACIVSA-N 1 3 320.436 4.449 20 0 DIADHO C[C@@H](CCCC[NH3+])N[C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000423431537 337718715 /nfs/dbraw/zinc/71/87/15/337718715.db2.gz LSMIOILOKIENLK-IINYFYTJSA-N 1 3 301.261 4.088 20 0 DIADHO C[C@H](NC[C@H]1CCC[C@@H]([NH3+])C1)c1cc(Cl)sc1Cl ZINC000423455122 337720339 /nfs/dbraw/zinc/72/03/39/337720339.db2.gz DRUPYDFLJCARDD-LPEHRKFASA-N 1 3 307.290 4.223 20 0 DIADHO CCc1ccc([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)s1 ZINC000423497399 337722988 /nfs/dbraw/zinc/72/29/88/337722988.db2.gz GWDJCQSKBVRNOI-RHSMWYFYSA-N 1 3 302.487 4.441 20 0 DIADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1nccc2ccccc21 ZINC000423500999 337723423 /nfs/dbraw/zinc/72/34/23/337723423.db2.gz CKXPVSYLAIBIBH-OXQOHEQNSA-N 1 3 319.452 4.366 20 0 DIADHO CC[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1cc(F)ccc1F ZINC000423511457 337723976 /nfs/dbraw/zinc/72/39/76/337723976.db2.gz SYQRKWWLPPOUDR-RTBURBONSA-N 1 3 318.411 4.486 20 0 DIADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000423543134 337725195 /nfs/dbraw/zinc/72/51/95/337725195.db2.gz NAGYIYFMUREHCM-ZJQBRPOHSA-N 1 3 313.272 4.032 20 0 DIADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000423543133 337725214 /nfs/dbraw/zinc/72/52/14/337725214.db2.gz NAGYIYFMUREHCM-KZVDOYCCSA-N 1 3 313.272 4.032 20 0 DIADHO C[C@H](c1ccc(C(C)(C)C)cc1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000428994319 338068155 /nfs/dbraw/zinc/06/81/55/338068155.db2.gz BJQXRVDHKWXREZ-OXQOHEQNSA-N 1 3 300.490 4.073 20 0 DIADHO C[C@H](c1ccc(C(C)(C)C)cc1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000428994319 338068156 /nfs/dbraw/zinc/06/81/56/338068156.db2.gz BJQXRVDHKWXREZ-OXQOHEQNSA-N 1 3 300.490 4.073 20 0 DIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@@H]3CCC(F)(F)C3)CC2)C1 ZINC000430750211 338113542 /nfs/dbraw/zinc/11/35/42/338113542.db2.gz MXZHSPMMBOAETE-BFYDXBDKSA-N 1 3 314.464 4.055 20 0 DIADHO CCC[N@H+](C)C[C@H]1CCN([C@H](C)CCSc2ccccc2)C1 ZINC000431609976 338134775 /nfs/dbraw/zinc/13/47/75/338134775.db2.gz PGJUNPAIDJMSQL-QZTJIDSGSA-N 1 3 320.546 4.221 20 0 DIADHO CCC[N@@H+](C)C[C@H]1CCN([C@H](C)CCSc2ccccc2)C1 ZINC000431609976 338134776 /nfs/dbraw/zinc/13/47/76/338134776.db2.gz PGJUNPAIDJMSQL-QZTJIDSGSA-N 1 3 320.546 4.221 20 0 DIADHO CCCN(C)C[C@H]1CC[N@@H+]([C@H](C)CCSc2ccccc2)C1 ZINC000431609976 338134777 /nfs/dbraw/zinc/13/47/77/338134777.db2.gz PGJUNPAIDJMSQL-QZTJIDSGSA-N 1 3 320.546 4.221 20 0 DIADHO CCCN(C)C[C@H]1CC[N@H+]([C@H](C)CCSc2ccccc2)C1 ZINC000431609976 338134778 /nfs/dbraw/zinc/13/47/78/338134778.db2.gz PGJUNPAIDJMSQL-QZTJIDSGSA-N 1 3 320.546 4.221 20 0 DIADHO CCC[N@H+](C)C[C@@H]1CCN([C@H](C)CCSc2ccccc2)C1 ZINC000431609975 338134818 /nfs/dbraw/zinc/13/48/18/338134818.db2.gz PGJUNPAIDJMSQL-MSOLQXFVSA-N 1 3 320.546 4.221 20 0 DIADHO CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)CCSc2ccccc2)C1 ZINC000431609975 338134819 /nfs/dbraw/zinc/13/48/19/338134819.db2.gz PGJUNPAIDJMSQL-MSOLQXFVSA-N 1 3 320.546 4.221 20 0 DIADHO CCCN(C)C[C@@H]1CC[N@@H+]([C@H](C)CCSc2ccccc2)C1 ZINC000431609975 338134820 /nfs/dbraw/zinc/13/48/20/338134820.db2.gz PGJUNPAIDJMSQL-MSOLQXFVSA-N 1 3 320.546 4.221 20 0 DIADHO CCCN(C)C[C@@H]1CC[N@H+]([C@H](C)CCSc2ccccc2)C1 ZINC000431609975 338134821 /nfs/dbraw/zinc/13/48/21/338134821.db2.gz PGJUNPAIDJMSQL-MSOLQXFVSA-N 1 3 320.546 4.221 20 0 DIADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccc(Cl)cc1F ZINC000438086485 338330663 /nfs/dbraw/zinc/33/06/63/338330663.db2.gz HTJIUTKQBQAQJS-CQSZACIVSA-N 1 3 312.860 4.223 20 0 DIADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccc(Cl)cc1F ZINC000438086485 338330664 /nfs/dbraw/zinc/33/06/64/338330664.db2.gz HTJIUTKQBQAQJS-CQSZACIVSA-N 1 3 312.860 4.223 20 0 DIADHO CCN(CC)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000438112805 338332595 /nfs/dbraw/zinc/33/25/95/338332595.db2.gz IGMZTACHNBWPAG-CEWLAPEOSA-N 1 3 314.517 4.161 20 0 DIADHO CCN(CC)C[C@@H]1CC[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000438112805 338332596 /nfs/dbraw/zinc/33/25/96/338332596.db2.gz IGMZTACHNBWPAG-CEWLAPEOSA-N 1 3 314.517 4.161 20 0 DIADHO C[C@H]1C[C@H](c2ccccc2)CCN1CCC[NH+]1CCCCC1 ZINC000439311636 338366785 /nfs/dbraw/zinc/36/67/85/338366785.db2.gz CDBGFMFYWIEMSF-AZUAARDMSA-N 1 3 300.490 4.131 20 0 DIADHO CN1CCC[C@@H]1CC[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439331574 338367549 /nfs/dbraw/zinc/36/75/49/338367549.db2.gz RXNCRDWASAQVED-QGZVFWFLSA-N 1 3 324.871 4.085 20 0 DIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCC3CC(F)(F)C3)CC2)C1 ZINC000453399015 338838278 /nfs/dbraw/zinc/83/82/78/338838278.db2.gz AHHOZPMHWNKELY-RHSMWYFYSA-N 1 3 314.464 4.055 20 0 DIADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C(C)(C)c1ccccc1 ZINC000459408090 339027510 /nfs/dbraw/zinc/02/75/10/339027510.db2.gz QFRIYLIUMLCBSQ-KRWDZBQOSA-N 1 3 323.484 4.006 20 0 DIADHO C[C@H]([NH2+]CC1CCC(F)(F)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000459411174 339027661 /nfs/dbraw/zinc/02/76/61/339027661.db2.gz UATHUNZHCGGUMY-GOEBONIOSA-N 1 3 314.464 4.055 20 0 DIADHO C[C@H]([NH2+]CC1CCC(F)(F)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000459411176 339027773 /nfs/dbraw/zinc/02/77/73/339027773.db2.gz UATHUNZHCGGUMY-HOCLYGCPSA-N 1 3 314.464 4.055 20 0 DIADHO C[C@@H]([NH2+]CCc1cccc(Cl)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000459454136 339030219 /nfs/dbraw/zinc/03/02/19/339030219.db2.gz BOPMMIMBTHGXDA-WBVHZDCISA-N 1 3 320.908 4.125 20 0 DIADHO Fc1ccc([C@@H](NC2CC[NH+](C3CC3)CC2)C2CC2)cc1Cl ZINC000459586631 339037270 /nfs/dbraw/zinc/03/72/70/339037270.db2.gz VOIBXCDUTHELPI-SFHVURJKSA-N 1 3 322.855 4.147 20 0 DIADHO Cc1cccc2c1ncc(C)c2N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000462507897 339080372 /nfs/dbraw/zinc/08/03/72/339080372.db2.gz GRFSUPWMTFTGNW-GOSISDBHSA-N 1 3 323.484 4.306 20 0 DIADHO CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C1 ZINC000462780841 339088255 /nfs/dbraw/zinc/08/82/55/339088255.db2.gz ZOCGEDZRURRZMM-NRSPTQNISA-N 1 3 314.517 4.109 20 0 DIADHO CC(C)(C)[NH+]1CCC(N[C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000464068238 339132979 /nfs/dbraw/zinc/13/29/79/339132979.db2.gz QYWSOJLLSUZOEI-MOPGFXCFSA-N 1 3 314.517 4.421 20 0 DIADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(-c2ccccc2Cl)s1 ZINC000469867347 339303134 /nfs/dbraw/zinc/30/31/34/339303134.db2.gz VIYFXMVVXFPBES-CHWSQXEVSA-N 1 3 320.889 4.238 20 0 DIADHO Cc1ccc2[nH]c(CNCc3cccc(C[NH+](C)C)c3)cc2c1C ZINC000472043424 339360326 /nfs/dbraw/zinc/36/03/26/339360326.db2.gz QAKXWHPFDWAUTI-UHFFFAOYSA-N 1 3 321.468 4.136 20 0 DIADHO CCCCN1CCC([NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000472058570 339361384 /nfs/dbraw/zinc/36/13/84/339361384.db2.gz QNALKUDZVMQUDF-UHFFFAOYSA-N 1 3 313.489 4.139 20 0 DIADHO CCCCN1CCC([NH2+]Cc2cccc(SCC)c2)CC1 ZINC000472057791 339361395 /nfs/dbraw/zinc/36/13/95/339361395.db2.gz LVRJILSLZLWJOU-UHFFFAOYSA-N 1 3 306.519 4.153 20 0 DIADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCc3ccc(Cl)cc32)c1 ZINC000479285345 339530460 /nfs/dbraw/zinc/53/04/60/339530460.db2.gz QAUHJWLBHWGDGO-LJQANCHMSA-N 1 3 314.860 4.179 20 0 DIADHO C[C@H]([NH2+]C1CCCCCC1)c1ccc(OCCN(C)C)cc1 ZINC000479847171 339550202 /nfs/dbraw/zinc/55/02/02/339550202.db2.gz BGHUOARJLVUYQV-INIZCTEOSA-N 1 3 304.478 4.000 20 0 DIADHO C[C@@H](CCCC(F)(F)F)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000480211074 339563610 /nfs/dbraw/zinc/56/36/10/339563610.db2.gz BJROTCBAHPJJFZ-AWEZNQCLSA-N 1 3 320.443 4.352 20 0 DIADHO CC[C@@H](c1ccccc1)[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501024432 340072567 /nfs/dbraw/zinc/07/25/67/340072567.db2.gz BOSWXPZEHSXCPV-NRFANRHFSA-N 1 3 323.484 4.381 20 0 DIADHO CC[C@@H](c1ccccc1)[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501024432 340072568 /nfs/dbraw/zinc/07/25/68/340072568.db2.gz BOSWXPZEHSXCPV-NRFANRHFSA-N 1 3 323.484 4.381 20 0 DIADHO CCC[NH+](CCC)CCCN[C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000501483997 340082040 /nfs/dbraw/zinc/08/20/40/340082040.db2.gz WEVQOEGGJLXWMW-AZUAARDMSA-N 1 3 317.521 4.210 20 0 DIADHO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)oc1C ZINC000502458287 340104462 /nfs/dbraw/zinc/10/44/62/340104462.db2.gz CLXYJJRXZCEOBP-APWZRJJASA-N 1 3 312.457 4.069 20 0 DIADHO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CC[C@@H]1CCCN1C ZINC000502691100 340110777 /nfs/dbraw/zinc/11/07/77/340110777.db2.gz GHJLAHBZFWINEM-CJNGLKHVSA-N 1 3 314.395 4.183 20 0 DIADHO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CC[C@@H]1CCCN1C ZINC000502691100 340110778 /nfs/dbraw/zinc/11/07/78/340110778.db2.gz GHJLAHBZFWINEM-CJNGLKHVSA-N 1 3 314.395 4.183 20 0 DIADHO CCc1ccc([C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C(C)C)cc1 ZINC000506127768 340186310 /nfs/dbraw/zinc/18/63/10/340186310.db2.gz TYVNRGSLTHIOIL-HSALFYBXSA-N 1 3 300.490 4.163 20 0 DIADHO CCc1ccc([C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C(C)C)cc1 ZINC000506127768 340186311 /nfs/dbraw/zinc/18/63/11/340186311.db2.gz TYVNRGSLTHIOIL-HSALFYBXSA-N 1 3 300.490 4.163 20 0 DIADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000507418436 340218775 /nfs/dbraw/zinc/21/87/75/340218775.db2.gz FHGORHWJENJCMV-CYBMUJFWSA-N 1 3 320.864 4.469 20 0 DIADHO CCc1cccnc1[C@H](C)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000507485113 340222131 /nfs/dbraw/zinc/22/21/31/340222131.db2.gz KTMCVRVDJRUNTM-KSZLIROESA-N 1 3 317.521 4.053 20 0 DIADHO CCc1cccnc1[C@H](C)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000507485113 340222132 /nfs/dbraw/zinc/22/21/32/340222132.db2.gz KTMCVRVDJRUNTM-KSZLIROESA-N 1 3 317.521 4.053 20 0 DIADHO CSc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC000516609708 340240979 /nfs/dbraw/zinc/24/09/79/340240979.db2.gz ZPQRCYUYKTXAIJ-UHFFFAOYSA-N 1 3 312.548 4.022 20 0 DIADHO CSc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC000516609708 340240980 /nfs/dbraw/zinc/24/09/80/340240980.db2.gz ZPQRCYUYKTXAIJ-UHFFFAOYSA-N 1 3 312.548 4.022 20 0 DIADHO CCCCOc1ccc(C[N@H+](C)C2CCN(CCC)CC2)cc1 ZINC000510421427 340298896 /nfs/dbraw/zinc/29/88/96/340298896.db2.gz LCDALCWDFKKEKA-UHFFFAOYSA-N 1 3 318.505 4.172 20 0 DIADHO CCCCOc1ccc(C[N@@H+](C)C2CCN(CCC)CC2)cc1 ZINC000510421427 340298897 /nfs/dbraw/zinc/29/88/97/340298897.db2.gz LCDALCWDFKKEKA-UHFFFAOYSA-N 1 3 318.505 4.172 20 0 DIADHO c1ccc(CCCN2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000303176326 340309645 /nfs/dbraw/zinc/30/96/45/340309645.db2.gz JOUKAMZGVNNMGP-NRFANRHFSA-N 1 3 314.517 4.207 20 0 DIADHO c1ccc(CCCN2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000303176328 340309650 /nfs/dbraw/zinc/30/96/50/340309650.db2.gz JOUKAMZGVNNMGP-OAQYLSRUSA-N 1 3 314.517 4.207 20 0 DIADHO COCC[C@H]([NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1)C(C)(C)C ZINC000510996774 340317586 /nfs/dbraw/zinc/31/75/86/340317586.db2.gz UNWDVDVOMZUDSV-WDSOQIARSA-N 1 3 324.553 4.070 20 0 DIADHO CN1CCC[C@@H]1CC[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511092581 340320467 /nfs/dbraw/zinc/32/04/67/340320467.db2.gz OTNWOTJXSPQRNF-VQIMIIECSA-N 1 3 322.443 4.033 20 0 DIADHO C[NH+](C)CCC1CCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC000511508431 340329135 /nfs/dbraw/zinc/32/91/35/340329135.db2.gz XJPNXUAFRWZWCO-ARJAWSKDSA-N 1 3 306.881 4.017 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)[C@H]1CCCN(C2CCC2)C1 ZINC000512334073 340357618 /nfs/dbraw/zinc/35/76/18/340357618.db2.gz ZIGZWMDTWRRKES-AUSJPIAWSA-N 1 3 316.464 4.056 20 0 DIADHO CC[N@@H+]1CCC[C@@H](CNC/C(C)=C\c2ccc(Cl)cc2)C1 ZINC000512984625 340386917 /nfs/dbraw/zinc/38/69/17/340386917.db2.gz IEIABIKDCMNUCE-HKBKRHGFSA-N 1 3 306.881 4.065 20 0 DIADHO CC[N@H+]1CCC[C@@H](CNC/C(C)=C\c2ccc(Cl)cc2)C1 ZINC000512984625 340386918 /nfs/dbraw/zinc/38/69/18/340386918.db2.gz IEIABIKDCMNUCE-HKBKRHGFSA-N 1 3 306.881 4.065 20 0 DIADHO CCN1CCC[C@@H](C[NH2+]C/C(C)=C\c2ccc(Cl)cc2)C1 ZINC000512984625 340386919 /nfs/dbraw/zinc/38/69/19/340386919.db2.gz IEIABIKDCMNUCE-HKBKRHGFSA-N 1 3 306.881 4.065 20 0 DIADHO CN(C)[C@H]1CCC[N@H+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000513246631 340399152 /nfs/dbraw/zinc/39/91/52/340399152.db2.gz ACNOPTLWEYROSN-NRFANRHFSA-N 1 3 322.496 4.235 20 0 DIADHO CN(C)[C@H]1CCC[N@@H+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000513246631 340399153 /nfs/dbraw/zinc/39/91/53/340399153.db2.gz ACNOPTLWEYROSN-NRFANRHFSA-N 1 3 322.496 4.235 20 0 DIADHO C[C@@H](N[C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cccs1 ZINC000178173426 340447494 /nfs/dbraw/zinc/44/74/94/340447494.db2.gz LRAOPATUJWUIEF-HUUCEWRRSA-N 1 3 318.486 4.100 20 0 DIADHO C[C@H]([NH2+]CC1CCN(Cc2cccs2)CC1)c1ccsc1 ZINC000178222283 340447836 /nfs/dbraw/zinc/44/78/36/340447836.db2.gz VXWSEJAPZUUDLS-AWEZNQCLSA-N 1 3 320.527 4.372 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)N[C@@H](C)c1csc(C(C)C)n1 ZINC000186193380 340509256 /nfs/dbraw/zinc/50/92/56/340509256.db2.gz JZKVCLANCHDXOR-GJZGRUSLSA-N 1 3 311.539 4.428 20 0 DIADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(F)c(Cl)c1 ZINC000123666438 340793313 /nfs/dbraw/zinc/79/33/13/340793313.db2.gz ARLJQRTWGJUNOH-ZDUSSCGKSA-N 1 3 320.839 4.392 20 0 DIADHO C[C@H](NCCC1CC[NH+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000539495287 340887440 /nfs/dbraw/zinc/88/74/40/340887440.db2.gz KSYQPLIEXQCZCX-ZDUSSCGKSA-N 1 3 320.864 4.469 20 0 DIADHO CC[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(Cl)s1 ZINC000542557138 341013267 /nfs/dbraw/zinc/01/32/67/341013267.db2.gz ZZUBMQVRCUKTES-QWHCGFSZSA-N 1 3 300.899 4.317 20 0 DIADHO CC(C)[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(Cl)cc1F ZINC000542843902 341023220 /nfs/dbraw/zinc/02/32/20/341023220.db2.gz KCWVCHXDBCELLS-UGSOOPFHSA-N 1 3 324.871 4.250 20 0 DIADHO CC[NH+](CC)CCCC1CCN(Cc2sccc2OC)CC1 ZINC000543102084 341032006 /nfs/dbraw/zinc/03/20/06/341032006.db2.gz YBYFNFSAQQBMLF-UHFFFAOYSA-N 1 3 324.534 4.091 20 0 DIADHO Cc1ccc2ccccc2c1C[NH+]1CCC2(CCCN2C)CC1 ZINC000543188189 341036016 /nfs/dbraw/zinc/03/60/16/341036016.db2.gz UPTMSDLAHSWKJC-UHFFFAOYSA-N 1 3 308.469 4.208 20 0 DIADHO Cc1cccc(-c2ccc(CN[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2)c1 ZINC000544825684 341094907 /nfs/dbraw/zinc/09/49/07/341094907.db2.gz OPAWGDFPHJYASX-DYESRHJHSA-N 1 3 308.469 4.092 20 0 DIADHO Cc1cccc(-c2ccc(CN[C@@H]3CC[N@H+](C)C[C@H]3C)cc2)c1 ZINC000544825684 341094908 /nfs/dbraw/zinc/09/49/08/341094908.db2.gz OPAWGDFPHJYASX-DYESRHJHSA-N 1 3 308.469 4.092 20 0 DIADHO C[C@@H]1C[C@H]1c1ccc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000237463904 341214456 /nfs/dbraw/zinc/21/44/56/341214456.db2.gz MRVHGOXZMIPISM-JFIYKMOQSA-N 1 3 304.478 4.005 20 0 DIADHO C[C@@H]1C[C@H]1c1ccc(CNCCCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC000237463904 341214457 /nfs/dbraw/zinc/21/44/57/341214457.db2.gz MRVHGOXZMIPISM-JFIYKMOQSA-N 1 3 304.478 4.005 20 0 DIADHO CC[N@H+](C)Cc1cccc(CNCc2cc(C)cc(Cl)c2)c1 ZINC000550123167 341310596 /nfs/dbraw/zinc/31/05/96/341310596.db2.gz PPDKCXAXPADOFX-UHFFFAOYSA-N 1 3 316.876 4.390 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CNCc2cc(C)cc(Cl)c2)c1 ZINC000550123167 341310597 /nfs/dbraw/zinc/31/05/97/341310597.db2.gz PPDKCXAXPADOFX-UHFFFAOYSA-N 1 3 316.876 4.390 20 0 DIADHO C[C@H](F)CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000550881967 341325345 /nfs/dbraw/zinc/32/53/45/341325345.db2.gz FIFRVERLMQAJJA-IJXRJRJASA-N 1 3 318.480 4.015 20 0 DIADHO C[C@H](NCCCCC[NH+]1CCCC1)c1cc2ccccc2o1 ZINC000550883769 341325414 /nfs/dbraw/zinc/32/54/14/341325414.db2.gz ZTHUESAKDMATOO-INIZCTEOSA-N 1 3 300.446 4.350 20 0 DIADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc(C2CC2)c1 ZINC000550997278 341328682 /nfs/dbraw/zinc/32/86/82/341328682.db2.gz JVQROKVMVZLHIM-INIZCTEOSA-N 1 3 308.469 4.476 20 0 DIADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249257186 341395605 /nfs/dbraw/zinc/39/56/05/341395605.db2.gz GRVGSBULLYFPTH-BZUAXINKSA-N 1 3 320.443 4.065 20 0 DIADHO CSc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000249434340 341397568 /nfs/dbraw/zinc/39/75/68/341397568.db2.gz FAZCYIVPVDRPSC-HZPDHXFCSA-N 1 3 306.519 4.180 20 0 DIADHO CC(C)(C)[C@H](NCc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000566351912 341554912 /nfs/dbraw/zinc/55/49/12/341554912.db2.gz KNJVXOLAZVRWFW-HXUWFJFHSA-N 1 3 308.469 4.209 20 0 DIADHO CCC[C@H](NCCCC[NH+]1CCC(C)CC1)c1ccccn1 ZINC000158654701 341661351 /nfs/dbraw/zinc/66/13/51/341661351.db2.gz AYYRXRAXPLCFEQ-SFHVURJKSA-N 1 3 303.494 4.025 20 0 DIADHO Cc1ccc2c(c1)[C@@H](NCc1ccc(C[NH+](C)C)cc1)CCC2 ZINC000166015987 341715587 /nfs/dbraw/zinc/71/55/87/341715587.db2.gz YKIXQTWKIHHCKP-NRFANRHFSA-N 1 3 308.469 4.224 20 0 DIADHO CCc1c2ccccc2oc1[C@H](C)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423396798 517840900 /nfs/dbraw/zinc/84/09/00/517840900.db2.gz SOYRUXAMRNHORM-AWEZNQCLSA-N 1 3 320.436 4.449 20 0 DIADHO COc1ccc([C@@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000162934917 525154122 /nfs/dbraw/zinc/15/41/22/525154122.db2.gz KFPYWVBMAIIPPP-QGZVFWFLSA-N 1 3 324.468 4.142 20 0 DIADHO Cc1sccc1C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000339213427 526913227 /nfs/dbraw/zinc/91/32/27/526913227.db2.gz GRDPCWROPHDWOT-UHFFFAOYSA-N 1 3 320.527 4.120 20 0 DIADHO C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1(c2ccccc2)CCCC1 ZINC000643548641 1035605777 /nfs/dbraw/zinc/60/57/77/1035605777.db2.gz SOPZSACARBJPIY-MJGOQNOKSA-N 1 3 312.501 4.151 20 0 DIADHO Cc1ccc(F)cc1CNCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000180141043 1036043305 /nfs/dbraw/zinc/04/33/05/1036043305.db2.gz OYFRUTOZAWHRFO-UHFFFAOYSA-N 1 3 314.448 4.264 20 0 DIADHO Cc1ccc(F)cc1CNCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000180141043 1036043324 /nfs/dbraw/zinc/04/33/24/1036043324.db2.gz OYFRUTOZAWHRFO-UHFFFAOYSA-N 1 3 314.448 4.264 20 0 DIADHO c1ccc(C2CC([NH2+]C3CCN(C4CCCCC4)CC3)C2)cc1 ZINC000118950447 1036226706 /nfs/dbraw/zinc/22/67/06/1036226706.db2.gz TWZFBQHGDCXORB-UHFFFAOYSA-N 1 3 312.501 4.319 20 0 DIADHO c1ccc(C2CC(NC3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000118950447 1036226725 /nfs/dbraw/zinc/22/67/25/1036226725.db2.gz TWZFBQHGDCXORB-UHFFFAOYSA-N 1 3 312.501 4.319 20 0 DIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccsc1 ZINC000398123903 1036242099 /nfs/dbraw/zinc/24/20/99/1036242099.db2.gz HSWQHDDKVNMQRG-TXPKVOOTSA-N 1 3 314.498 4.309 20 0 DIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccsc1 ZINC000398123903 1036242114 /nfs/dbraw/zinc/24/21/14/1036242114.db2.gz HSWQHDDKVNMQRG-TXPKVOOTSA-N 1 3 314.498 4.309 20 0 DIADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2ccccc2)s1 ZINC000580006015 1036712328 /nfs/dbraw/zinc/71/23/28/1036712328.db2.gz HXQFVGXQEQUNBX-YJBOKZPZSA-N 1 3 314.498 4.187 20 0 DIADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2ccccc2)s1 ZINC000580006015 1036712339 /nfs/dbraw/zinc/71/23/39/1036712339.db2.gz HXQFVGXQEQUNBX-YJBOKZPZSA-N 1 3 314.498 4.187 20 0 DIADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCCC(F)(F)C2)CC1 ZINC000537956300 1036840697 /nfs/dbraw/zinc/84/06/97/1036840697.db2.gz KYNSLZZYCFDLOK-DJIMGWMZSA-N 1 3 314.464 4.197 20 0 DIADHO C/C(=C/c1ccccc1)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000255539101 1037148354 /nfs/dbraw/zinc/14/83/54/1037148354.db2.gz ORGHDKXWYYXBHH-SFQCBASQSA-N 1 3 310.485 4.039 20 0 DIADHO C/C(=C/c1ccccc1)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000255539101 1037148358 /nfs/dbraw/zinc/14/83/58/1037148358.db2.gz ORGHDKXWYYXBHH-SFQCBASQSA-N 1 3 310.485 4.039 20 0 DIADHO CCOc1ccccc1[C@@H](CC)[NH2+]CC[C@@H]1CCCCN1C ZINC000341662859 1038210170 /nfs/dbraw/zinc/21/01/70/1038210170.db2.gz VYJLFAPHTYFCLL-FUHWJXTLSA-N 1 3 304.478 4.000 20 0 DIADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(Cl)c(F)c1 ZINC000535777827 1038334215 /nfs/dbraw/zinc/33/42/15/1038334215.db2.gz OWCUNUMZIDZURS-ZDUSSCGKSA-N 1 3 320.839 4.392 20 0 DIADHO C[C@H](CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)c1ccccc1 ZINC000604885061 1038463220 /nfs/dbraw/zinc/46/32/20/1038463220.db2.gz FFWWUABVLJJYNP-AABGKKOBSA-N 1 3 314.517 4.377 20 0 DIADHO C[C@H](CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)c1ccccc1 ZINC000604885061 1038463223 /nfs/dbraw/zinc/46/32/23/1038463223.db2.gz FFWWUABVLJJYNP-AABGKKOBSA-N 1 3 314.517 4.377 20 0 DIADHO Cc1cc(C)nc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000707898411 1038498617 /nfs/dbraw/zinc/49/86/17/1038498617.db2.gz IPYHFWIPVATOLC-SLFFLAALSA-N 1 3 321.468 4.021 20 0 DIADHO Cc1cc(C)nc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000707898411 1038498621 /nfs/dbraw/zinc/49/86/21/1038498621.db2.gz IPYHFWIPVATOLC-SLFFLAALSA-N 1 3 321.468 4.021 20 0 DIADHO C[C@@H](Cc1cccs1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000684773101 1038596353 /nfs/dbraw/zinc/59/63/53/1038596353.db2.gz CDMOWBWMBIWLAA-RDJZCZTQSA-N 1 3 306.519 4.066 20 0 DIADHO C[C@@H](Cc1cccs1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000684773101 1038596360 /nfs/dbraw/zinc/59/63/60/1038596360.db2.gz CDMOWBWMBIWLAA-RDJZCZTQSA-N 1 3 306.519 4.066 20 0 DIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3CCC(F)(F)CC3)CC2)C1 ZINC000540155014 1039434056 /nfs/dbraw/zinc/43/40/56/1039434056.db2.gz DWKYYTDHAQXBPR-RHSMWYFYSA-N 1 3 314.464 4.197 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(Cl)c(F)c1 ZINC000650757276 1039466229 /nfs/dbraw/zinc/46/62/29/1039466229.db2.gz SWLFFGCQXSHRJR-GFCCVEGCSA-N 1 3 306.812 4.049 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000650758236 1039468393 /nfs/dbraw/zinc/46/83/93/1039468393.db2.gz LOIKRYDQZSMPQD-CYBMUJFWSA-N 1 3 322.374 4.276 20 0 DIADHO Cc1cc([C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C2CC2)ccc1F ZINC000540299881 1039470533 /nfs/dbraw/zinc/47/05/33/1039470533.db2.gz UIRGMTMCAUOJOE-UZLBHIALSA-N 1 3 318.480 4.295 20 0 DIADHO c1cc2n(c1C[NH+](C1CCCCC1)C1CCCCC1)CCNC2 ZINC001204611119 1039494110 /nfs/dbraw/zinc/49/41/10/1039494110.db2.gz ALSVTYVBCXECTD-UHFFFAOYSA-N 1 3 315.505 4.059 20 0 DIADHO Cc1ccccc1CCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000541601905 1039715902 /nfs/dbraw/zinc/71/59/02/1039715902.db2.gz VWESNWHALOUMTI-UYAOXDASSA-N 1 3 314.517 4.170 20 0 DIADHO CCc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1 ZINC000541601811 1039716105 /nfs/dbraw/zinc/71/61/05/1039716105.db2.gz QJGCKEKIXSSDAV-FXAWDEMLSA-N 1 3 314.517 4.034 20 0 DIADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)C(c1ccccc1)c1ccccc1 ZINC000541628174 1039719835 /nfs/dbraw/zinc/71/98/35/1039719835.db2.gz DYZJQNOXCTULMZ-WIYYLYMNSA-N 1 3 322.496 4.281 20 0 DIADHO CCC[N@@H+]1CC[C@H](CN[C@H]2CCCc3c(Cl)cccc32)C1 ZINC000541736434 1039734533 /nfs/dbraw/zinc/73/45/33/1039734533.db2.gz JLQDPDHQLKTWBV-KDOFPFPSSA-N 1 3 306.881 4.039 20 0 DIADHO CCC[N@H+]1CC[C@H](CN[C@H]2CCCc3c(Cl)cccc32)C1 ZINC000541736434 1039734546 /nfs/dbraw/zinc/73/45/46/1039734546.db2.gz JLQDPDHQLKTWBV-KDOFPFPSSA-N 1 3 306.881 4.039 20 0 DIADHO CCC(CC)[C@H](CC[NH2+]C1CCN(C2CCCCC2)CC1)OC ZINC000541908928 1039757372 /nfs/dbraw/zinc/75/73/72/1039757372.db2.gz SEHMCYYNCAHJFG-FQEVSTJZSA-N 1 3 324.553 4.214 20 0 DIADHO CCCC[NH+]1CCC(N[C@@H](C)c2cc3ccncc3s2)CC1 ZINC000657857943 1039761302 /nfs/dbraw/zinc/76/13/02/1039761302.db2.gz GUWPJAZKKCJAIC-AWEZNQCLSA-N 1 3 317.502 4.211 20 0 DIADHO C(=C\[C@H]1CCCCC[N@H+]1CCCN1CCCC1)\c1cccs1 ZINC000542134550 1039800017 /nfs/dbraw/zinc/80/00/17/1039800017.db2.gz RSYYTUJEYVTNSI-RXQFDZFGSA-N 1 3 318.530 4.492 20 0 DIADHO C(=C\[C@H]1CCCCC[N@@H+]1CCCN1CCCC1)\c1cccs1 ZINC000542134550 1039800035 /nfs/dbraw/zinc/80/00/35/1039800035.db2.gz RSYYTUJEYVTNSI-RXQFDZFGSA-N 1 3 318.530 4.492 20 0 DIADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc(Cl)c1 ZINC000171126421 1039941973 /nfs/dbraw/zinc/94/19/73/1039941973.db2.gz PNOBKOWHIJCLDP-CQSZACIVSA-N 1 3 302.849 4.252 20 0 DIADHO Cc1sccc1C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309737210 1040090776 /nfs/dbraw/zinc/09/07/76/1040090776.db2.gz USNRVRDYMITYPE-DNVCBOLYSA-N 1 3 314.498 4.057 20 0 DIADHO C[C@H](CC1CC1)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000309967470 1040102478 /nfs/dbraw/zinc/10/24/78/1040102478.db2.gz LTDOGYFNQAYQBY-YLJYHZDGSA-N 1 3 300.490 4.067 20 0 DIADHO C[C@@H](NCC1(C[NH+](C)C)CCCC1)c1cc2ccncc2s1 ZINC000657974066 1040236983 /nfs/dbraw/zinc/23/69/83/1040236983.db2.gz LNHWZFXQHOFDRR-CQSZACIVSA-N 1 3 317.502 4.069 20 0 DIADHO C[C@@H]1C[C@@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CS1 ZINC000414226642 1041026602 /nfs/dbraw/zinc/02/66/02/1041026602.db2.gz KDRVLRADTPMHID-GDBMZVCRSA-N 1 3 312.567 4.149 20 0 DIADHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C(F)F)cc1 ZINC000809737970 1041240871 /nfs/dbraw/zinc/24/08/71/1041240871.db2.gz NXFBOXSCWMPQMQ-UHFFFAOYSA-N 1 3 318.411 4.318 20 0 DIADHO CCc1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000809738118 1041240946 /nfs/dbraw/zinc/24/09/46/1041240946.db2.gz PUHWSQJYNCRHQF-UHFFFAOYSA-N 1 3 302.487 4.004 20 0 DIADHO CCCCCC[C@@H](CC)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001170590424 1041284949 /nfs/dbraw/zinc/28/49/49/1041284949.db2.gz JZDRUIJZUBSWSL-LJQANCHMSA-N 1 3 324.553 4.216 20 0 DIADHO Cc1cc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)ccc1F ZINC000924594351 1041356261 /nfs/dbraw/zinc/35/62/61/1041356261.db2.gz OHSWULRGXNIWQG-OAHLLOKOSA-N 1 3 300.421 4.047 20 0 DIADHO COc1ccc([C@@H](C)[NH2+]CC[C@@H](C)F)cc1CN1CCCCC1 ZINC000815645665 1041984546 /nfs/dbraw/zinc/98/45/46/1041984546.db2.gz MMYUAYDUOOPMIX-HZPDHXFCSA-N 1 3 322.468 4.080 20 0 DIADHO CC[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc(Cl)c1F ZINC000161561060 1042111110 /nfs/dbraw/zinc/11/11/10/1042111110.db2.gz ONIQZCYTWKHSDR-MLGOLLRUSA-N 1 3 310.844 4.004 20 0 DIADHO C[C@@H]1CCCN(Cc2csc(C3CCCC3)n2)[C@@H]1CCC[NH3+] ZINC000662314024 1042114397 /nfs/dbraw/zinc/11/43/97/1042114397.db2.gz BJVUNJSPERTQDJ-RHSMWYFYSA-N 1 3 321.534 4.140 20 0 DIADHO Cc1ccc2cc([C@H](C)NCc3ccc(CC[NH3+])cc3)oc2c1 ZINC000817948833 1042130589 /nfs/dbraw/zinc/13/05/89/1042130589.db2.gz LVOGDSNKTCQLFZ-HNNXBMFYSA-N 1 3 308.425 4.093 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000316616740 1042244315 /nfs/dbraw/zinc/24/43/15/1042244315.db2.gz KTYCIXRFAZHHMT-QHGAOEGBSA-N 1 3 300.490 4.033 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)N1CCc2c(Cl)cccc2C1 ZINC001167839392 1042249578 /nfs/dbraw/zinc/24/95/78/1042249578.db2.gz XPOQPKKOFBULFX-HNNXBMFYSA-N 1 3 308.897 4.209 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000513345264 1042535662 /nfs/dbraw/zinc/53/56/62/1042535662.db2.gz ILDFDXLDZKGUSH-HIFRSBDPSA-N 1 3 320.443 4.208 20 0 DIADHO [NH3+][C@H]1C[C@@H](NCCCCCOC2CCCCC2)c2ccccc21 ZINC000422702404 1042687815 /nfs/dbraw/zinc/68/78/15/1042687815.db2.gz FBYHEMUPVLREJE-VQTJNVASSA-N 1 3 316.489 4.240 20 0 DIADHO CCC[C@H]([NH2+][C@H](C)c1ccc(CN)nc1C)C1CCCCC1 ZINC000422718139 1042689050 /nfs/dbraw/zinc/68/90/50/1042689050.db2.gz WTXNHKPFMVOXNO-BEFAXECRSA-N 1 3 303.494 4.248 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000422769364 1042689907 /nfs/dbraw/zinc/68/99/07/1042689907.db2.gz OTHPVQLNDBTCIP-CABCVRRESA-N 1 3 323.484 4.139 20 0 DIADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Sc1ccccc1 ZINC000422781583 1042690223 /nfs/dbraw/zinc/69/02/23/1042690223.db2.gz FJJSJFFKMHBPQI-NXWXRZEISA-N 1 3 318.530 4.068 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(CC(C)C)CCCC1 ZINC000422863460 1042691338 /nfs/dbraw/zinc/69/13/38/1042691338.db2.gz LMYVCWVWAVNPBM-HNNXBMFYSA-N 1 3 303.494 4.106 20 0 DIADHO CC[C@H](N[C@@H](C)c1ccc(C[NH3+])nc1C)c1cccc(Cl)c1 ZINC000422855485 1042691419 /nfs/dbraw/zinc/69/14/19/1042691419.db2.gz DXZNCHSNFFBCQY-UGSOOPFHSA-N 1 3 317.864 4.304 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000422905864 1042692448 /nfs/dbraw/zinc/69/24/48/1042692448.db2.gz ZPMCJMSZQSCQPZ-NDXORKPFSA-N 1 3 323.484 4.226 20 0 DIADHO C[C@H](N[C@@H](c1ccccc1)[C@H]1CCCc2ccccc21)C1C[NH2+]C1 ZINC000423006902 1042695538 /nfs/dbraw/zinc/69/55/38/1042695538.db2.gz WTLISZFTXJPSDI-SSKFGXFMSA-N 1 3 320.480 4.045 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000423082904 1042697248 /nfs/dbraw/zinc/69/72/48/1042697248.db2.gz FDJJMEYOBLXJJQ-IWMITWMQSA-N 1 3 323.484 4.384 20 0 DIADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423077781 1042697289 /nfs/dbraw/zinc/69/72/89/1042697289.db2.gz UNMGYLMQIYDWLK-BBWFWOEESA-N 1 3 312.457 4.042 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423280874 1042703475 /nfs/dbraw/zinc/70/34/75/1042703475.db2.gz TTZLXLLOXKOKSO-QSLWVIQJSA-N 1 3 312.910 4.001 20 0 DIADHO CC(C)Oc1ccc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423289823 1042704096 /nfs/dbraw/zinc/70/40/96/1042704096.db2.gz BQIXIDATELHMMU-HOTGVXAUSA-N 1 3 312.457 4.344 20 0 DIADHO Cc1ccc2c(c1)OCCC[C@H]2NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423290575 1042704560 /nfs/dbraw/zinc/70/45/60/1042704560.db2.gz DOMUWUZJECDDAR-HNAYVOBHSA-N 1 3 310.441 4.018 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(F)c(Cl)c2)cc1 ZINC000423293014 1042704999 /nfs/dbraw/zinc/70/49/99/1042704999.db2.gz PIULJCAXZDQLGD-NEPJUHHUSA-N 1 3 306.812 4.350 20 0 DIADHO N[C@H](C[NH2+][C@H](Cc1ccccc1Cl)c1cccs1)C1CC1 ZINC000423319732 1042705696 /nfs/dbraw/zinc/70/56/96/1042705696.db2.gz LXJSLOYTJFWEAF-HZPDHXFCSA-N 1 3 320.889 4.012 20 0 DIADHO C[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc(F)c2ccccc21 ZINC000423332291 1042707070 /nfs/dbraw/zinc/70/70/70/1042707070.db2.gz HFOYARVWRBENLJ-AUUYWEPGSA-N 1 3 300.421 4.019 20 0 DIADHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3c4ccccc4sc32)CC[NH2+]1 ZINC000423380302 1042709085 /nfs/dbraw/zinc/70/90/85/1042709085.db2.gz NSROUOHWOUFILX-DVOMOZLQSA-N 1 3 300.471 4.009 20 0 DIADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c4ccccc4sc32)CCN1 ZINC000423380302 1042709087 /nfs/dbraw/zinc/70/90/87/1042709087.db2.gz NSROUOHWOUFILX-DVOMOZLQSA-N 1 3 300.471 4.009 20 0 DIADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CCN1 ZINC000423369880 1042709609 /nfs/dbraw/zinc/70/96/09/1042709609.db2.gz CJQNSTPECNXDLC-AETAKHFUSA-N 1 3 306.881 4.096 20 0 DIADHO CC[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)s1 ZINC000423391124 1042709836 /nfs/dbraw/zinc/70/98/36/1042709836.db2.gz PIZRWGNMRYNRSU-AWEZNQCLSA-N 1 3 306.862 4.246 20 0 DIADHO C[C@H](CCC[NH3+])N[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000423461500 1042714373 /nfs/dbraw/zinc/71/43/73/1042714373.db2.gz SUYZFJBTVILKNZ-ACJLOTCBSA-N 1 3 320.839 4.286 20 0 DIADHO CC[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cc(F)ccc1F ZINC000423510985 1042716280 /nfs/dbraw/zinc/71/62/80/1042716280.db2.gz SYQRKWWLPPOUDR-MOPGFXCFSA-N 1 3 318.411 4.486 20 0 DIADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000423496472 1042716291 /nfs/dbraw/zinc/71/62/91/1042716291.db2.gz DYXQWSBLQYLDBN-SJKOYZFVSA-N 1 3 322.374 4.235 20 0 DIADHO COc1ccc(C)cc1[C@@H](C)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423495608 1042716482 /nfs/dbraw/zinc/71/64/82/1042716482.db2.gz CEBJXZXCCRQRBT-VQIMIIECSA-N 1 3 312.457 4.134 20 0 DIADHO C[C@H](C[NH2+][C@@H]1CCCSc2ccc(Cl)cc21)CN(C)C ZINC000425926363 1042875582 /nfs/dbraw/zinc/87/55/82/1042875582.db2.gz RYMAFPWZDSUWQT-IUODEOHRSA-N 1 3 312.910 4.054 20 0 DIADHO Cc1ccc2cc([C@@H](C)[NH2+]C3CCN(CC4CC4)CC3)oc2c1 ZINC000425932092 1042876239 /nfs/dbraw/zinc/87/62/39/1042876239.db2.gz UACHJCVZNNAIJP-OAHLLOKOSA-N 1 3 312.457 4.266 20 0 DIADHO C[C@H](C[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21)CN(C)C ZINC000425955461 1042886408 /nfs/dbraw/zinc/88/64/08/1042886408.db2.gz ZSLQKUBKDYFKRP-CVEARBPZSA-N 1 3 315.505 4.011 20 0 DIADHO CC[C@@H](c1ccccc1)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995084 1043068197 /nfs/dbraw/zinc/06/81/97/1043068197.db2.gz VLUGDJONAHGMDO-JKWVGCSGSA-N 1 3 312.501 4.475 20 0 DIADHO CC[C@@H](c1ccccc1)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995084 1043068209 /nfs/dbraw/zinc/06/82/09/1043068209.db2.gz VLUGDJONAHGMDO-JKWVGCSGSA-N 1 3 312.501 4.475 20 0 DIADHO CC[C@@H](c1ccccc1)[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995084 1043068218 /nfs/dbraw/zinc/06/82/18/1043068218.db2.gz VLUGDJONAHGMDO-JKWVGCSGSA-N 1 3 312.501 4.475 20 0 DIADHO CC[C@@H](c1ccccc1)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995084 1043068230 /nfs/dbraw/zinc/06/82/30/1043068230.db2.gz VLUGDJONAHGMDO-JKWVGCSGSA-N 1 3 312.501 4.475 20 0 DIADHO C[N@H+](Cc1ccccc1CNCc1cc[nH]c1)C1CCCCC1 ZINC000175700202 1043088159 /nfs/dbraw/zinc/08/81/59/1043088159.db2.gz UQPUDYJPYYXIIO-UHFFFAOYSA-N 1 3 311.473 4.069 20 0 DIADHO C[N@@H+](Cc1ccccc1CNCc1cc[nH]c1)C1CCCCC1 ZINC000175700202 1043088168 /nfs/dbraw/zinc/08/81/68/1043088168.db2.gz UQPUDYJPYYXIIO-UHFFFAOYSA-N 1 3 311.473 4.069 20 0 DIADHO Cc1cncc([C@H](C)NCc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000184322615 1043183432 /nfs/dbraw/zinc/18/34/32/1043183432.db2.gz WSOSCOSJJJVAKT-KRWDZBQOSA-N 1 3 311.473 4.081 20 0 DIADHO Cc1cncc([C@H](C)NCc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000184322615 1043183443 /nfs/dbraw/zinc/18/34/43/1043183443.db2.gz WSOSCOSJJJVAKT-KRWDZBQOSA-N 1 3 311.473 4.081 20 0 DIADHO CC(C)c1nc([C@@H](C)NC2CCC(C)([NH+](C)C)CC2)cs1 ZINC000866516931 1043216350 /nfs/dbraw/zinc/21/63/50/1043216350.db2.gz DVTDOEKXWINLER-TUBUQKNSSA-N 1 3 309.523 4.180 20 0 DIADHO C[NH+](C)C1(C)CCC(N[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000866516330 1043216424 /nfs/dbraw/zinc/21/64/24/1043216424.db2.gz PJSWAJKMEQAQTF-VEDCXYSMSA-N 1 3 323.484 4.024 20 0 DIADHO CC[C@@H]1c2ccccc2CCN1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168003278 1043221208 /nfs/dbraw/zinc/22/12/08/1043221208.db2.gz MUPFMQPGEARTII-XQXKNUKBSA-N 1 3 324.512 4.401 20 0 DIADHO CC[C@@H]1c2ccccc2CCN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168003278 1043221213 /nfs/dbraw/zinc/22/12/13/1043221213.db2.gz MUPFMQPGEARTII-XQXKNUKBSA-N 1 3 324.512 4.401 20 0 DIADHO CC[C@@H]1c2ccccc2CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001168003278 1043221220 /nfs/dbraw/zinc/22/12/20/1043221220.db2.gz MUPFMQPGEARTII-XQXKNUKBSA-N 1 3 324.512 4.401 20 0 DIADHO CC[C@@H]1c2ccccc2CC[N@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001168003278 1043221224 /nfs/dbraw/zinc/22/12/24/1043221224.db2.gz MUPFMQPGEARTII-XQXKNUKBSA-N 1 3 324.512 4.401 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCCNc3ccccc32)c1 ZINC000192827925 1043275028 /nfs/dbraw/zinc/27/50/28/1043275028.db2.gz BDCBRBSRWIESAA-NRFANRHFSA-N 1 3 323.484 4.175 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCCNc3ccccc32)c1 ZINC000192827925 1043275040 /nfs/dbraw/zinc/27/50/40/1043275040.db2.gz BDCBRBSRWIESAA-NRFANRHFSA-N 1 3 323.484 4.175 20 0 DIADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2cccc(O)c2)c1 ZINC000194856146 1043295227 /nfs/dbraw/zinc/29/52/27/1043295227.db2.gz QHMXQOZQTXALSQ-MRXNPFEDSA-N 1 3 312.457 4.085 20 0 DIADHO Cc1ccncc1[C@@H](C)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000427854974 1043309110 /nfs/dbraw/zinc/30/91/10/1043309110.db2.gz ROSMPNWDLLDPFH-WIYYLYMNSA-N 1 3 323.484 4.095 20 0 DIADHO Cc1ccncc1[C@@H](C)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000427854974 1043309120 /nfs/dbraw/zinc/30/91/20/1043309120.db2.gz ROSMPNWDLLDPFH-WIYYLYMNSA-N 1 3 323.484 4.095 20 0 DIADHO CC1(C)C[C@H](NC2CC[NH+](C3CC3)CC2)c2ccccc2S1 ZINC000872017738 1043419736 /nfs/dbraw/zinc/41/97/36/1043419736.db2.gz FHLSRKSRLVNYNL-KRWDZBQOSA-N 1 3 316.514 4.219 20 0 DIADHO C[C@@H]1C[C@H](N[C@@H]2CC(C)(C)Sc3ccccc32)CC[N@@H+]1C ZINC000872040697 1043430664 /nfs/dbraw/zinc/43/06/64/1043430664.db2.gz ZSWYNCLTJVBRQC-IIAWOOMASA-N 1 3 304.503 4.074 20 0 DIADHO C[C@@H]1C[C@H](N[C@@H]2CC(C)(C)Sc3ccccc32)CC[N@H+]1C ZINC000872040697 1043430670 /nfs/dbraw/zinc/43/06/70/1043430670.db2.gz ZSWYNCLTJVBRQC-IIAWOOMASA-N 1 3 304.503 4.074 20 0 DIADHO C[C@@H](N[C@H]1C[C@@H](C)c2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000558161102 1043447423 /nfs/dbraw/zinc/44/74/23/1043447423.db2.gz WRLFCCCTKJCKKF-VWXURSGXSA-N 1 3 312.501 4.478 20 0 DIADHO C[C@@H](N[C@H]1C[C@@H](C)c2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000558161102 1043447429 /nfs/dbraw/zinc/44/74/29/1043447429.db2.gz WRLFCCCTKJCKKF-VWXURSGXSA-N 1 3 312.501 4.478 20 0 DIADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283171176 1043462192 /nfs/dbraw/zinc/46/21/92/1043462192.db2.gz JEVJOSYFOJSIRB-CZAAIQMYSA-N 1 3 312.501 4.175 20 0 DIADHO Cc1ccccc1[C@H](NC[C@H]1C[NH2+]CCC1(F)F)C1CCCC1 ZINC000925775913 1043469654 /nfs/dbraw/zinc/46/96/54/1043469654.db2.gz HZOLJWFZBHXLLK-SJLPKXTDSA-N 1 3 322.443 4.061 20 0 DIADHO COc1ccc([C@H](C)N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1C ZINC000925832437 1043480288 /nfs/dbraw/zinc/48/02/88/1043480288.db2.gz VTPLYGSFDMEIKO-VDGAXYAQSA-N 1 3 324.468 4.148 20 0 DIADHO Cc1ccc(C)c2c1CCC[C@@H]2NC1CC[NH+](C2CCC2)CC1 ZINC000349823858 1043526830 /nfs/dbraw/zinc/52/68/30/1043526830.db2.gz WNSNBYXLCTYPKP-FQEVSTJZSA-N 1 3 312.501 4.287 20 0 DIADHO CCCCc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000314643678 1043557246 /nfs/dbraw/zinc/55/72/46/1043557246.db2.gz FNVCZVAXXRLBLW-WMZOPIPTSA-N 1 3 300.490 4.164 20 0 DIADHO CCCCc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000314643678 1043557261 /nfs/dbraw/zinc/55/72/61/1043557261.db2.gz FNVCZVAXXRLBLW-WMZOPIPTSA-N 1 3 300.490 4.164 20 0 DIADHO C[NH+](C)[C@@H]1CCCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000558741474 1043587563 /nfs/dbraw/zinc/58/75/63/1043587563.db2.gz IWUIENWFOQQYFW-HXUWFJFHSA-N 1 3 308.469 4.192 20 0 DIADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](CC(C)C)c2ccccc2)C1 ZINC000474271898 1043718472 /nfs/dbraw/zinc/71/84/72/1043718472.db2.gz PCYKACPVZCFFEU-AZUAARDMSA-N 1 3 302.506 4.090 20 0 DIADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](CC(C)C)c2ccccc2)C1 ZINC000474271898 1043718488 /nfs/dbraw/zinc/71/84/88/1043718488.db2.gz PCYKACPVZCFFEU-AZUAARDMSA-N 1 3 302.506 4.090 20 0 DIADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000443854997 1044040970 /nfs/dbraw/zinc/04/09/70/1044040970.db2.gz OZUCROAYMGLHML-HLNWXESRSA-N 1 3 304.522 4.221 20 0 DIADHO C[C@H](N[C@H]1CCCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358475822 1044073718 /nfs/dbraw/zinc/07/37/18/1044073718.db2.gz WLIQCZZECXTJNC-CDXJDZJCSA-N 1 3 312.501 4.307 20 0 DIADHO C[C@H](N[C@H]1CCCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358475822 1044073733 /nfs/dbraw/zinc/07/37/33/1044073733.db2.gz WLIQCZZECXTJNC-CDXJDZJCSA-N 1 3 312.501 4.307 20 0 DIADHO C[C@H]([NH2+][C@H]1CCCc2ccccc21)[C@@H]1CCCN(C2CCC2)C1 ZINC000358475822 1044073748 /nfs/dbraw/zinc/07/37/48/1044073748.db2.gz WLIQCZZECXTJNC-CDXJDZJCSA-N 1 3 312.501 4.307 20 0 DIADHO Cc1sccc1CNCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000293733857 1044319844 /nfs/dbraw/zinc/31/98/44/1044319844.db2.gz ZLWGDVGFCJOLDL-UHFFFAOYSA-N 1 3 302.487 4.187 20 0 DIADHO Cc1sccc1CNCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000293733857 1044319849 /nfs/dbraw/zinc/31/98/49/1044319849.db2.gz ZLWGDVGFCJOLDL-UHFFFAOYSA-N 1 3 302.487 4.187 20 0 DIADHO Clc1ccc(CC2(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000293780246 1044326605 /nfs/dbraw/zinc/32/66/05/1044326605.db2.gz TVTXDUSABDEVPV-QZTJIDSGSA-N 1 3 318.892 4.022 20 0 DIADHO Clc1ccc(CC2(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000293780246 1044326617 /nfs/dbraw/zinc/32/66/17/1044326617.db2.gz TVTXDUSABDEVPV-QZTJIDSGSA-N 1 3 318.892 4.022 20 0 DIADHO Fc1ccc(CCNC2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000564762518 1044401744 /nfs/dbraw/zinc/40/17/44/1044401744.db2.gz VKAWCXKOUYZLOP-UHFFFAOYSA-N 1 3 324.871 4.018 20 0 DIADHO Fc1ccc(CC[NH2+]C2CCN(C3CCCC3)CC2)c(Cl)c1 ZINC000564762518 1044401750 /nfs/dbraw/zinc/40/17/50/1044401750.db2.gz VKAWCXKOUYZLOP-UHFFFAOYSA-N 1 3 324.871 4.018 20 0 DIADHO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000566039412 1044471236 /nfs/dbraw/zinc/47/12/36/1044471236.db2.gz OVMONCXDCOGDLM-AQNXPRMDSA-N 1 3 300.490 4.067 20 0 DIADHO C[C@H](CNC1CC([NH+]2CCCCC2)C1)c1cccc(Cl)c1 ZINC000475573689 1044510903 /nfs/dbraw/zinc/51/09/03/1044510903.db2.gz MNQADXFWZBTXJZ-RWBZWWBESA-N 1 3 306.881 4.050 20 0 DIADHO CCc1c2ccccc2oc1[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC000567049247 1044540051 /nfs/dbraw/zinc/54/00/51/1044540051.db2.gz HHDJUBZCMBPXKG-AWEZNQCLSA-N 1 3 308.425 4.305 20 0 DIADHO CCOc1cccc2cc([C@H](C)NCc3ccc(C[NH3+])cc3)oc21 ZINC000567895796 1044587635 /nfs/dbraw/zinc/58/76/35/1044587635.db2.gz YASUQWNUDMRKCQ-AWEZNQCLSA-N 1 3 324.424 4.141 20 0 DIADHO CCc1ccccc1CC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000444669585 1044598745 /nfs/dbraw/zinc/59/87/45/1044598745.db2.gz GTJABBAYXQOIDA-PXNSSMCTSA-N 1 3 314.517 4.034 20 0 DIADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296259326 1044603176 /nfs/dbraw/zinc/60/31/76/1044603176.db2.gz DDDOZDOLCIAEFX-KOLWVEQXSA-N 1 3 323.484 4.069 20 0 DIADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296259326 1044603183 /nfs/dbraw/zinc/60/31/83/1044603183.db2.gz DDDOZDOLCIAEFX-KOLWVEQXSA-N 1 3 323.484 4.069 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCC[C@H]2CCc2ccccc2)C1 ZINC000568140564 1044605939 /nfs/dbraw/zinc/60/59/39/1044605939.db2.gz PLUMYDNNCZCHLX-HKBOAZHASA-N 1 3 314.517 4.108 20 0 DIADHO CC(C)c1csc(CNC2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000886541051 1044657113 /nfs/dbraw/zinc/65/71/13/1044657113.db2.gz PJQHFXZBHJIWAB-UHFFFAOYSA-N 1 3 321.534 4.153 20 0 DIADHO CC[N@H+](C)Cc1cccc(CNCc2ccc(SC)s2)c1 ZINC000568920289 1044657636 /nfs/dbraw/zinc/65/76/36/1044657636.db2.gz ZOTYIZGLTXOGFA-UHFFFAOYSA-N 1 3 320.527 4.212 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(SC)s2)c1 ZINC000568920289 1044657650 /nfs/dbraw/zinc/65/76/50/1044657650.db2.gz ZOTYIZGLTXOGFA-UHFFFAOYSA-N 1 3 320.527 4.212 20 0 DIADHO C[C@H](c1ccc(Oc2ccccc2)cc1)[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000445315715 1044702428 /nfs/dbraw/zinc/70/24/28/1044702428.db2.gz IVJAKSDGQLWYPE-MSOLQXFVSA-N 1 3 324.468 4.423 20 0 DIADHO C[C@H](c1ccc(Oc2ccccc2)cc1)[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000445315715 1044702443 /nfs/dbraw/zinc/70/24/43/1044702443.db2.gz IVJAKSDGQLWYPE-MSOLQXFVSA-N 1 3 324.468 4.423 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(F)cc2)c1 ZINC000123981213 1044790199 /nfs/dbraw/zinc/79/01/99/1044790199.db2.gz VLGRIQNZJVJRNT-HNNXBMFYSA-N 1 3 300.421 4.128 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(F)cc2)c1 ZINC000123981213 1044790211 /nfs/dbraw/zinc/79/02/11/1044790211.db2.gz VLGRIQNZJVJRNT-HNNXBMFYSA-N 1 3 300.421 4.128 20 0 DIADHO C[C@@H](CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1)N1CCCCC1 ZINC000574081729 1044938331 /nfs/dbraw/zinc/93/83/31/1044938331.db2.gz KZCWSQAOGZOZFV-ASFAAARLSA-N 1 3 322.443 4.065 20 0 DIADHO C[C@@H](CCNC1CC(c2cc(F)cc(F)c2)C1)[NH+]1CCCCC1 ZINC000574081729 1044938340 /nfs/dbraw/zinc/93/83/40/1044938340.db2.gz KZCWSQAOGZOZFV-ASFAAARLSA-N 1 3 322.443 4.065 20 0 DIADHO Clc1ccc(CCCN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000524893263 1044943167 /nfs/dbraw/zinc/94/31/67/1044943167.db2.gz JEKUEHFWYLILLX-LJQANCHMSA-N 1 3 320.908 4.223 20 0 DIADHO CSc1ccc([C@@H](C)[NH2+]C2CC(N3CCCCC3)C2)cc1F ZINC000373524476 1044985032 /nfs/dbraw/zinc/98/50/32/1044985032.db2.gz SQROBRVQUYOSNC-IUDNXUCKSA-N 1 3 322.493 4.215 20 0 DIADHO Clc1oc2ccccc2c1CNCC1CC[NH+](C2CC2)CC1 ZINC000446886389 1045066465 /nfs/dbraw/zinc/06/64/65/1045066465.db2.gz GBXOGRSJUZXEFH-UHFFFAOYSA-N 1 3 318.848 4.050 20 0 DIADHO CC(C)[C@H]1C[C@@H](NC2CC[NH+](C3CCC3)CC2)c2ccccc21 ZINC000447534587 1045141343 /nfs/dbraw/zinc/14/13/43/1045141343.db2.gz YOYFUQYPLJKMNE-NHCUHLMSSA-N 1 3 312.501 4.478 20 0 DIADHO Cc1ccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)cc1F ZINC000924591412 1045181392 /nfs/dbraw/zinc/18/13/92/1045181392.db2.gz WHNKSROABGXDPW-OAHLLOKOSA-N 1 3 300.421 4.047 20 0 DIADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1csc2ccccc12 ZINC000924648571 1045187331 /nfs/dbraw/zinc/18/73/31/1045187331.db2.gz LTJVKZRUEFFTGF-KBPBESRZSA-N 1 3 300.471 4.036 20 0 DIADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1csc2ccccc12 ZINC000924648571 1045187339 /nfs/dbraw/zinc/18/73/39/1045187339.db2.gz LTJVKZRUEFFTGF-KBPBESRZSA-N 1 3 300.471 4.036 20 0 DIADHO COc1cccc([C@H](C)N[C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924722107 1045194570 /nfs/dbraw/zinc/19/45/70/1045194570.db2.gz FVWUXBZDRHQBOD-HOTGVXAUSA-N 1 3 312.457 4.169 20 0 DIADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3ccccc3)C2)s1 ZINC000578401074 1045240895 /nfs/dbraw/zinc/24/08/95/1045240895.db2.gz ZKLLEHACZBXPCF-SFHVURJKSA-N 1 3 314.498 4.010 20 0 DIADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3ccccc3)C2)s1 ZINC000578401074 1045240901 /nfs/dbraw/zinc/24/09/01/1045240901.db2.gz ZKLLEHACZBXPCF-SFHVURJKSA-N 1 3 314.498 4.010 20 0 DIADHO Cc1cc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cs1 ZINC000449162677 1045356975 /nfs/dbraw/zinc/35/69/75/1045356975.db2.gz SSEGCNCHLNMIHP-NVXWUHKLSA-N 1 3 320.527 4.291 20 0 DIADHO Cc1cc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cs1 ZINC000449162677 1045356979 /nfs/dbraw/zinc/35/69/79/1045356979.db2.gz SSEGCNCHLNMIHP-NVXWUHKLSA-N 1 3 320.527 4.291 20 0 DIADHO Cc1cc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cs1 ZINC000449162680 1045357219 /nfs/dbraw/zinc/35/72/19/1045357219.db2.gz SSEGCNCHLNMIHP-WBVHZDCISA-N 1 3 320.527 4.291 20 0 DIADHO Cc1cc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cs1 ZINC000449162680 1045357223 /nfs/dbraw/zinc/35/72/23/1045357223.db2.gz SSEGCNCHLNMIHP-WBVHZDCISA-N 1 3 320.527 4.291 20 0 DIADHO CSCC1CCC([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 ZINC000449231298 1045365601 /nfs/dbraw/zinc/36/56/01/1045365601.db2.gz DCUZWTHDMBVVOX-NALMEZQBSA-N 1 3 324.578 4.151 20 0 DIADHO C[NH+](C)CCCC(C)(C)NCc1csc(-c2cccs2)n1 ZINC000449527181 1045407802 /nfs/dbraw/zinc/40/78/02/1045407802.db2.gz GSYRRGPHZWXKMF-UHFFFAOYSA-N 1 3 323.531 4.082 20 0 DIADHO CCCc1ccc2nccc(N3CCC([NH2+]C(C)C)CC3)c2c1 ZINC000450299632 1045484004 /nfs/dbraw/zinc/48/40/04/1045484004.db2.gz BSRSQQINPPEWIO-UHFFFAOYSA-N 1 3 311.473 4.154 20 0 DIADHO C[C@H]([NH2+]CC/C=C/c1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000450729082 1045554755 /nfs/dbraw/zinc/55/47/55/1045554755.db2.gz QZVBWZXESBVYED-OVQHYLNESA-N 1 3 312.501 4.333 20 0 DIADHO C[C@@H](NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000381772226 1045583253 /nfs/dbraw/zinc/58/32/53/1045583253.db2.gz SWOIDUKWPLSEIO-NQIIRXRSSA-N 1 3 308.469 4.249 20 0 DIADHO C[C@@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000381772226 1045583270 /nfs/dbraw/zinc/58/32/70/1045583270.db2.gz SWOIDUKWPLSEIO-NQIIRXRSSA-N 1 3 308.469 4.249 20 0 DIADHO C[C@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000381772224 1045584023 /nfs/dbraw/zinc/58/40/23/1045584023.db2.gz SWOIDUKWPLSEIO-GHTZIAJQSA-N 1 3 308.469 4.249 20 0 DIADHO C[C@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000381772224 1045584027 /nfs/dbraw/zinc/58/40/27/1045584027.db2.gz SWOIDUKWPLSEIO-GHTZIAJQSA-N 1 3 308.469 4.249 20 0 DIADHO Cc1cccc([C@@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C(C)C)c1 ZINC000530227248 1045622158 /nfs/dbraw/zinc/62/21/58/1045622158.db2.gz WNXFNLDUYPPJMN-UZLBHIALSA-N 1 3 311.473 4.205 20 0 DIADHO COc1ccc([C@@H](C)[NH2+]C2CC(N3CCCCC3)C2)cc1Cl ZINC000530371828 1045654967 /nfs/dbraw/zinc/65/49/67/1045654967.db2.gz AXPYMCRZWNLAFD-IUDNXUCKSA-N 1 3 322.880 4.016 20 0 DIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCCc3ncccc32)c1 ZINC000631577720 1045878440 /nfs/dbraw/zinc/87/84/40/1045878440.db2.gz VGFWQFZDPRYQFB-NRFANRHFSA-N 1 3 323.484 4.089 20 0 DIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCCc3ncccc32)c1 ZINC000631577720 1045878453 /nfs/dbraw/zinc/87/84/53/1045878453.db2.gz VGFWQFZDPRYQFB-NRFANRHFSA-N 1 3 323.484 4.089 20 0 DIADHO Cc1ccccc1C[NH+]1CCC(N[C@@H](C)c2ccccc2)CC1 ZINC000531701003 1045900574 /nfs/dbraw/zinc/90/05/74/1045900574.db2.gz VULACSCLPUOSRZ-SFHVURJKSA-N 1 3 308.469 4.310 20 0 DIADHO C[C@H]1CC[C@@H](NC2CC[NH+](CC3CC3)CC2)c2sccc21 ZINC000453067481 1045915374 /nfs/dbraw/zinc/91/53/74/1045915374.db2.gz WOOATRLUTHRNMG-SUMWQHHRSA-N 1 3 304.503 4.151 20 0 DIADHO CC(C)(C)[NH+]1CCC(NC2(Cc3cccc(Cl)c3)CC2)CC1 ZINC000453344002 1046047555 /nfs/dbraw/zinc/04/75/55/1046047555.db2.gz DUSODHLRJVBFNI-UHFFFAOYSA-N 1 3 320.908 4.268 20 0 DIADHO C[N@H+](CCCCNCc1csc(Cl)c1Cl)C1CC1 ZINC000453591463 1046096078 /nfs/dbraw/zinc/09/60/78/1046096078.db2.gz CEDDEHWGWGWWJH-UHFFFAOYSA-N 1 3 307.290 4.019 20 0 DIADHO C[N@@H+](CCCCNCc1csc(Cl)c1Cl)C1CC1 ZINC000453591463 1046096091 /nfs/dbraw/zinc/09/60/91/1046096091.db2.gz CEDDEHWGWGWWJH-UHFFFAOYSA-N 1 3 307.290 4.019 20 0 DIADHO Clc1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000061556980 1046105205 /nfs/dbraw/zinc/10/52/05/1046105205.db2.gz YJPVWZDMDZFDDB-UHFFFAOYSA-N 1 3 314.860 4.226 20 0 DIADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(C(F)(F)F)s1 ZINC000903069631 1046154456 /nfs/dbraw/zinc/15/44/56/1046154456.db2.gz IPVYBLVPJGBSGD-RYUDHWBXSA-N 1 3 320.424 4.149 20 0 DIADHO C[C@@H](NC1CCC(C)([NH+]2CCCC2)CC1)c1ccncc1Cl ZINC000903252789 1046209451 /nfs/dbraw/zinc/20/94/51/1046209451.db2.gz HDMYYIHPHSCYED-KSTDHSDQSA-N 1 3 321.896 4.183 20 0 DIADHO CN1CC2(C1)CC[NH+](Cc1ccc(-c3ccc(F)cc3)cc1)CC2 ZINC001138683965 1046267697 /nfs/dbraw/zinc/26/76/97/1046267697.db2.gz AXXOWEVNWGGFEN-UHFFFAOYSA-N 1 3 324.443 4.020 20 0 DIADHO c1csc(CN[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638280807 1046307705 /nfs/dbraw/zinc/30/77/05/1046307705.db2.gz KIZAJAOBJHHQQV-VQIMIIECSA-N 1 3 312.482 4.206 20 0 DIADHO c1csc(CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638280807 1046307718 /nfs/dbraw/zinc/30/77/18/1046307718.db2.gz KIZAJAOBJHHQQV-VQIMIIECSA-N 1 3 312.482 4.206 20 0 DIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CCC(F)(F)C2)CC1 ZINC000648482951 1046322705 /nfs/dbraw/zinc/32/27/05/1046322705.db2.gz ZOKFDRLVYULIDZ-HNNXBMFYSA-N 1 3 316.480 4.443 20 0 DIADHO CC[N@H+](C[C@@H](N)CC(F)F)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908911 1046340903 /nfs/dbraw/zinc/34/09/03/1046340903.db2.gz PTKSDIQELAOOLA-MFKMUULPSA-N 1 3 324.337 4.071 20 0 DIADHO CC[N@@H+](C[C@@H](N)CC(F)F)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908911 1046340915 /nfs/dbraw/zinc/34/09/15/1046340915.db2.gz PTKSDIQELAOOLA-MFKMUULPSA-N 1 3 324.337 4.071 20 0 DIADHO CN(Cc1ccc(F)c2ccccc12)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000639161626 1046366601 /nfs/dbraw/zinc/36/66/01/1046366601.db2.gz FECCOLAIMMYUIJ-SJPCQFCGSA-N 1 3 312.432 4.036 20 0 DIADHO CN(Cc1ccc(F)c2ccccc12)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000639161626 1046366612 /nfs/dbraw/zinc/36/66/12/1046366612.db2.gz FECCOLAIMMYUIJ-SJPCQFCGSA-N 1 3 312.432 4.036 20 0 DIADHO C[NH+]1CCC(NCc2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC000045166936 1046401055 /nfs/dbraw/zinc/40/10/55/1046401055.db2.gz HORLZUPQUPQCAV-UHFFFAOYSA-N 1 3 314.860 4.191 20 0 DIADHO C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccnc1Cl ZINC000246944532 1046442794 /nfs/dbraw/zinc/44/27/94/1046442794.db2.gz HUJPGXWVINHVOE-BZUAXINKSA-N 1 3 323.912 4.144 20 0 DIADHO Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781428093 1046444596 /nfs/dbraw/zinc/44/45/96/1046444596.db2.gz ZNLIGNIKFJYZRA-MMOPVJDHSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781428093 1046444605 /nfs/dbraw/zinc/44/46/05/1046444605.db2.gz ZNLIGNIKFJYZRA-MMOPVJDHSA-N 1 3 312.501 4.225 20 0 DIADHO c1ccc2c(c1)oc1c2cccc1CN1CCC([NH+]2CCC2)CC1 ZINC001139860676 1046537993 /nfs/dbraw/zinc/53/79/93/1046537993.db2.gz IOTPQOBEESWRJL-UHFFFAOYSA-N 1 3 320.436 4.256 20 0 DIADHO c1cc2cnccc2c(CN2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001140145042 1046600703 /nfs/dbraw/zinc/60/07/03/1046600703.db2.gz XYXQOWREDAJBAW-HXUWFJFHSA-N 1 3 323.484 4.075 20 0 DIADHO c1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cs1 ZINC000245649702 1046622596 /nfs/dbraw/zinc/62/25/96/1046622596.db2.gz CHEWMZLAPHYLMR-REPLKXPHSA-N 1 3 312.482 4.033 20 0 DIADHO C[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000643521647 1046669138 /nfs/dbraw/zinc/66/91/38/1046669138.db2.gz RSQSWIDGWSPRQX-CZUORRHYSA-N 1 3 318.461 4.347 20 0 DIADHO COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)cc1CN1CCCCC1 ZINC000797129540 1046792585 /nfs/dbraw/zinc/79/25/85/1046792585.db2.gz MNPMOFVAASFERI-TXPKVOOTSA-N 1 3 316.489 4.130 20 0 DIADHO CC(C)c1ccc([C@H]([NH3+])CNCc2cccc3cnccc32)cc1 ZINC000666785655 1046876391 /nfs/dbraw/zinc/87/63/91/1046876391.db2.gz RZPPBYJMKUXSQS-OAQYLSRUSA-N 1 3 319.452 4.148 20 0 DIADHO c1oc2ccccc2c1C[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001140786088 1046899008 /nfs/dbraw/zinc/89/90/08/1046899008.db2.gz YCHJKWLBXUVGKC-GOSISDBHSA-N 1 3 312.457 4.273 20 0 DIADHO c1oc2ccccc2c1C[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001140786088 1046899024 /nfs/dbraw/zinc/89/90/24/1046899024.db2.gz YCHJKWLBXUVGKC-GOSISDBHSA-N 1 3 312.457 4.273 20 0 DIADHO CC(C)[N@@H+](CCCc1ccccc1Cl)[C@@H]1CCCNCC1 ZINC001206581534 1046902700 /nfs/dbraw/zinc/90/27/00/1046902700.db2.gz JXBXYQSXLOFYLX-QGZVFWFLSA-N 1 3 308.897 4.125 20 0 DIADHO CC(C)[N@H+](CCCc1ccccc1Cl)[C@@H]1CCCNCC1 ZINC001206581534 1046902686 /nfs/dbraw/zinc/90/26/86/1046902686.db2.gz JXBXYQSXLOFYLX-QGZVFWFLSA-N 1 3 308.897 4.125 20 0 DIADHO C[C@H]1SCC[C@@H]1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000647361555 1046992180 /nfs/dbraw/zinc/99/21/80/1046992180.db2.gz KYLSKGHOKBSAQD-ZBFHGGJFSA-N 1 3 312.567 4.149 20 0 DIADHO [NH3+]Cc1ccc(CN[C@@H]2CCc3c2ccc(Cl)c3Cl)cc1 ZINC000647803272 1047015374 /nfs/dbraw/zinc/01/53/74/1047015374.db2.gz QGZHGRGUBODKFL-MRXNPFEDSA-N 1 3 321.251 4.229 20 0 DIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccs1 ZINC000379624684 1047082339 /nfs/dbraw/zinc/08/23/39/1047082339.db2.gz JPYCVHBPRMTJKU-BQFCYCMXSA-N 1 3 314.498 4.452 20 0 DIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccs1 ZINC000379624684 1047082354 /nfs/dbraw/zinc/08/23/54/1047082354.db2.gz JPYCVHBPRMTJKU-BQFCYCMXSA-N 1 3 314.498 4.452 20 0 DIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccs1 ZINC000379624687 1047082473 /nfs/dbraw/zinc/08/24/73/1047082473.db2.gz JPYCVHBPRMTJKU-SOLBZPMBSA-N 1 3 314.498 4.452 20 0 DIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccs1 ZINC000379624687 1047082487 /nfs/dbraw/zinc/08/24/87/1047082487.db2.gz JPYCVHBPRMTJKU-SOLBZPMBSA-N 1 3 314.498 4.452 20 0 DIADHO Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379646899 1047091259 /nfs/dbraw/zinc/09/12/59/1047091259.db2.gz JQRIKUFUDAJGET-WIYYLYMNSA-N 1 3 308.469 4.138 20 0 DIADHO Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379646899 1047091275 /nfs/dbraw/zinc/09/12/75/1047091275.db2.gz JQRIKUFUDAJGET-WIYYLYMNSA-N 1 3 308.469 4.138 20 0 DIADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCCC(F)(F)C3)CC2)C1 ZINC000536851584 1047111449 /nfs/dbraw/zinc/11/14/49/1047111449.db2.gz LRTRVCJNLLGLIS-DJIMGWMZSA-N 1 3 314.464 4.197 20 0 DIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CCCC(F)(F)C3)CC2)C1 ZINC000536851584 1047111454 /nfs/dbraw/zinc/11/14/54/1047111454.db2.gz LRTRVCJNLLGLIS-DJIMGWMZSA-N 1 3 314.464 4.197 20 0 DIADHO CCSc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCN(CC)C1 ZINC001116289221 1047127695 /nfs/dbraw/zinc/12/76/95/1047127695.db2.gz SUGNKSMQPSFVOY-CVEARBPZSA-N 1 3 306.519 4.181 20 0 DIADHO CC(C)C[C@@H](NCc1ccc(C[NH3+])cc1F)c1cccs1 ZINC000650753912 1047278679 /nfs/dbraw/zinc/27/86/79/1047278679.db2.gz XZYVPXLIIHXGTO-MRXNPFEDSA-N 1 3 306.450 4.223 20 0 DIADHO C[C@H]1CCC[C@H](N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)S4)CC2)C1 ZINC000897748934 1047284731 /nfs/dbraw/zinc/28/47/31/1047284731.db2.gz LTDCLZVYKXZICZ-SBXRHNTMSA-N 1 3 322.562 4.046 20 0 DIADHO CC(C)C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000652204776 1047346487 /nfs/dbraw/zinc/34/64/87/1047346487.db2.gz BTENAESUJNSTES-XVLXNVKGSA-N 1 3 304.453 4.128 20 0 DIADHO CC(C)C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000652204776 1047346501 /nfs/dbraw/zinc/34/65/01/1047346501.db2.gz BTENAESUJNSTES-XVLXNVKGSA-N 1 3 304.453 4.128 20 0 DIADHO C[C@H]1C[C@@H](N(C)Cc2cccc(-c3ccccc3)c2)CC[N@@H+]1C ZINC000537618161 1047456900 /nfs/dbraw/zinc/45/69/00/1047456900.db2.gz OXBUZESXVQAPGE-UWJYYQICSA-N 1 3 308.469 4.268 20 0 DIADHO C[C@H]1C[C@@H](N(C)Cc2cccc(-c3ccccc3)c2)CC[N@H+]1C ZINC000537618161 1047456903 /nfs/dbraw/zinc/45/69/03/1047456903.db2.gz OXBUZESXVQAPGE-UWJYYQICSA-N 1 3 308.469 4.268 20 0 DIADHO c1ccc([C@@H]2C[C@H]2C[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000121223257 1047514942 /nfs/dbraw/zinc/51/49/42/1047514942.db2.gz WKWPSGBKBIPNIE-RXVVDRJESA-N 1 3 312.501 4.177 20 0 DIADHO C[C@H](c1ccc(Cl)cc1Cl)N1CCC2(C1)CC[NH2+]CC2 ZINC000843363915 1047543399 /nfs/dbraw/zinc/54/33/99/1047543399.db2.gz UUQMTSYPVYSPSK-GFCCVEGCSA-N 1 3 313.272 4.130 20 0 DIADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(OCC)cc2)CC1 ZINC000122968177 1047565553 /nfs/dbraw/zinc/56/55/53/1047565553.db2.gz UILARXSEBDTXRX-MRXNPFEDSA-N 1 3 304.478 4.000 20 0 DIADHO Fc1ccc2c(c1)CC[C@@H]2NCc1cccc(C[NH+]2CCCC2)c1 ZINC000122991674 1047566719 /nfs/dbraw/zinc/56/67/19/1047566719.db2.gz NFUAANGVSPHDRB-NRFANRHFSA-N 1 3 324.443 4.199 20 0 DIADHO C[C@@H](c1cccnc1)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476976283 1047586763 /nfs/dbraw/zinc/58/67/63/1047586763.db2.gz WANXZWBVWHCHKX-ROUUACIJSA-N 1 3 315.505 4.119 20 0 DIADHO C[C@@H](c1cccnc1)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476976283 1047586768 /nfs/dbraw/zinc/58/67/68/1047586768.db2.gz WANXZWBVWHCHKX-ROUUACIJSA-N 1 3 315.505 4.119 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CC(C)(C)c2ccccc2)C1 ZINC000314961580 1047592015 /nfs/dbraw/zinc/59/20/15/1047592015.db2.gz UWAFAHHRZDUCQX-QZTJIDSGSA-N 1 3 302.506 4.063 20 0 DIADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C[C@@H](c2ccccc2)C1 ZINC000666995056 1047613243 /nfs/dbraw/zinc/61/32/43/1047613243.db2.gz BNMZTMADPHZUEZ-LEAZDLGRSA-N 1 3 312.501 4.223 20 0 DIADHO [NH3+]C[C@H]1CCCCN(Cc2ccc(F)c(-c3ccccc3)c2)C1 ZINC001206648607 1047630315 /nfs/dbraw/zinc/63/03/15/1047630315.db2.gz NHVWYCWONLEXHZ-QGZVFWFLSA-N 1 3 312.432 4.054 20 0 DIADHO Cc1ccc([C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C2CC2)cc1 ZINC000538099166 1047657681 /nfs/dbraw/zinc/65/76/81/1047657681.db2.gz RUJVHEQRXXGMBJ-PXNSSMCTSA-N 1 3 300.490 4.156 20 0 DIADHO Cc1ccc([C@H](NC[C@@H]2CCC[N@@H+](C(C)C)C2)C2CC2)cc1 ZINC000538099166 1047657684 /nfs/dbraw/zinc/65/76/84/1047657684.db2.gz RUJVHEQRXXGMBJ-PXNSSMCTSA-N 1 3 300.490 4.156 20 0 DIADHO Cc1ccc([C@H](NC[C@@H]2CCC[N@H+](C(C)C)C2)C2CC2)cc1 ZINC000538099166 1047657687 /nfs/dbraw/zinc/65/76/87/1047657687.db2.gz RUJVHEQRXXGMBJ-PXNSSMCTSA-N 1 3 300.490 4.156 20 0 DIADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1cccc(F)c1F ZINC000538454030 1047679315 /nfs/dbraw/zinc/67/93/15/1047679315.db2.gz QJEWUFBPPKAZET-HNNXBMFYSA-N 1 3 310.432 4.128 20 0 DIADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(F)c1F ZINC000538453656 1047679655 /nfs/dbraw/zinc/67/96/55/1047679655.db2.gz BBWCRXIFBNLOLJ-CABCVRRESA-N 1 3 310.432 4.128 20 0 DIADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(F)c1F ZINC000538453656 1047679658 /nfs/dbraw/zinc/67/96/58/1047679658.db2.gz BBWCRXIFBNLOLJ-CABCVRRESA-N 1 3 310.432 4.128 20 0 DIADHO Cc1ccc2c(c1)[C@H](Nc1cc(C)cc(C)n1)CC21CC[NH2+]CC1 ZINC001155430590 1047680311 /nfs/dbraw/zinc/68/03/11/1047680311.db2.gz HYDQAKNNRBRNRZ-LJQANCHMSA-N 1 3 321.468 4.185 20 0 DIADHO C[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000643521644 1047748297 /nfs/dbraw/zinc/74/82/97/1047748297.db2.gz RSQSWIDGWSPRQX-BBRMVZONSA-N 1 3 318.461 4.347 20 0 DIADHO Cc1nc2ccc(Nc3ccc(C4CC[NH2+]CC4)cc3)cc2[nH]1 ZINC001159598556 1047877874 /nfs/dbraw/zinc/87/78/74/1047877874.db2.gz SKVFBAJCASFJGT-UHFFFAOYSA-N 1 3 306.413 4.082 20 0 DIADHO Cc1cc(F)ccc1[C@@H](C)[NH2+]C1CCN(CCC(C)C)CC1 ZINC001183728259 1047960697 /nfs/dbraw/zinc/96/06/97/1047960697.db2.gz QZGIBIZMBNKZQY-MRXNPFEDSA-N 1 3 306.469 4.295 20 0 DIADHO CCN(CC)CC[C@H]([NH2+]C[C@]1(C)CCCS1)c1ccccc1 ZINC001184340881 1048032219 /nfs/dbraw/zinc/03/22/19/1048032219.db2.gz ZSCIUXIBIMUIPJ-OALUTQOASA-N 1 3 320.546 4.335 20 0 DIADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cc(F)ccc1F ZINC000480613772 1048192145 /nfs/dbraw/zinc/19/21/45/1048192145.db2.gz QBDRMEIQVZKRLW-LSDHHAIUSA-N 1 3 310.432 4.270 20 0 DIADHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cc(F)ccc1F ZINC000480613772 1048192147 /nfs/dbraw/zinc/19/21/47/1048192147.db2.gz QBDRMEIQVZKRLW-LSDHHAIUSA-N 1 3 310.432 4.270 20 0 DIADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(F)cc1F ZINC000480611145 1048192446 /nfs/dbraw/zinc/19/24/46/1048192446.db2.gz KEPAVDHLWMVUGO-LSDHHAIUSA-N 1 3 310.432 4.128 20 0 DIADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(F)cc1F ZINC000480611145 1048192450 /nfs/dbraw/zinc/19/24/50/1048192450.db2.gz KEPAVDHLWMVUGO-LSDHHAIUSA-N 1 3 310.432 4.128 20 0 DIADHO CCN(C)C[C@H]1CC[N@@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000554819889 1048196444 /nfs/dbraw/zinc/19/64/44/1048196444.db2.gz JTTKSBZPUWFTAZ-GOSISDBHSA-N 1 3 308.469 4.050 20 0 DIADHO CCN(C)C[C@H]1CC[N@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000554819889 1048196446 /nfs/dbraw/zinc/19/64/46/1048196446.db2.gz JTTKSBZPUWFTAZ-GOSISDBHSA-N 1 3 308.469 4.050 20 0 DIADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1cc(F)ccc1F ZINC000480622980 1048198495 /nfs/dbraw/zinc/19/84/95/1048198495.db2.gz ZJFLRUAXJYRPOB-OAHLLOKOSA-N 1 3 310.432 4.128 20 0 DIADHO c1ccc(CN2CC=C(Nc3cc[nH+]c(C4CC4)c3)CC2)cc1 ZINC001175505414 1048340166 /nfs/dbraw/zinc/34/01/66/1048340166.db2.gz PJLZCNAKIMKALL-UHFFFAOYSA-N 1 3 305.425 4.161 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cccc(-c3ccccc3)c2)C1 ZINC000481296746 1048355337 /nfs/dbraw/zinc/35/53/37/1048355337.db2.gz URAVNERIUWYVDY-QZTJIDSGSA-N 1 3 308.469 4.346 20 0 DIADHO CC[N@@H+]1CC[C@H](CN[C@H](C)c2cccc(-c3ccccc3)c2)C1 ZINC000481296746 1048355353 /nfs/dbraw/zinc/35/53/53/1048355353.db2.gz URAVNERIUWYVDY-QZTJIDSGSA-N 1 3 308.469 4.346 20 0 DIADHO CC[N@H+]1CC[C@H](CN[C@H](C)c2cccc(-c3ccccc3)c2)C1 ZINC000481296746 1048355367 /nfs/dbraw/zinc/35/53/67/1048355367.db2.gz URAVNERIUWYVDY-QZTJIDSGSA-N 1 3 308.469 4.346 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(-c3cccs3)cc2)C1 ZINC000481305069 1048359410 /nfs/dbraw/zinc/35/94/10/1048359410.db2.gz JZFMJXADGATFQX-JKSUJKDBSA-N 1 3 314.498 4.408 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)C1 ZINC000481324279 1048366877 /nfs/dbraw/zinc/36/68/77/1048366877.db2.gz YATOKPFQGBZMBE-UNMCSNQZSA-N 1 3 322.496 4.292 20 0 DIADHO Cc1ccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)c(C)c1 ZINC000481423739 1048394114 /nfs/dbraw/zinc/39/41/14/1048394114.db2.gz WFNDCEGRLQGYCA-UHFFFAOYSA-N 1 3 314.517 4.233 20 0 DIADHO Cc1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)c(C)c1 ZINC000481423739 1048394122 /nfs/dbraw/zinc/39/41/22/1048394122.db2.gz WFNDCEGRLQGYCA-UHFFFAOYSA-N 1 3 314.517 4.233 20 0 DIADHO Clc1ccccc1CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000481954694 1048533527 /nfs/dbraw/zinc/53/35/27/1048533527.db2.gz QWTFDSHHTAENMD-UHFFFAOYSA-N 1 3 320.908 4.269 20 0 DIADHO Cc1cccc(-c2cccc(CN[C@H]3CC[N@@H+](C)C[C@@H]3C)c2)c1 ZINC000481935508 1048534013 /nfs/dbraw/zinc/53/40/13/1048534013.db2.gz YTRZFXARXLLPFB-UWJYYQICSA-N 1 3 308.469 4.092 20 0 DIADHO Cc1cccc(-c2cccc(CN[C@H]3CC[N@H+](C)C[C@@H]3C)c2)c1 ZINC000481935508 1048534027 /nfs/dbraw/zinc/53/40/27/1048534027.db2.gz YTRZFXARXLLPFB-UWJYYQICSA-N 1 3 308.469 4.092 20 0 DIADHO CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000482357175 1048593810 /nfs/dbraw/zinc/59/38/10/1048593810.db2.gz KHDNYBPHZDXIEB-MSOLQXFVSA-N 1 3 318.505 4.246 20 0 DIADHO Cc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000482448287 1048608263 /nfs/dbraw/zinc/60/82/63/1048608263.db2.gz FSCJAPCJWSDSRQ-CTNGQTDRSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000482448287 1048608270 /nfs/dbraw/zinc/60/82/70/1048608270.db2.gz FSCJAPCJWSDSRQ-CTNGQTDRSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000482448287 1048608277 /nfs/dbraw/zinc/60/82/77/1048608277.db2.gz FSCJAPCJWSDSRQ-CTNGQTDRSA-N 1 3 322.496 4.210 20 0 DIADHO CCCC[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775365919 1048708605 /nfs/dbraw/zinc/70/86/05/1048708605.db2.gz XDMPKZLZDVXXNG-INIZCTEOSA-N 1 3 304.478 4.132 20 0 DIADHO CN1CCC[C@H]1CC[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC001190628358 1048770912 /nfs/dbraw/zinc/77/09/12/1048770912.db2.gz XEKBCHNCQMKHRO-FQEVSTJZSA-N 1 3 320.480 4.413 20 0 DIADHO CN1CCC[C@H]1CC[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC001190628358 1048770927 /nfs/dbraw/zinc/77/09/27/1048770927.db2.gz XEKBCHNCQMKHRO-FQEVSTJZSA-N 1 3 320.480 4.413 20 0 DIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H]2CC=CCC2)ccc1OC ZINC000775411865 1048785461 /nfs/dbraw/zinc/78/54/61/1048785461.db2.gz QYZRCHPRVZOKNY-APWZRJJASA-N 1 3 316.489 4.296 20 0 DIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@H](C)C2CCC2)ccc1OC ZINC000775415760 1048792887 /nfs/dbraw/zinc/79/28/87/1048792887.db2.gz NTOAXUVRXWESLE-HZPDHXFCSA-N 1 3 318.505 4.376 20 0 DIADHO CCc1cccc(CNCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC001177276734 1048867527 /nfs/dbraw/zinc/86/75/27/1048867527.db2.gz GKZLJQVYWMVRCH-UHFFFAOYSA-N 1 3 310.485 4.379 20 0 DIADHO CCc1cccc(CNCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC001177276734 1048867548 /nfs/dbraw/zinc/86/75/48/1048867548.db2.gz GKZLJQVYWMVRCH-UHFFFAOYSA-N 1 3 310.485 4.379 20 0 DIADHO CC[C@@H](NC1CC[NH+](CC2CC2)CC1)c1cccc(C)c1C ZINC001168368282 1048872375 /nfs/dbraw/zinc/87/23/75/1048872375.db2.gz FUSQOHMUQWXFFH-HXUWFJFHSA-N 1 3 300.490 4.219 20 0 DIADHO Cc1cc(C)c([C@H](C)N(C)CC[C@H]2CCCC[N@@H+]2C)c(C)c1 ZINC001191255185 1048897458 /nfs/dbraw/zinc/89/74/58/1048897458.db2.gz CECIOLBAVLARTH-RBUKOAKNSA-N 1 3 302.506 4.479 20 0 DIADHO Cc1cc(C)c([C@H](C)N(C)CC[C@H]2CCCC[N@H+]2C)c(C)c1 ZINC001191255185 1048897474 /nfs/dbraw/zinc/89/74/74/1048897474.db2.gz CECIOLBAVLARTH-RBUKOAKNSA-N 1 3 302.506 4.479 20 0 DIADHO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCN(CC)CC ZINC001191233224 1048904952 /nfs/dbraw/zinc/90/49/52/1048904952.db2.gz LRKIUKXCBYOVSI-VQTJNVASSA-N 1 3 302.506 4.377 20 0 DIADHO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCN(CC)CC ZINC001191233224 1048904963 /nfs/dbraw/zinc/90/49/63/1048904963.db2.gz LRKIUKXCBYOVSI-VQTJNVASSA-N 1 3 302.506 4.377 20 0 DIADHO C[C@@H]1CC[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C[C@@H]1C ZINC001177581652 1048919691 /nfs/dbraw/zinc/91/96/91/1048919691.db2.gz NVFLNNKYQWSKID-UWVAXJGDSA-N 1 3 306.538 4.445 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000484497386 1048963368 /nfs/dbraw/zinc/96/33/68/1048963368.db2.gz ZWBCTXMSDXDZAH-APHBMKBZSA-N 1 3 314.395 4.229 20 0 DIADHO c1ccc(CN2C[C@H]3CCC[C@@H]([NH2+]C[C@H]4CC=CCC4)[C@@H]3C2)cc1 ZINC001178285409 1049011268 /nfs/dbraw/zinc/01/12/68/1049011268.db2.gz QELSUCHLRVGEFG-BDKRGJGYSA-N 1 3 324.512 4.233 20 0 DIADHO C1CC1([NH2+]C1CCN(C2CCCCC2)CC1)C1CCCCC1 ZINC001203988176 1049052281 /nfs/dbraw/zinc/05/22/81/1049052281.db2.gz YUFMFMKMLUGNII-UHFFFAOYSA-N 1 3 304.522 4.486 20 0 DIADHO CC(C)c1cccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC001192324791 1049077965 /nfs/dbraw/zinc/07/79/65/1049077965.db2.gz LURIUJXBCNIBIK-FPOVZHCZSA-N 1 3 312.501 4.259 20 0 DIADHO CC(C)c1cccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC001192324791 1049077982 /nfs/dbraw/zinc/07/79/82/1049077982.db2.gz LURIUJXBCNIBIK-FPOVZHCZSA-N 1 3 312.501 4.259 20 0 DIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)C2(C)CC2)ccc1OC ZINC000776882291 1049088798 /nfs/dbraw/zinc/08/87/98/1049088798.db2.gz QREKEYZSIMKLLF-CVEARBPZSA-N 1 3 318.505 4.376 20 0 DIADHO c1cc(CN2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)co1 ZINC001204244578 1049120931 /nfs/dbraw/zinc/12/09/31/1049120931.db2.gz LRYKWIBVQVWSJQ-UHFFFAOYSA-N 1 3 324.468 4.158 20 0 DIADHO CC[NH+](CC)CCCN1CC[C@H](Cc2ccc(C(C)C)cc2)C1 ZINC001193068249 1049170876 /nfs/dbraw/zinc/17/08/76/1049170876.db2.gz JHFFPQNFYYGNOT-HXUWFJFHSA-N 1 3 316.533 4.406 20 0 DIADHO CCN(CC)CCC[N@@H+]1CC[C@H](Cc2ccc(C(C)C)cc2)C1 ZINC001193068249 1049170881 /nfs/dbraw/zinc/17/08/81/1049170881.db2.gz JHFFPQNFYYGNOT-HXUWFJFHSA-N 1 3 316.533 4.406 20 0 DIADHO CCN(CC)CCC[N@H+]1CC[C@H](Cc2ccc(C(C)C)cc2)C1 ZINC001193068249 1049170888 /nfs/dbraw/zinc/17/08/88/1049170888.db2.gz JHFFPQNFYYGNOT-HXUWFJFHSA-N 1 3 316.533 4.406 20 0 DIADHO c1nc2c(s1)CCC[C@@H]2NCCCCCCC[NH+]1CCCC1 ZINC000858362004 1049246908 /nfs/dbraw/zinc/24/69/08/1049246908.db2.gz KPYICJVQWPDQHJ-INIZCTEOSA-N 1 3 321.534 4.156 20 0 DIADHO COc1c(C)cc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1Cl ZINC000858491099 1049264128 /nfs/dbraw/zinc/26/41/28/1049264128.db2.gz YCOPIGDDKHYMMA-GJZGRUSLSA-N 1 3 324.896 4.040 20 0 DIADHO COc1c(C)cc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1Cl ZINC000858491098 1049265042 /nfs/dbraw/zinc/26/50/42/1049265042.db2.gz YCOPIGDDKHYMMA-CABCVRRESA-N 1 3 324.896 4.040 20 0 DIADHO [NH3+]Cc1cccc(CN2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC001204870476 1049291685 /nfs/dbraw/zinc/29/16/85/1049291685.db2.gz WCKLKRKMLWMFDM-UHFFFAOYSA-N 1 3 312.844 4.088 20 0 DIADHO CCn1c2ccccc2c2cc(CN3CCC[C@@H]([NH3+])CC3)ccc21 ZINC001205109468 1049379605 /nfs/dbraw/zinc/37/96/05/1049379605.db2.gz GROODRQMWLSOGU-QGZVFWFLSA-N 1 3 321.468 4.128 20 0 DIADHO [NH3+][C@H]1CCCN(Cc2ccc3sc4ccccc4c3c2)CC1 ZINC001205124125 1049385542 /nfs/dbraw/zinc/38/55/42/1049385542.db2.gz KNHQDPMWWDYVGR-HNNXBMFYSA-N 1 3 310.466 4.368 20 0 DIADHO C[C@H]1CCC[C@H](CCN2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC001194524655 1049385832 /nfs/dbraw/zinc/38/58/32/1049385832.db2.gz BULORIJFVDEYRQ-RBUKOAKNSA-N 1 3 314.517 4.457 20 0 DIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C2(C3CC3)CC2)ccc1OC ZINC000777145835 1049400209 /nfs/dbraw/zinc/40/02/09/1049400209.db2.gz IZVYIBMQECXVLE-HNNXBMFYSA-N 1 3 316.489 4.130 20 0 DIADHO CC(C)CC[NH+]1CCC(N[C@]2(C)CCCc3ccccc32)CC1 ZINC001180780582 1049407279 /nfs/dbraw/zinc/40/72/79/1049407279.db2.gz VALSNDHNALRBHT-OAQYLSRUSA-N 1 3 314.517 4.338 20 0 DIADHO CCc1cccc2cc(CN3CCCC34CC[NH+](C)CC4)oc21 ZINC001180885793 1049409982 /nfs/dbraw/zinc/40/99/82/1049409982.db2.gz UXKYJCKYOQVQCN-UHFFFAOYSA-N 1 3 312.457 4.055 20 0 DIADHO CCc1cccc2cc(C[N@@H+]3CCCC34CCN(C)CC4)oc21 ZINC001180885793 1049409986 /nfs/dbraw/zinc/40/99/86/1049409986.db2.gz UXKYJCKYOQVQCN-UHFFFAOYSA-N 1 3 312.457 4.055 20 0 DIADHO CCc1cccc2cc(C[N@H+]3CCCC34CCN(C)CC4)oc21 ZINC001180885793 1049409989 /nfs/dbraw/zinc/40/99/89/1049409989.db2.gz UXKYJCKYOQVQCN-UHFFFAOYSA-N 1 3 312.457 4.055 20 0 DIADHO Cc1csc2sc(CN3CCC[C@](C)([NH3+])CC3)c(C)c12 ZINC001205281309 1049426600 /nfs/dbraw/zinc/42/66/00/1049426600.db2.gz SCMHHSFVCUJBOS-INIZCTEOSA-N 1 3 308.516 4.283 20 0 DIADHO CCC[C@H](Cc1ccccc1)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC001205391597 1049458549 /nfs/dbraw/zinc/45/85/49/1049458549.db2.gz PRGQOULTAUBTFM-UYAOXDASSA-N 1 3 302.506 4.252 20 0 DIADHO C[C@H](C[NH2+]CC(C)(C)CN1CCCC1)c1cccc(Cl)c1 ZINC001181426792 1049473783 /nfs/dbraw/zinc/47/37/83/1049473783.db2.gz DLWCUBLWJQEWFR-OAHLLOKOSA-N 1 3 308.897 4.155 20 0 DIADHO C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1ccc2oc3ccccc3c2c1 ZINC001205902197 1049596784 /nfs/dbraw/zinc/59/67/84/1049596784.db2.gz IOSDFYXSEOZCBZ-GDBMZVCRSA-N 1 3 308.425 4.145 20 0 DIADHO C[C@H]1[C@H](C[NH3+])CCCN1Cc1ccc2oc3ccccc3c2c1 ZINC001205902199 1049597201 /nfs/dbraw/zinc/59/72/01/1049597201.db2.gz IOSDFYXSEOZCBZ-HOCLYGCPSA-N 1 3 308.425 4.145 20 0 DIADHO CC[NH+](CC)CC1CCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000488406778 1049646197 /nfs/dbraw/zinc/64/61/97/1049646197.db2.gz NOCBERACUUOMGI-HNNXBMFYSA-N 1 3 308.897 4.455 20 0 DIADHO CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CS1 ZINC000488453577 1049658272 /nfs/dbraw/zinc/65/82/72/1049658272.db2.gz WTCFBEOMXFTERR-FUHWJXTLSA-N 1 3 324.578 4.293 20 0 DIADHO CC(C)(C)[C@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)CS1 ZINC000488453577 1049658275 /nfs/dbraw/zinc/65/82/75/1049658275.db2.gz WTCFBEOMXFTERR-FUHWJXTLSA-N 1 3 324.578 4.293 20 0 DIADHO C[C@H]([NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000488584474 1049681339 /nfs/dbraw/zinc/68/13/39/1049681339.db2.gz RNGLALDLDGCGFS-OVWQWFNUSA-N 1 3 324.578 4.149 20 0 DIADHO Cc1ccc(CN2CCC[C@@](C)(C[NH3+])CC2)c(Cl)c1Cl ZINC001206318556 1049709246 /nfs/dbraw/zinc/70/92/46/1049709246.db2.gz REGYPDQQNQXZNX-MRXNPFEDSA-N 1 3 315.288 4.253 20 0 DIADHO Cc1cc(Cl)c(CN2CCC[C@](C)(C[NH3+])CC2)c(Cl)c1 ZINC001206324437 1049711726 /nfs/dbraw/zinc/71/17/26/1049711726.db2.gz BHXCVMQJZHEALX-INIZCTEOSA-N 1 3 315.288 4.253 20 0 DIADHO COc1cc(C)c(CN2CCCC[C@](C)(C[NH3+])C2)cc1C(C)C ZINC001206563909 1049757880 /nfs/dbraw/zinc/75/78/80/1049757880.db2.gz KGOMZELWSKXIPH-HXUWFJFHSA-N 1 3 318.505 4.078 20 0 DIADHO Cc1cnc(-c2ccccc2)c(CN2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206572939 1049758876 /nfs/dbraw/zinc/75/88/76/1049758876.db2.gz IJUBOVIXXMCHIJ-OAQYLSRUSA-N 1 3 323.484 4.008 20 0 DIADHO C[C@]1(C[NH3+])CCCCN(Cc2cc(-c3ccsc3)cs2)C1 ZINC001206573153 1049759159 /nfs/dbraw/zinc/75/91/59/1049759159.db2.gz IUTVPQOLTCXDOL-QGZVFWFLSA-N 1 3 320.527 4.428 20 0 DIADHO CC(C)N(Cc1ccc(F)c(C2CC2)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206597409 1049766051 /nfs/dbraw/zinc/76/60/51/1049766051.db2.gz CCBVHYAFUUIMJZ-QGZVFWFLSA-N 1 3 304.453 4.056 20 0 DIADHO CC(C)c1ccc(C[C@H](C)C[N@@H+]2CCCC[C@H](CN)C2)cc1 ZINC001206606118 1049769141 /nfs/dbraw/zinc/76/91/41/1049769141.db2.gz DSEWDWJHVJEPAV-PKOBYXMFSA-N 1 3 302.506 4.049 20 0 DIADHO CC(C)c1ccc(C[C@H](C)C[N@H+]2CCCC[C@H](CN)C2)cc1 ZINC001206606118 1049769148 /nfs/dbraw/zinc/76/91/48/1049769148.db2.gz DSEWDWJHVJEPAV-PKOBYXMFSA-N 1 3 302.506 4.049 20 0 DIADHO [NH3+]C[C@@H]1CCCCN(Cc2ccc(-c3cccs3)s2)C1 ZINC001206615487 1049769894 /nfs/dbraw/zinc/76/98/94/1049769894.db2.gz FVWIJCGTEXMXFG-ZDUSSCGKSA-N 1 3 306.500 4.037 20 0 DIADHO [NH3+]C[C@H]1CCCCN(Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC001206616051 1049770381 /nfs/dbraw/zinc/77/03/81/1049770381.db2.gz MNBNKCBGEUTDMX-CQSZACIVSA-N 1 3 318.848 4.161 20 0 DIADHO CC[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(F)cn1 ZINC000490152906 1049803293 /nfs/dbraw/zinc/80/32/93/1049803293.db2.gz YURWWNJMEJAYPR-JZXOWHBKSA-N 1 3 321.484 4.020 20 0 DIADHO CC[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(F)cn1 ZINC000490152906 1049803303 /nfs/dbraw/zinc/80/33/03/1049803303.db2.gz YURWWNJMEJAYPR-JZXOWHBKSA-N 1 3 321.484 4.020 20 0 DIADHO C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1ccc(C2CCCCC2)cc1 ZINC001206807220 1049804898 /nfs/dbraw/zinc/80/48/98/1049804898.db2.gz HTSIFBYPYNWKEK-AEFFLSMTSA-N 1 3 300.490 4.294 20 0 DIADHO CCN(Cc1ccc(Cl)cc1Cl)CC1CC[NH+](C)CC1 ZINC001207402024 1049887345 /nfs/dbraw/zinc/88/73/45/1049887345.db2.gz UPJVKIVXEIKVBU-UHFFFAOYSA-N 1 3 315.288 4.157 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CC1(c2ccccc2)CC1 ZINC001207839682 1049943301 /nfs/dbraw/zinc/94/33/01/1049943301.db2.gz TWQWWBOTPROXFP-PMACEKPBSA-N 1 3 312.501 4.057 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CC1(c2ccccc2)CC1 ZINC001207839682 1049943309 /nfs/dbraw/zinc/94/33/09/1049943309.db2.gz TWQWWBOTPROXFP-PMACEKPBSA-N 1 3 312.501 4.057 20 0 DIADHO C[C@H](C[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C)c1ccccc1 ZINC001207912070 1049954736 /nfs/dbraw/zinc/95/47/36/1049954736.db2.gz NDRPOGLQHIKLSE-HOJAQTOUSA-N 1 3 300.490 4.129 20 0 DIADHO C[C@H](C[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C)c1ccccc1 ZINC001207912070 1049954739 /nfs/dbraw/zinc/95/47/39/1049954739.db2.gz NDRPOGLQHIKLSE-HOJAQTOUSA-N 1 3 300.490 4.129 20 0 DIADHO CCN(C)C1CC[NH+](C[C@@H](C)Cc2ccc(C(C)C)cc2)CC1 ZINC001207936454 1049958259 /nfs/dbraw/zinc/95/82/59/1049958259.db2.gz GXCWUQSXXWKCRU-SFHVURJKSA-N 1 3 316.533 4.405 20 0 DIADHO CCN(C)C1CC[NH+](CC[C@H](C)CCCC(C)(C)OC)CC1 ZINC001208214601 1049986337 /nfs/dbraw/zinc/98/63/37/1049986337.db2.gz UYJIVCURSXEGDK-QGZVFWFLSA-N 1 3 312.542 4.024 20 0 DIADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000572111803 1049994793 /nfs/dbraw/zinc/99/47/93/1049994793.db2.gz UHQVCDNRHIQWEF-UONOGXRCSA-N 1 3 309.457 4.138 20 0 DIADHO C[N@H+](Cc1ccccc1)C1CCN(CCC2CCCC2)CC1 ZINC001208695385 1050003210 /nfs/dbraw/zinc/00/32/10/1050003210.db2.gz PBCDUUTYVWIPHD-UHFFFAOYSA-N 1 3 300.490 4.163 20 0 DIADHO C[N@@H+](Cc1ccccc1)C1CCN(CCC2CCCC2)CC1 ZINC001208695385 1050003214 /nfs/dbraw/zinc/00/32/14/1050003214.db2.gz PBCDUUTYVWIPHD-UHFFFAOYSA-N 1 3 300.490 4.163 20 0 DIADHO CN(C1CC1)C1CC[NH+](CC2(c3ccccc3)CCCC2)CC1 ZINC001208776568 1050009865 /nfs/dbraw/zinc/00/98/65/1050009865.db2.gz BGHMWMWFKFFFAO-UHFFFAOYSA-N 1 3 312.501 4.057 20 0 DIADHO Cc1cccc(CN(C)C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001208934331 1050024045 /nfs/dbraw/zinc/02/40/45/1050024045.db2.gz ZXXHDFYLJWRBAF-JOCHJYFZSA-N 1 3 322.496 4.339 20 0 DIADHO Cc1cccc(CN(C)C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001208934331 1050024051 /nfs/dbraw/zinc/02/40/51/1050024051.db2.gz ZXXHDFYLJWRBAF-JOCHJYFZSA-N 1 3 322.496 4.339 20 0 DIADHO CCN(Cc1ccccc1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208929848 1050024650 /nfs/dbraw/zinc/02/46/50/1050024650.db2.gz VLKNGMQETVLFFG-JOCHJYFZSA-N 1 3 322.496 4.421 20 0 DIADHO CCN(Cc1ccccc1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208929848 1050024655 /nfs/dbraw/zinc/02/46/55/1050024655.db2.gz VLKNGMQETVLFFG-JOCHJYFZSA-N 1 3 322.496 4.421 20 0 DIADHO C[NH+](C)CC1CCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000590125906 1050078439 /nfs/dbraw/zinc/07/84/39/1050078439.db2.gz RTEZITSFNRRHAQ-UHFFFAOYSA-N 1 3 322.905 4.328 20 0 DIADHO CC[NH+](CC)Cc1ccc(Nc2ccccc2CN(C)C)cc1 ZINC001209824585 1050090003 /nfs/dbraw/zinc/09/00/03/1050090003.db2.gz NYKBRVYDJYSJAM-UHFFFAOYSA-N 1 3 311.473 4.334 20 0 DIADHO Cc1nc2ccc(Nc3ccc(C[NH+]4CCCC4)cc3)cc2[nH]1 ZINC001213074266 1050576452 /nfs/dbraw/zinc/57/64/52/1050576452.db2.gz MGCBILAUZJIBQH-UHFFFAOYSA-N 1 3 306.413 4.211 20 0 DIADHO Cc1nc2ccc(Nc3cccc4c3OCC[C@H]4[NH+](C)C)cc2[nH]1 ZINC001213076483 1050581562 /nfs/dbraw/zinc/58/15/62/1050581562.db2.gz UCXVQDUOPSBYLU-GOSISDBHSA-N 1 3 322.412 4.000 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC001144718627 1050668570 /nfs/dbraw/zinc/66/85/70/1050668570.db2.gz UFRWLYAOHGYGDZ-RBUKOAKNSA-N 1 3 311.473 4.007 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc2cc[nH]c21 ZINC001144718627 1050668573 /nfs/dbraw/zinc/66/85/73/1050668573.db2.gz UFRWLYAOHGYGDZ-RBUKOAKNSA-N 1 3 311.473 4.007 20 0 DIADHO CN1C(C)(C)CC([NH2+]CC(C)(C)CC(F)(F)F)CC1(C)C ZINC001171630524 1051175448 /nfs/dbraw/zinc/17/54/48/1051175448.db2.gz QCXYZVBBTJPNAX-UHFFFAOYSA-N 1 3 308.432 4.206 20 0 DIADHO C[C@@H](Cc1ccccc1Cl)[NH2+]CCCN1CCCC[C@@H]1C ZINC001170250187 1051171606 /nfs/dbraw/zinc/17/16/06/1051171606.db2.gz HDONSUKWHNXTLB-HOTGVXAUSA-N 1 3 308.897 4.125 20 0 DIADHO C[NH+]1C(C)(C)CC(N[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1(C)C ZINC001171628584 1051172118 /nfs/dbraw/zinc/17/21/18/1051172118.db2.gz BPBIRECOCFTMQJ-IRXDYDNUSA-N 1 3 320.908 4.437 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@H]2C[C@H]2c2ccc(Cl)cc2)CC1(C)C ZINC001171628584 1051172128 /nfs/dbraw/zinc/17/21/28/1051172128.db2.gz BPBIRECOCFTMQJ-IRXDYDNUSA-N 1 3 320.908 4.437 20 0 DIADHO CN1C(C)(C)CC([NH2+]C[C@@H]2CCCc3ccccc32)CC1(C)C ZINC001171630281 1051175197 /nfs/dbraw/zinc/17/51/97/1051175197.db2.gz LAQYNFJMMJJYNI-KRWDZBQOSA-N 1 3 314.517 4.348 20 0 DIADHO CCc1ccc(CC[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)cc1 ZINC001171618703 1051177796 /nfs/dbraw/zinc/17/77/96/1051177796.db2.gz AJIWZLDORQBONU-UHFFFAOYSA-N 1 3 302.506 4.033 20 0 DIADHO C[NH+]1C(C)(C)CC(NCCc2coc3ccccc23)CC1(C)C ZINC001171622858 1051179824 /nfs/dbraw/zinc/17/98/24/1051179824.db2.gz AETMVPMCVDNNIH-UHFFFAOYSA-N 1 3 314.473 4.216 20 0 DIADHO Cc1cccc(C(C)(C)[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)c1 ZINC001171627565 1051182011 /nfs/dbraw/zinc/18/20/11/1051182011.db2.gz WTHPLUAGJYBLKF-UHFFFAOYSA-N 1 3 302.506 4.471 20 0 DIADHO CN1C(C)(C)CC([NH2+]CCC2CCC(F)(F)CC2)CC1(C)C ZINC001171626067 1051182104 /nfs/dbraw/zinc/18/21/04/1051182104.db2.gz UZNLZKUEOSUJHI-UHFFFAOYSA-N 1 3 316.480 4.443 20 0 DIADHO Cc1ccc(CC[C@H](C)N2CCC([NH3+])(c3ccccc3)CC2)cc1 ZINC001171665518 1051187186 /nfs/dbraw/zinc/18/71/86/1051187186.db2.gz HJJVLHKQYZQSDA-IBGZPJMESA-N 1 3 322.496 4.266 20 0 DIADHO CN1C(C)(C)CC([N@@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1(C)C ZINC001171639971 1051193987 /nfs/dbraw/zinc/19/39/87/1051193987.db2.gz XFMGJNRTGKEIRR-INIZCTEOSA-N 1 3 318.480 4.266 20 0 DIADHO CN1C(C)(C)CC([N@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1(C)C ZINC001171639971 1051194000 /nfs/dbraw/zinc/19/40/00/1051194000.db2.gz XFMGJNRTGKEIRR-INIZCTEOSA-N 1 3 318.480 4.266 20 0 DIADHO CN1C(C)(C)CC([N@H+](C)CCCc2ccccc2)CC1(C)C ZINC001171636544 1051194714 /nfs/dbraw/zinc/19/47/14/1051194714.db2.gz HYZWYDXYAWFXDQ-UHFFFAOYSA-N 1 3 302.506 4.202 20 0 DIADHO CN1C(C)(C)CC([N@@H+](C)CCCc2ccccc2)CC1(C)C ZINC001171636544 1051194718 /nfs/dbraw/zinc/19/47/18/1051194718.db2.gz HYZWYDXYAWFXDQ-UHFFFAOYSA-N 1 3 302.506 4.202 20 0 DIADHO Cc1ccc([C@H]2CCCN2C2CC(C)(C)[NH+](C)C(C)(C)C2)cn1 ZINC001171643066 1051197704 /nfs/dbraw/zinc/19/77/04/1051197704.db2.gz RIDZJYDTZVZKGZ-GOSISDBHSA-N 1 3 315.505 4.178 20 0 DIADHO CC[N@H+](Cc1ccc(C)cc1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171641163 1051197807 /nfs/dbraw/zinc/19/78/07/1051197807.db2.gz NFRWTBSWHPVZRB-UHFFFAOYSA-N 1 3 302.506 4.468 20 0 DIADHO CC[N@@H+](Cc1ccc(C)cc1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171641163 1051197812 /nfs/dbraw/zinc/19/78/12/1051197812.db2.gz NFRWTBSWHPVZRB-UHFFFAOYSA-N 1 3 302.506 4.468 20 0 DIADHO CCN(Cc1ccc(C)cc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641163 1051197816 /nfs/dbraw/zinc/19/78/16/1051197816.db2.gz NFRWTBSWHPVZRB-UHFFFAOYSA-N 1 3 302.506 4.468 20 0 DIADHO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC001171969190 1051258755 /nfs/dbraw/zinc/25/87/55/1051258755.db2.gz UIIOALPZTOHBLB-IEBWSBKVSA-N 1 3 323.484 4.175 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCSc1ccc(Cl)cc1)C2 ZINC001172100249 1051286325 /nfs/dbraw/zinc/28/63/25/1051286325.db2.gz CAFVEFFMFILZKW-PHZGNYQRSA-N 1 3 324.921 4.037 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCSc1ccc(Cl)cc1)C2 ZINC001172100249 1051286337 /nfs/dbraw/zinc/28/63/37/1051286337.db2.gz CAFVEFFMFILZKW-PHZGNYQRSA-N 1 3 324.921 4.037 20 0 DIADHO CN(Cc1ccc2ccccc2c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127687 1051290129 /nfs/dbraw/zinc/29/01/29/1051290129.db2.gz JJMPXOSERSOITO-WKCHPHFGSA-N 1 3 308.469 4.287 20 0 DIADHO CN(Cc1ccc2ccccc2c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127687 1051290145 /nfs/dbraw/zinc/29/01/45/1051290145.db2.gz JJMPXOSERSOITO-WKCHPHFGSA-N 1 3 308.469 4.287 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](c1cccc(F)c1)C1CCC1)C2 ZINC001172112455 1051299940 /nfs/dbraw/zinc/29/99/40/1051299940.db2.gz XCUDCSBLPPZMEG-IYWMVGAKSA-N 1 3 316.464 4.272 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](c1cccc(F)c1)C1CCC1)C2 ZINC001172112455 1051299952 /nfs/dbraw/zinc/29/99/52/1051299952.db2.gz XCUDCSBLPPZMEG-IYWMVGAKSA-N 1 3 316.464 4.272 20 0 DIADHO CSc1ccc([C@H](C)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172110647 1051301506 /nfs/dbraw/zinc/30/15/06/1051301506.db2.gz PQVKARYYJVRJDL-QSPRXWTASA-N 1 3 304.503 4.074 20 0 DIADHO CSc1ccc([C@H](C)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172110647 1051301516 /nfs/dbraw/zinc/30/15/16/1051301516.db2.gz PQVKARYYJVRJDL-QSPRXWTASA-N 1 3 304.503 4.074 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(C)(C)c1cccc(Cl)c1)C2 ZINC001172117569 1051305121 /nfs/dbraw/zinc/30/51/21/1051305121.db2.gz MPQRZTJLTXOKMN-BJWYYQGGSA-N 1 3 306.881 4.180 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(C)(C)c1cccc(Cl)c1)C2 ZINC001172117569 1051305128 /nfs/dbraw/zinc/30/51/28/1051305128.db2.gz MPQRZTJLTXOKMN-BJWYYQGGSA-N 1 3 306.881 4.180 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCC[C@H]1c1ccccc1F)C2 ZINC001172121781 1051306074 /nfs/dbraw/zinc/30/60/74/1051306074.db2.gz MLIBZZVJJLZRRQ-CLWJZODNSA-N 1 3 316.464 4.368 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCC[C@H]1c1ccccc1F)C2 ZINC001172121781 1051306078 /nfs/dbraw/zinc/30/60/78/1051306078.db2.gz MLIBZZVJJLZRRQ-CLWJZODNSA-N 1 3 316.464 4.368 20 0 DIADHO CC(C)C[NH2+]Cc1ccc(Nc2ccccc2CN(C)C)cc1 ZINC001215746735 1051340981 /nfs/dbraw/zinc/34/09/81/1051340981.db2.gz PKFSUUPERZOIST-UHFFFAOYSA-N 1 3 311.473 4.237 20 0 DIADHO CCCCCC[C@H](CCC)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001172386381 1051391103 /nfs/dbraw/zinc/39/11/03/1051391103.db2.gz DZAXPDBAYMNIJF-UFYCRDLUSA-N 1 3 324.553 4.359 20 0 DIADHO CC[C@@H](CC(C)C)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001172400470 1051397707 /nfs/dbraw/zinc/39/77/07/1051397707.db2.gz GDOSODVHAVWWSA-FQEVSTJZSA-N 1 3 314.517 4.409 20 0 DIADHO C[C@@H](c1ccc(C(C)(C)C)cc1)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001170451063 1051412636 /nfs/dbraw/zinc/41/26/36/1051412636.db2.gz GYGPSIMOOSIHQT-LAUBAEHRSA-N 1 3 314.517 4.463 20 0 DIADHO C[C@@H](c1ccc(C(C)(C)C)cc1)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001170451063 1051412642 /nfs/dbraw/zinc/41/26/42/1051412642.db2.gz GYGPSIMOOSIHQT-LAUBAEHRSA-N 1 3 314.517 4.463 20 0 DIADHO CN(C1CC1)C1CC[NH+]([C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172549515 1051432976 /nfs/dbraw/zinc/43/29/76/1051432976.db2.gz PPZPQOZJMDWHFA-WIYYLYMNSA-N 1 3 312.501 4.271 20 0 DIADHO C[N@H+](C1CC1)C1CCN([C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172549515 1051432986 /nfs/dbraw/zinc/43/29/86/1051432986.db2.gz PPZPQOZJMDWHFA-WIYYLYMNSA-N 1 3 312.501 4.271 20 0 DIADHO C[N@@H+](C1CC1)C1CCN([C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172549515 1051432991 /nfs/dbraw/zinc/43/29/91/1051432991.db2.gz PPZPQOZJMDWHFA-WIYYLYMNSA-N 1 3 312.501 4.271 20 0 DIADHO c1ccc([C@@H]2CCC[C@@H]([NH+]3CC4(C3)CCN(CC3CC3)C4)C2)cc1 ZINC001172539884 1051453424 /nfs/dbraw/zinc/45/34/24/1051453424.db2.gz DYFJSDUGGDXDRO-NHCUHLMSSA-N 1 3 324.512 4.131 20 0 DIADHO C[C@H](NC1CCC([NH+]2CCCCC2)CC1)c1cccnc1Cl ZINC000766511356 1051454923 /nfs/dbraw/zinc/45/49/23/1051454923.db2.gz CZQUTJZQURVANO-FHERZECASA-N 1 3 321.896 4.183 20 0 DIADHO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC001169062249 1051502313 /nfs/dbraw/zinc/50/23/13/1051502313.db2.gz ROZZWUKEQZABMG-XUVXKRRUSA-N 1 3 302.506 4.106 20 0 DIADHO CC(C)C[C@@H](Cc1ccccc1)[NH+]1CCC(N2CCCC2)CC1 ZINC001169069570 1051507246 /nfs/dbraw/zinc/50/72/46/1051507246.db2.gz HZSBCXRUIFUDMC-NRFANRHFSA-N 1 3 314.517 4.204 20 0 DIADHO CC(C)C[C@@H](Cc1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC001169069570 1051507257 /nfs/dbraw/zinc/50/72/57/1051507257.db2.gz HZSBCXRUIFUDMC-NRFANRHFSA-N 1 3 314.517 4.204 20 0 DIADHO CC(C)C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC001169099577 1051509013 /nfs/dbraw/zinc/50/90/13/1051509013.db2.gz BTENAESUJNSTES-RDGPPVDQSA-N 1 3 304.453 4.128 20 0 DIADHO CC(C)C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001169099577 1051509019 /nfs/dbraw/zinc/50/90/19/1051509019.db2.gz BTENAESUJNSTES-RDGPPVDQSA-N 1 3 304.453 4.128 20 0 DIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCc1ccccc1-c1ccc(F)cc1)C2 ZINC001169092237 1051518703 /nfs/dbraw/zinc/51/87/03/1051518703.db2.gz ANZIKCCKEGIZHN-OWZKRDHZSA-N 1 3 324.443 4.208 20 0 DIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCc1ccccc1-c1ccc(F)cc1)C2 ZINC001169092237 1051518720 /nfs/dbraw/zinc/51/87/20/1051518720.db2.gz ANZIKCCKEGIZHN-OWZKRDHZSA-N 1 3 324.443 4.208 20 0 DIADHO CCC(CC)N1CCC([NH2+][C@@H]2CCc3ccc(C)cc3C2)CC1 ZINC001172827687 1051519167 /nfs/dbraw/zinc/51/91/67/1051519167.db2.gz DRKMMWKGYXHKLF-HXUWFJFHSA-N 1 3 314.517 4.095 20 0 DIADHO CN(C(c1ccccc1)c1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125837 1051523176 /nfs/dbraw/zinc/52/31/76/1051523176.db2.gz MKDSXQLSFIGGMZ-AERCQKQUSA-N 1 3 320.480 4.333 20 0 DIADHO CN(C(c1ccccc1)c1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125837 1051523188 /nfs/dbraw/zinc/52/31/88/1051523188.db2.gz MKDSXQLSFIGGMZ-AERCQKQUSA-N 1 3 320.480 4.333 20 0 DIADHO CC[NH+]1CCC(NCc2ccccc2-c2ccc(F)cc2)CC1 ZINC001169222058 1051556125 /nfs/dbraw/zinc/55/61/25/1051556125.db2.gz YGTVRDPOKOITNM-UHFFFAOYSA-N 1 3 312.432 4.067 20 0 DIADHO CC[NH+]1CCC(NC(C)(C)c2ccccc2C(F)(F)F)CC1 ZINC001169237960 1051560841 /nfs/dbraw/zinc/56/08/41/1051560841.db2.gz DHIJTTGWOVPRPW-UHFFFAOYSA-N 1 3 314.395 4.014 20 0 DIADHO CC[NH+]1CCC(NCc2cccc(-c3ccc(F)cc3)c2)CC1 ZINC001169241352 1051562212 /nfs/dbraw/zinc/56/22/12/1051562212.db2.gz VYTVTQDHLCZZID-UHFFFAOYSA-N 1 3 312.432 4.067 20 0 DIADHO CC[C@@H]1CC[C@@H](N2CCC([NH3+])(c3ccc(Cl)cc3)CC2)C1 ZINC001173273447 1051670558 /nfs/dbraw/zinc/67/05/58/1051670558.db2.gz ZSCOKFYJYJZAOV-RHSMWYFYSA-N 1 3 306.881 4.169 20 0 DIADHO CCc1ccc(C[C@H](C)[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)cc1 ZINC001173236764 1051670744 /nfs/dbraw/zinc/67/07/44/1051670744.db2.gz AJWSEKHUSZBCOY-INIZCTEOSA-N 1 3 316.533 4.421 20 0 DIADHO FC(F)c1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000183979145 1051724391 /nfs/dbraw/zinc/72/43/91/1051724391.db2.gz HGVLKBQTJFVDLT-AEFFLSMTSA-N 1 3 320.427 4.073 20 0 DIADHO FC(F)c1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000183979145 1051724405 /nfs/dbraw/zinc/72/44/05/1051724405.db2.gz HGVLKBQTJFVDLT-AEFFLSMTSA-N 1 3 320.427 4.073 20 0 DIADHO Cc1cscc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000494495251 1051905172 /nfs/dbraw/zinc/90/51/72/1051905172.db2.gz MVBVNIHJBOCKMS-BEFAXECRSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1cscc1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000494495251 1051905183 /nfs/dbraw/zinc/90/51/83/1051905183.db2.gz MVBVNIHJBOCKMS-BEFAXECRSA-N 1 3 314.498 4.057 20 0 DIADHO C[C@@H](c1cccc(F)c1)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768330725 1051918794 /nfs/dbraw/zinc/91/87/94/1051918794.db2.gz ZCGVRYHXKWJIOE-HNNXBMFYSA-N 1 3 300.421 4.080 20 0 DIADHO c1ccc(CN2CCC=C(Nc3cc[nH+]c(C4CC4)c3)C2)cc1 ZINC001174394311 1052115873 /nfs/dbraw/zinc/11/58/73/1052115873.db2.gz FSECPQRWDYCSJN-UHFFFAOYSA-N 1 3 305.425 4.161 20 0 DIADHO c1csc([C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C2CCCC2)c1 ZINC000250100780 1052219250 /nfs/dbraw/zinc/21/92/50/1052219250.db2.gz WTYITBALPAWYGJ-XYJFISCASA-N 1 3 304.503 4.196 20 0 DIADHO c1csc([C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C2CCCC2)c1 ZINC000250100780 1052219262 /nfs/dbraw/zinc/21/92/62/1052219262.db2.gz WTYITBALPAWYGJ-XYJFISCASA-N 1 3 304.503 4.196 20 0 DIADHO Fc1ccc(CN2CCCC3(CCCC[NH2+]C3)CCC2)cc1F ZINC001222109761 1052443621 /nfs/dbraw/zinc/44/36/21/1052443621.db2.gz PCIGWWSTFWKCCE-UHFFFAOYSA-N 1 3 322.443 4.101 20 0 DIADHO Fc1cccc(CN2CCCC3(CCCC[NH2+]C3)CCC2)c1F ZINC001222109467 1052443717 /nfs/dbraw/zinc/44/37/17/1052443717.db2.gz IGNUIMAVNUGZIH-UHFFFAOYSA-N 1 3 322.443 4.101 20 0 DIADHO Fc1ccccc1CCCN1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222153967 1052451960 /nfs/dbraw/zinc/45/19/60/1052451960.db2.gz DRKCISQOWGPMCR-FQEVSTJZSA-N 1 3 318.480 4.004 20 0 DIADHO Cc1c(CN2CC[C@@]3(C2)CCC[NH2+]C3)cccc1-c1ccccc1 ZINC001222154668 1052452823 /nfs/dbraw/zinc/45/28/23/1052452823.db2.gz PHFJIRPJXWJLRF-QFIPXVFZSA-N 1 3 320.480 4.238 20 0 DIADHO CC(C)c1cc(CN2CCC3(CC([NH3+])C3)CC2)ccc1Cl ZINC001222216019 1052463168 /nfs/dbraw/zinc/46/31/68/1052463168.db2.gz SWIVMYSJXOQLFO-UHFFFAOYSA-N 1 3 306.881 4.167 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001168498647 1052475386 /nfs/dbraw/zinc/47/53/86/1052475386.db2.gz URCAVKRXBBBFAU-VDGAXYAQSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001168498647 1052475390 /nfs/dbraw/zinc/47/53/90/1052475390.db2.gz URCAVKRXBBBFAU-VDGAXYAQSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)N1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001168498647 1052475394 /nfs/dbraw/zinc/47/53/94/1052475394.db2.gz URCAVKRXBBBFAU-VDGAXYAQSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)N1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001168498647 1052475396 /nfs/dbraw/zinc/47/53/96/1052475396.db2.gz URCAVKRXBBBFAU-VDGAXYAQSA-N 1 3 318.480 4.096 20 0 DIADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000037149837 1052605907 /nfs/dbraw/zinc/60/59/07/1052605907.db2.gz DZBBNQJQMYWGFG-ZDUSSCGKSA-N 1 3 312.860 4.394 20 0 DIADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(Cl)c(Cl)c1 ZINC000037644464 1052627956 /nfs/dbraw/zinc/62/79/56/1052627956.db2.gz ZBAXFELYDGROSV-BLLLJJGKSA-N 1 3 315.288 4.376 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCc3cc(F)ccc32)c1 ZINC000123882063 1052634923 /nfs/dbraw/zinc/63/49/23/1052634923.db2.gz XREGHSNMLIXBCV-FQEVSTJZSA-N 1 3 312.432 4.055 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCc3cc(F)ccc32)c1 ZINC000123882063 1052634924 /nfs/dbraw/zinc/63/49/24/1052634924.db2.gz XREGHSNMLIXBCV-FQEVSTJZSA-N 1 3 312.432 4.055 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@@H](C)C(c2ccccc2)c2ccccc2)C1 ZINC000124154432 1052637840 /nfs/dbraw/zinc/63/78/40/1052637840.db2.gz BPGPHKLBTWVOKX-RBUKOAKNSA-N 1 3 322.496 4.138 20 0 DIADHO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000125906174 1052656166 /nfs/dbraw/zinc/65/61/66/1052656166.db2.gz XXWWKGDVZVAVQQ-ZWKOTPCHSA-N 1 3 318.505 4.245 20 0 DIADHO CC(C)[NH+]1CCC(N[C@H](C)c2cc3c(s2)CCCC3)CC1 ZINC000129348414 1052784469 /nfs/dbraw/zinc/78/44/69/1052784469.db2.gz UXEQESHHRGLSNQ-CQSZACIVSA-N 1 3 306.519 4.150 20 0 DIADHO CSc1ccc([C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1F ZINC000089512983 1053205210 /nfs/dbraw/zinc/20/52/10/1053205210.db2.gz IULKNBQGNCPAKR-CYBMUJFWSA-N 1 3 324.509 4.461 20 0 DIADHO CSc1ccc([C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1F ZINC000089512982 1053206367 /nfs/dbraw/zinc/20/63/67/1053206367.db2.gz IULKNBQGNCPAKR-ZDUSSCGKSA-N 1 3 324.509 4.461 20 0 DIADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2cc3ccc(C)cc3o2)C1 ZINC001320867430 1053368024 /nfs/dbraw/zinc/36/80/24/1053368024.db2.gz VWFRUJPPQMXVJM-CVEARBPZSA-N 1 3 300.446 4.124 20 0 DIADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2cc3ccc(C)cc3o2)C1 ZINC001320867434 1053368740 /nfs/dbraw/zinc/36/87/40/1053368740.db2.gz VWFRUJPPQMXVJM-JKSUJKDBSA-N 1 3 300.446 4.124 20 0 DIADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccc(-c3ccccc3)o2)C1 ZINC001322631680 1053529113 /nfs/dbraw/zinc/52/91/13/1053529113.db2.gz BVGZMJTUJSTVKV-IAGOWNOFSA-N 1 3 312.457 4.329 20 0 DIADHO Cc1ccc(-c2ccc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)N4C)o2)cc1 ZINC000572564118 1053561118 /nfs/dbraw/zinc/56/11/18/1053561118.db2.gz YWXLPKJCCIIDLH-DFNIBXOVSA-N 1 3 324.468 4.312 20 0 DIADHO Cc1ccc(-c2ccc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)N4C)o2)cc1 ZINC000572564118 1053561133 /nfs/dbraw/zinc/56/11/33/1053561133.db2.gz YWXLPKJCCIIDLH-DFNIBXOVSA-N 1 3 324.468 4.312 20 0 DIADHO CCN(C[C@@H]1CCC[NH2+]C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000262535920 1053578022 /nfs/dbraw/zinc/57/80/22/1053578022.db2.gz QHVHGAUJFNASPZ-ZIAGYGMSSA-N 1 3 314.395 4.088 20 0 DIADHO Cc1ccc(C)c(CNCc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000620755243 1053729556 /nfs/dbraw/zinc/72/95/56/1053729556.db2.gz LRTYKKMIQLCVNK-UHFFFAOYSA-N 1 3 310.485 4.433 20 0 DIADHO Cc1ccc(C)c(CNCc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000620755243 1053729567 /nfs/dbraw/zinc/72/95/67/1053729567.db2.gz LRTYKKMIQLCVNK-UHFFFAOYSA-N 1 3 310.485 4.433 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc3cc(C)c(C)cc3o2)C1 ZINC000163233021 1053745513 /nfs/dbraw/zinc/74/55/13/1053745513.db2.gz UWVOPQVYSRBOKP-HOTGVXAUSA-N 1 3 300.446 4.042 20 0 DIADHO CC[NH+]1CCC(N(C)Cc2c(C)sc3ccccc32)CC1 ZINC001231644041 1053814857 /nfs/dbraw/zinc/81/48/57/1053814857.db2.gz OBASXVBBGDHDPA-UHFFFAOYSA-N 1 3 302.487 4.126 20 0 DIADHO CC(C)CC[C@@H]1CC[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001200671384 1053873165 /nfs/dbraw/zinc/87/31/65/1053873165.db2.gz AIAZJXDPUIUVHR-WCIQWLHISA-N 1 3 324.553 4.070 20 0 DIADHO CN(C)Cc1cc(F)cc(C[N@H+](C)[C@@H]2CCc3ccccc32)c1 ZINC001232151552 1053970504 /nfs/dbraw/zinc/97/05/04/1053970504.db2.gz OPSKPPDUDQLDNJ-HXUWFJFHSA-N 1 3 312.432 4.007 20 0 DIADHO CN(C)Cc1cc(F)cc(C[N@@H+](C)[C@@H]2CCc3ccccc32)c1 ZINC001232151552 1053970523 /nfs/dbraw/zinc/97/05/23/1053970523.db2.gz OPSKPPDUDQLDNJ-HXUWFJFHSA-N 1 3 312.432 4.007 20 0 DIADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC001333420925 1054154373 /nfs/dbraw/zinc/15/43/73/1054154373.db2.gz HJQMWGFWXUXQKH-QWHCGFSZSA-N 1 3 315.288 4.376 20 0 DIADHO Cc1cccc(-c2ccc(CN3CC4(C3)CC[NH+](C)CC4)cc2)c1 ZINC001233224785 1054210523 /nfs/dbraw/zinc/21/05/23/1054210523.db2.gz FWTLJHFBLYAALA-UHFFFAOYSA-N 1 3 320.480 4.190 20 0 DIADHO Cc1cc(C[N@@H+]2CCCC[C@H]2CCN2CCCC2)sc1C ZINC001233685969 1054333010 /nfs/dbraw/zinc/33/30/10/1054333010.db2.gz UKIOTGNKIFPMDA-KRWDZBQOSA-N 1 3 306.519 4.205 20 0 DIADHO Cc1cc(C[N@H+]2CCCC[C@H]2CCN2CCCC2)sc1C ZINC001233685969 1054333032 /nfs/dbraw/zinc/33/30/32/1054333032.db2.gz UKIOTGNKIFPMDA-KRWDZBQOSA-N 1 3 306.519 4.205 20 0 DIADHO CC[C@H](CNC(=[NH2+])Nc1ccc([C@@H](C)CC)cc1)N1CCCC1 ZINC000849060733 1054369071 /nfs/dbraw/zinc/36/90/71/1054369071.db2.gz NLFPDQKYCXFUSO-MAUKXSAKSA-N 1 3 316.493 4.011 20 0 DIADHO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c(C)o1 ZINC000336717431 1054442852 /nfs/dbraw/zinc/44/28/52/1054442852.db2.gz QLJMVAUBNWNIQV-APWZRJJASA-N 1 3 312.457 4.069 20 0 DIADHO Fc1ccc(-c2ccc(C[N@@H+]3CCCC34CCNCC4)cc2)cc1 ZINC001235141724 1054664827 /nfs/dbraw/zinc/66/48/27/1054664827.db2.gz WYTYAWKQMOOTGT-UHFFFAOYSA-N 1 3 324.443 4.211 20 0 DIADHO Fc1ccc(-c2ccc(C[N@H+]3CCCC34CCNCC4)cc2)cc1 ZINC001235141724 1054664832 /nfs/dbraw/zinc/66/48/32/1054664832.db2.gz WYTYAWKQMOOTGT-UHFFFAOYSA-N 1 3 324.443 4.211 20 0 DIADHO Cc1ccccc1-c1ccccc1C[N@@H+]1CCCC12CCNCC2 ZINC001235144482 1054665343 /nfs/dbraw/zinc/66/53/43/1054665343.db2.gz LVINRQDBDUWIJI-UHFFFAOYSA-N 1 3 320.480 4.380 20 0 DIADHO Cc1ccccc1-c1ccccc1C[N@H+]1CCCC12CCNCC2 ZINC001235144482 1054665346 /nfs/dbraw/zinc/66/53/46/1054665346.db2.gz LVINRQDBDUWIJI-UHFFFAOYSA-N 1 3 320.480 4.380 20 0 DIADHO c1cc(-c2cccc(C[N@@H+]3CCCC34CCNCC4)c2)cs1 ZINC001235145855 1054666840 /nfs/dbraw/zinc/66/68/40/1054666840.db2.gz WUAGZEWQDZFIAS-UHFFFAOYSA-N 1 3 312.482 4.133 20 0 DIADHO c1cc(-c2cccc(C[N@H+]3CCCC34CCNCC4)c2)cs1 ZINC001235145855 1054666842 /nfs/dbraw/zinc/66/68/42/1054666842.db2.gz WUAGZEWQDZFIAS-UHFFFAOYSA-N 1 3 312.482 4.133 20 0 DIADHO COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCCC[C@]12CCCNC2 ZINC001235174775 1054672442 /nfs/dbraw/zinc/67/24/42/1054672442.db2.gz VIVSLHPODDICBH-AZUAARDMSA-N 1 3 324.553 4.216 20 0 DIADHO COC(C)(C)CCC[C@H](C)CC[N@H+]1CCCC[C@]12CCCNC2 ZINC001235174775 1054672449 /nfs/dbraw/zinc/67/24/49/1054672449.db2.gz VIVSLHPODDICBH-AZUAARDMSA-N 1 3 324.553 4.216 20 0 DIADHO COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCCC[C@]12CCCNC2 ZINC001235174778 1054672479 /nfs/dbraw/zinc/67/24/79/1054672479.db2.gz VIVSLHPODDICBH-UYAOXDASSA-N 1 3 324.553 4.216 20 0 DIADHO COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCCC[C@]12CCCNC2 ZINC001235174778 1054672489 /nfs/dbraw/zinc/67/24/89/1054672489.db2.gz VIVSLHPODDICBH-UYAOXDASSA-N 1 3 324.553 4.216 20 0 DIADHO c1ccc2c(c1)sc1c2cccc1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235184457 1054675082 /nfs/dbraw/zinc/67/50/82/1054675082.db2.gz LKKVPFTZHMJDLX-ZBFHGGJFSA-N 1 3 322.477 4.096 20 0 DIADHO CN1CC2(C1)CC[NH+](Cc1cc(-c3ccsc3)cs1)CC2 ZINC001235187808 1054678307 /nfs/dbraw/zinc/67/83/07/1054678307.db2.gz BTZGBGOYFROOJO-UHFFFAOYSA-N 1 3 318.511 4.004 20 0 DIADHO Cc1c2ccccc2sc1C[N@@H+]1CCCCC12CCNCC2 ZINC001235190508 1054680059 /nfs/dbraw/zinc/68/00/59/1054680059.db2.gz KJICEGKHGNJHOC-UHFFFAOYSA-N 1 3 314.498 4.318 20 0 DIADHO Cc1c2ccccc2sc1C[N@H+]1CCCCC12CCNCC2 ZINC001235190508 1054680066 /nfs/dbraw/zinc/68/00/66/1054680066.db2.gz KJICEGKHGNJHOC-UHFFFAOYSA-N 1 3 314.498 4.318 20 0 DIADHO Clc1ccc([C@@H]2C[C@H]2C[N@@H+]2CCCCC23CCNCC3)cc1 ZINC001235191803 1054681291 /nfs/dbraw/zinc/68/12/91/1054681291.db2.gz ZEBKPACNXSWCSZ-WMZOPIPTSA-N 1 3 318.892 4.052 20 0 DIADHO Clc1ccc([C@@H]2C[C@H]2C[N@H+]2CCCCC23CCNCC3)cc1 ZINC001235191803 1054681299 /nfs/dbraw/zinc/68/12/99/1054681299.db2.gz ZEBKPACNXSWCSZ-WMZOPIPTSA-N 1 3 318.892 4.052 20 0 DIADHO c1ccc(-c2cccc(C[N@@H+]3CCCCC34CCNCC4)c2)cc1 ZINC001235190635 1054681912 /nfs/dbraw/zinc/68/19/12/1054681912.db2.gz YFRYDNNFAPUGMY-UHFFFAOYSA-N 1 3 320.480 4.462 20 0 DIADHO c1ccc(-c2cccc(C[N@H+]3CCCCC34CCNCC4)c2)cc1 ZINC001235190635 1054681920 /nfs/dbraw/zinc/68/19/20/1054681920.db2.gz YFRYDNNFAPUGMY-UHFFFAOYSA-N 1 3 320.480 4.462 20 0 DIADHO c1ccc(C2(C[N@@H+]3CCCCC34CCNCC4)CCCC2)cc1 ZINC001235189773 1054681960 /nfs/dbraw/zinc/68/19/60/1054681960.db2.gz BCAQYFUUCACERV-UHFFFAOYSA-N 1 3 312.501 4.107 20 0 DIADHO c1ccc(C2(C[N@H+]3CCCCC34CCNCC4)CCCC2)cc1 ZINC001235189773 1054681962 /nfs/dbraw/zinc/68/19/62/1054681962.db2.gz BCAQYFUUCACERV-UHFFFAOYSA-N 1 3 312.501 4.107 20 0 DIADHO Cc1csc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)c1Cl ZINC001235231597 1054687807 /nfs/dbraw/zinc/68/78/07/1054687807.db2.gz UTPCCDISCKLTDG-AWEZNQCLSA-N 1 3 312.910 4.064 20 0 DIADHO c1ccc2cc(C3CCN(C[C@H]4CCC[NH2+]C4)CC3)ccc2c1 ZINC001235713541 1054784817 /nfs/dbraw/zinc/78/48/17/1054784817.db2.gz CTEUYGBVPCBYEW-KRWDZBQOSA-N 1 3 308.469 4.019 20 0 DIADHO CCN(Cc1sc2scc(C)c2c1C)C1CC[NH2+]CC1 ZINC001235762297 1054800645 /nfs/dbraw/zinc/80/06/45/1054800645.db2.gz RRDLAXFCEADZQP-UHFFFAOYSA-N 1 3 308.516 4.154 20 0 DIADHO CC[N@H+](Cc1sc2scc(C)c2c1C)C1CCNCC1 ZINC001235762297 1054800654 /nfs/dbraw/zinc/80/06/54/1054800654.db2.gz RRDLAXFCEADZQP-UHFFFAOYSA-N 1 3 308.516 4.154 20 0 DIADHO CC[N@@H+](Cc1sc2scc(C)c2c1C)C1CCNCC1 ZINC001235762297 1054800668 /nfs/dbraw/zinc/80/06/68/1054800668.db2.gz RRDLAXFCEADZQP-UHFFFAOYSA-N 1 3 308.516 4.154 20 0 DIADHO CCN(Cc1cccc(-c2ccc(C)cc2)c1)C1CC[NH2+]CC1 ZINC001235760768 1054801941 /nfs/dbraw/zinc/80/19/41/1054801941.db2.gz KDQOLQXOOCHMEI-UHFFFAOYSA-N 1 3 308.469 4.236 20 0 DIADHO CC[N@H+](Cc1cccc(-c2ccc(C)cc2)c1)C1CCNCC1 ZINC001235760768 1054801948 /nfs/dbraw/zinc/80/19/48/1054801948.db2.gz KDQOLQXOOCHMEI-UHFFFAOYSA-N 1 3 308.469 4.236 20 0 DIADHO CC[N@@H+](Cc1cccc(-c2ccc(C)cc2)c1)C1CCNCC1 ZINC001235760768 1054801954 /nfs/dbraw/zinc/80/19/54/1054801954.db2.gz KDQOLQXOOCHMEI-UHFFFAOYSA-N 1 3 308.469 4.236 20 0 DIADHO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(/C=C/c2ccccc2)cc1 ZINC001235810894 1054813125 /nfs/dbraw/zinc/81/31/25/1054813125.db2.gz OYFXMCRVEGDNQC-IPJTVVJOSA-N 1 3 318.464 4.311 20 0 DIADHO Cc1csc([C@@H](C)NC2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000623923455 1054824442 /nfs/dbraw/zinc/82/44/42/1054824442.db2.gz BFLNPVKKEHMDHZ-KLAILNCOSA-N 1 3 321.534 4.145 20 0 DIADHO CSc1ccc(Cl)cc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235888976 1054831192 /nfs/dbraw/zinc/83/11/92/1054831192.db2.gz SRPMORPVMAWLNM-MRXNPFEDSA-N 1 3 324.921 4.026 20 0 DIADHO CCC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(C)sc1C ZINC000623995766 1054848177 /nfs/dbraw/zinc/84/81/77/1054848177.db2.gz ILVBBCQCADOVPF-MMNRESRNSA-N 1 3 306.519 4.421 20 0 DIADHO CCC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(C)sc1C ZINC000623995766 1054848183 /nfs/dbraw/zinc/84/81/83/1054848183.db2.gz ILVBBCQCADOVPF-MMNRESRNSA-N 1 3 306.519 4.421 20 0 DIADHO Cc1cccc(C)c1-c1cccc(CN2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235943872 1054861735 /nfs/dbraw/zinc/86/17/35/1054861735.db2.gz ZONFUKXHMXWKDH-NHCUHLMSSA-N 1 3 320.480 4.012 20 0 DIADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccccc1C(F)(F)F ZINC000624119534 1054883183 /nfs/dbraw/zinc/88/31/83/1054883183.db2.gz DSABNBHEDHIZOB-KBPBESRZSA-N 1 3 314.395 4.088 20 0 DIADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccccc1C(F)(F)F ZINC000624119536 1054883394 /nfs/dbraw/zinc/88/33/94/1054883394.db2.gz DSABNBHEDHIZOB-UONOGXRCSA-N 1 3 314.395 4.088 20 0 DIADHO CN1CCCC[C@@H](C[NH2+][C@H](c2cccnc2)C2CCCCC2)C1 ZINC000624123319 1054883650 /nfs/dbraw/zinc/88/36/50/1054883650.db2.gz JTXBEUAVZCJRFS-PXNSSMCTSA-N 1 3 315.505 4.025 20 0 DIADHO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624119454 1054883915 /nfs/dbraw/zinc/88/39/15/1054883915.db2.gz BJZNUAUBXQAPEH-HOTGVXAUSA-N 1 3 300.446 4.124 20 0 DIADHO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624119455 1054886007 /nfs/dbraw/zinc/88/60/07/1054886007.db2.gz BJZNUAUBXQAPEH-HZPDHXFCSA-N 1 3 300.446 4.124 20 0 DIADHO c1ccc(Oc2cccc(CN3CC4(C3)CCC[NH2+]CC4)c2)cc1 ZINC001236007442 1054893814 /nfs/dbraw/zinc/89/38/14/1054893814.db2.gz BYCDSJPMPYTLKF-UHFFFAOYSA-N 1 3 322.452 4.054 20 0 DIADHO c1cc(-c2csc(CN3CC4(C3)CCC[NH2+]CC4)c2)cs1 ZINC001236010190 1054894583 /nfs/dbraw/zinc/89/45/83/1054894583.db2.gz SAJQBIMCIZLYOY-UHFFFAOYSA-N 1 3 318.511 4.052 20 0 DIADHO C[NH2+]C[C@@H]1CCN(Cc2cccc3c4ccccc4sc32)C1 ZINC001236066293 1054922243 /nfs/dbraw/zinc/92/22/43/1054922243.db2.gz GYDDPNMTGDMLBR-AWEZNQCLSA-N 1 3 310.466 4.096 20 0 DIADHO C[NH2+]C[C@H]1CCN(Cc2ccccc2-c2ccc(Cl)cc2)C1 ZINC001236066842 1054924554 /nfs/dbraw/zinc/92/45/54/1054924554.db2.gz LRGMUTVAEGOMPA-OAHLLOKOSA-N 1 3 314.860 4.048 20 0 DIADHO CC(C)N(Cc1ccc(Cl)cc1Cl)CC12CC([NH3+])(C1)C2 ZINC001236092138 1054938179 /nfs/dbraw/zinc/93/81/79/1054938179.db2.gz HJDAZMKBTQYNQW-UHFFFAOYSA-N 1 3 313.272 4.085 20 0 DIADHO CN(CCC(c1ccccc1)c1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC001236093136 1054940766 /nfs/dbraw/zinc/94/07/66/1054940766.db2.gz RBLIZQRLCSIYSJ-IBGZPJMESA-N 1 3 322.496 4.140 20 0 DIADHO C[N@H+](CCC(c1ccccc1)c1ccccc1)C[C@H]1CCCNC1 ZINC001236093136 1054940772 /nfs/dbraw/zinc/94/07/72/1054940772.db2.gz RBLIZQRLCSIYSJ-IBGZPJMESA-N 1 3 322.496 4.140 20 0 DIADHO C[N@@H+](CCC(c1ccccc1)c1ccccc1)C[C@H]1CCCNC1 ZINC001236093136 1054940785 /nfs/dbraw/zinc/94/07/85/1054940785.db2.gz RBLIZQRLCSIYSJ-IBGZPJMESA-N 1 3 322.496 4.140 20 0 DIADHO CN(CCCC[NH3+])Cc1ccc(-c2ccccc2)cc1Cl ZINC001236141560 1054968051 /nfs/dbraw/zinc/96/80/51/1054968051.db2.gz JEGYQWSTPFNFLI-UHFFFAOYSA-N 1 3 302.849 4.178 20 0 DIADHO [NH3+]Cc1ccc(CN2CCC[C@H]2c2cccc(Cl)c2)cc1 ZINC001236151923 1054970184 /nfs/dbraw/zinc/97/01/84/1054970184.db2.gz KEDBDKAIUXZCSP-SFHVURJKSA-N 1 3 300.833 4.136 20 0 DIADHO CCCCCOc1ccc(CN(CCC)C2CC[NH2+]CC2)cc1 ZINC001236180257 1054981943 /nfs/dbraw/zinc/98/19/43/1054981943.db2.gz FILXGRZVHCKIGL-UHFFFAOYSA-N 1 3 318.505 4.220 20 0 DIADHO CCCCCOc1ccc(C[N@H+](CCC)C2CCNCC2)cc1 ZINC001236180257 1054981955 /nfs/dbraw/zinc/98/19/55/1054981955.db2.gz FILXGRZVHCKIGL-UHFFFAOYSA-N 1 3 318.505 4.220 20 0 DIADHO CCCCCOc1ccc(C[N@@H+](CCC)C2CCNCC2)cc1 ZINC001236180257 1054981967 /nfs/dbraw/zinc/98/19/67/1054981967.db2.gz FILXGRZVHCKIGL-UHFFFAOYSA-N 1 3 318.505 4.220 20 0 DIADHO CCC[N@H+](Cc1cc(C)c(OC(C)C)c(C)c1)C1CCNCC1 ZINC001236184707 1054985017 /nfs/dbraw/zinc/98/50/17/1054985017.db2.gz MGBDBEIGWMQRFI-UHFFFAOYSA-N 1 3 318.505 4.055 20 0 DIADHO CCC[N@@H+](Cc1cc(C)c(OC(C)C)c(C)c1)C1CCNCC1 ZINC001236184707 1054985033 /nfs/dbraw/zinc/98/50/33/1054985033.db2.gz MGBDBEIGWMQRFI-UHFFFAOYSA-N 1 3 318.505 4.055 20 0 DIADHO CCCN(Cc1cc(C)c(OC(C)C)c(C)c1)C1CC[NH2+]CC1 ZINC001236184707 1054985045 /nfs/dbraw/zinc/98/50/45/1054985045.db2.gz MGBDBEIGWMQRFI-UHFFFAOYSA-N 1 3 318.505 4.055 20 0 DIADHO CCC[N@H+](Cc1ccc(Cc2ccccc2)cc1)C1CCNCC1 ZINC001236184780 1054985408 /nfs/dbraw/zinc/98/54/08/1054985408.db2.gz OXVVZOKKCAAZMV-UHFFFAOYSA-N 1 3 322.496 4.241 20 0 DIADHO CCC[N@@H+](Cc1ccc(Cc2ccccc2)cc1)C1CCNCC1 ZINC001236184780 1054985429 /nfs/dbraw/zinc/98/54/29/1054985429.db2.gz OXVVZOKKCAAZMV-UHFFFAOYSA-N 1 3 322.496 4.241 20 0 DIADHO CCCN(Cc1ccc(Cc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC001236184780 1054985441 /nfs/dbraw/zinc/98/54/41/1054985441.db2.gz OXVVZOKKCAAZMV-UHFFFAOYSA-N 1 3 322.496 4.241 20 0 DIADHO C[N@H+](Cc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCCC[C@@H]1N ZINC001236216579 1055003674 /nfs/dbraw/zinc/00/36/74/1055003674.db2.gz KLOKHJGJWXTOSC-PMACEKPBSA-N 1 3 312.432 4.194 20 0 DIADHO C[N@@H+](Cc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCCC[C@@H]1N ZINC001236216579 1055003689 /nfs/dbraw/zinc/00/36/89/1055003689.db2.gz KLOKHJGJWXTOSC-PMACEKPBSA-N 1 3 312.432 4.194 20 0 DIADHO COc1ccc(-c2cccc(C[N@H+](C)[C@H]3CCCC[C@H]3N)c2)cc1 ZINC001236216264 1055004524 /nfs/dbraw/zinc/00/45/24/1055004524.db2.gz JWOLOAXIADOPDH-RTWAWAEBSA-N 1 3 324.468 4.064 20 0 DIADHO COc1ccc(-c2cccc(C[N@@H+](C)[C@H]3CCCC[C@H]3N)c2)cc1 ZINC001236216264 1055004540 /nfs/dbraw/zinc/00/45/40/1055004540.db2.gz JWOLOAXIADOPDH-RTWAWAEBSA-N 1 3 324.468 4.064 20 0 DIADHO COc1ccc(-c2cccc(C[N@H+](C)[C@@H]3CCCC[C@@H]3N)c2)cc1 ZINC001236216262 1055005779 /nfs/dbraw/zinc/00/57/79/1055005779.db2.gz JWOLOAXIADOPDH-LEWJYISDSA-N 1 3 324.468 4.064 20 0 DIADHO COc1ccc(-c2cccc(C[N@@H+](C)[C@@H]3CCCC[C@@H]3N)c2)cc1 ZINC001236216262 1055005791 /nfs/dbraw/zinc/00/57/91/1055005791.db2.gz JWOLOAXIADOPDH-LEWJYISDSA-N 1 3 324.468 4.064 20 0 DIADHO Cc1c(C[N@@H+](C)[C@H]2CCCC[C@@H]2N)cccc1-c1ccccc1 ZINC001236219389 1055009967 /nfs/dbraw/zinc/00/99/67/1055009967.db2.gz VOEHMPRZTZGJKZ-SFTDATJTSA-N 1 3 308.469 4.364 20 0 DIADHO Cc1c(C[N@H+](C)[C@H]2CCCC[C@@H]2N)cccc1-c1ccccc1 ZINC001236219389 1055009983 /nfs/dbraw/zinc/00/99/83/1055009983.db2.gz VOEHMPRZTZGJKZ-SFTDATJTSA-N 1 3 308.469 4.364 20 0 DIADHO C[N@H+](Cc1cccc2c3ccccc3oc21)[C@H]1CCCC[C@H]1N ZINC001236218765 1055010679 /nfs/dbraw/zinc/01/06/79/1055010679.db2.gz UBMUKUBMDRLYAO-MSOLQXFVSA-N 1 3 308.425 4.288 20 0 DIADHO C[N@@H+](Cc1cccc2c3ccccc3oc21)[C@H]1CCCC[C@H]1N ZINC001236218765 1055010693 /nfs/dbraw/zinc/01/06/93/1055010693.db2.gz UBMUKUBMDRLYAO-MSOLQXFVSA-N 1 3 308.425 4.288 20 0 DIADHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000182817915 1055012086 /nfs/dbraw/zinc/01/20/86/1055012086.db2.gz QEWNAYOOQFONML-INIZCTEOSA-N 1 3 312.432 4.272 20 0 DIADHO CN(Cc1ccccc1CCc1ccccc1)C1(C)CC[NH2+]CC1 ZINC001236226061 1055017487 /nfs/dbraw/zinc/01/74/87/1055017487.db2.gz GKCPMORELQKLHO-UHFFFAOYSA-N 1 3 322.496 4.046 20 0 DIADHO C[N@H+](Cc1ccccc1CCc1ccccc1)C1(C)CCNCC1 ZINC001236226061 1055017495 /nfs/dbraw/zinc/01/74/95/1055017495.db2.gz GKCPMORELQKLHO-UHFFFAOYSA-N 1 3 322.496 4.046 20 0 DIADHO C[N@@H+](Cc1ccccc1CCc1ccccc1)C1(C)CCNCC1 ZINC001236226061 1055017501 /nfs/dbraw/zinc/01/75/01/1055017501.db2.gz GKCPMORELQKLHO-UHFFFAOYSA-N 1 3 322.496 4.046 20 0 DIADHO Fc1ccc(CCC[N@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1 ZINC001236370381 1055077251 /nfs/dbraw/zinc/07/72/51/1055077251.db2.gz DXDXUETYFHOSBB-GOSISDBHSA-N 1 3 318.480 4.003 20 0 DIADHO Fc1ccc(CCC[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1 ZINC001236370381 1055077262 /nfs/dbraw/zinc/07/72/62/1055077262.db2.gz DXDXUETYFHOSBB-GOSISDBHSA-N 1 3 318.480 4.003 20 0 DIADHO CCC[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cccnc1 ZINC000184901127 1055083660 /nfs/dbraw/zinc/08/36/60/1055083660.db2.gz WSNHKEKJCMGKEH-NRFANRHFSA-N 1 3 323.484 4.308 20 0 DIADHO CSc1ccccc1CN(C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375973 1055083659 /nfs/dbraw/zinc/08/36/59/1055083659.db2.gz NUQOTXWVGBQMFW-INIZCTEOSA-N 1 3 318.530 4.153 20 0 DIADHO CCC[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cccnc1 ZINC000184901138 1055083849 /nfs/dbraw/zinc/08/38/49/1055083849.db2.gz WSNHKEKJCMGKEH-OAQYLSRUSA-N 1 3 323.484 4.308 20 0 DIADHO C[C@H]([NH2+]CCc1ccccc1Cl)[C@H]1CCCN(C2CCC2)C1 ZINC000185724214 1055096970 /nfs/dbraw/zinc/09/69/70/1055096970.db2.gz XFSVBNHXSGBQIZ-RDJZCZTQSA-N 1 3 320.908 4.125 20 0 DIADHO C[C@@H]1[C@@H](N)CCC[N@@H+]1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001236419165 1055105066 /nfs/dbraw/zinc/10/50/66/1055105066.db2.gz HBXFWYBPMLLPMA-BEFAXECRSA-N 1 3 319.452 4.147 20 0 DIADHO C[C@@H]1[C@@H](N)CCC[N@H+]1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001236419165 1055105075 /nfs/dbraw/zinc/10/50/75/1055105075.db2.gz HBXFWYBPMLLPMA-BEFAXECRSA-N 1 3 319.452 4.147 20 0 DIADHO C[NH+](C)Cc1cccc(-c2ccc(CN3CCCC3)c(F)c2)c1 ZINC001236424970 1055107883 /nfs/dbraw/zinc/10/78/83/1055107883.db2.gz BEBXKTHBLWUQHZ-UHFFFAOYSA-N 1 3 312.432 4.150 20 0 DIADHO CCC[C@H](C)C[N@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001236516489 1055155838 /nfs/dbraw/zinc/15/58/38/1055155838.db2.gz FJKXQQOMJZLHMO-HNNXBMFYSA-N 1 3 306.469 4.124 20 0 DIADHO CCC[C@H](C)C[N@@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001236516489 1055155843 /nfs/dbraw/zinc/15/58/43/1055155843.db2.gz FJKXQQOMJZLHMO-HNNXBMFYSA-N 1 3 306.469 4.124 20 0 DIADHO CCC[C@@H](C)C[N@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001236516494 1055156558 /nfs/dbraw/zinc/15/65/58/1055156558.db2.gz FJKXQQOMJZLHMO-OAHLLOKOSA-N 1 3 306.469 4.124 20 0 DIADHO CCC[C@@H](C)C[N@@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001236516494 1055156562 /nfs/dbraw/zinc/15/65/62/1055156562.db2.gz FJKXQQOMJZLHMO-OAHLLOKOSA-N 1 3 306.469 4.124 20 0 DIADHO Cc1ccc(CN(C[C@@H]2CCC[NH2+]C2)C2CC2)c2ccccc12 ZINC001236598247 1055200253 /nfs/dbraw/zinc/20/02/53/1055200253.db2.gz JGJOXOZSFGZKFX-QGZVFWFLSA-N 1 3 308.469 4.112 20 0 DIADHO Cc1c2ccccc2sc1CN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236599573 1055202281 /nfs/dbraw/zinc/20/22/81/1055202281.db2.gz STEYTFRPLXGKAU-HNNXBMFYSA-N 1 3 314.498 4.174 20 0 DIADHO C[C@@]1(C[NH3+])CCN(Cc2ccc(/C=C/c3ccccc3)cc2)C1 ZINC001236606004 1055203993 /nfs/dbraw/zinc/20/39/93/1055203993.db2.gz YKACNNWUDRRVAC-CQQBXOTJSA-N 1 3 306.453 4.028 20 0 DIADHO CCCN(CCC[NH+](C)C)Cc1cc2cc(OC)ccc2s1 ZINC001236667264 1055220482 /nfs/dbraw/zinc/22/04/82/1055220482.db2.gz KTAWDHGLDANTLM-UHFFFAOYSA-N 1 3 320.502 4.074 20 0 DIADHO CC(C)(C)C[N@H+](Cc1ccc([O-])cc1Cl)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768863 1055255521 /nfs/dbraw/zinc/25/55/21/1055255521.db2.gz YAEKJNTWOVZTIN-SHTZXODSSA-N 1 3 324.896 4.164 20 0 DIADHO CC(C)(C)C[N@@H+](Cc1ccc([O-])cc1Cl)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768863 1055255526 /nfs/dbraw/zinc/25/55/26/1055255526.db2.gz YAEKJNTWOVZTIN-SHTZXODSSA-N 1 3 324.896 4.164 20 0 DIADHO CCCN(Cc1ccc(-c2ccccc2)s1)C[C@H]1CC[NH2+]C1 ZINC001236833440 1055282419 /nfs/dbraw/zinc/28/24/19/1055282419.db2.gz BHUPLIOZUDJHNE-INIZCTEOSA-N 1 3 314.498 4.237 20 0 DIADHO CCCN(Cc1cc(-c2ccsc2)cs1)C[C@H]1CC[NH2+]C1 ZINC001236843739 1055287641 /nfs/dbraw/zinc/28/76/41/1055287641.db2.gz QPPCQBNRILSZTL-AWEZNQCLSA-N 1 3 320.527 4.298 20 0 DIADHO CCCN(Cc1cccc(-c2ccccc2)c1)C[C@@H]1CC[NH2+]C1 ZINC001236843045 1055289477 /nfs/dbraw/zinc/28/94/77/1055289477.db2.gz KTDQZOJOKGXBCU-LJQANCHMSA-N 1 3 308.469 4.175 20 0 DIADHO CCCN(Cc1ccc(Cc2ccccc2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236844507 1055289677 /nfs/dbraw/zinc/28/96/77/1055289677.db2.gz VKOHGBKAUVDOTQ-JOCHJYFZSA-N 1 3 322.496 4.099 20 0 DIADHO Cc1cccc(-c2ccc(CN3CCC[C@@](C)(C[NH3+])C3)cc2)c1 ZINC001237080660 1055365243 /nfs/dbraw/zinc/36/52/43/1055365243.db2.gz HNRDMZDAYQLEQR-NRFANRHFSA-N 1 3 308.469 4.223 20 0 DIADHO CC1=C[C@@H](C)[C@@H](CN2Cc3ccccc3C23CC[NH2+]CC3)CC1 ZINC001237301765 1055422057 /nfs/dbraw/zinc/42/20/57/1055422057.db2.gz ZTZXUCMPGYFALJ-QZTJIDSGSA-N 1 3 310.485 4.073 20 0 DIADHO C[C@H](CN1CC[C@H]2[NH2+]CCC[C@@H]2C1)c1cccc2ccccc21 ZINC001237380724 1055444188 /nfs/dbraw/zinc/44/41/88/1055444188.db2.gz HCVANNYESFRZEB-HGHGUNKESA-N 1 3 308.469 4.017 20 0 DIADHO CC(C)C[N@@H+]1CCC[C@H](CNCc2cccc3ccccc32)C1 ZINC001620868499 1055495758 /nfs/dbraw/zinc/49/57/58/1055495758.db2.gz FJFPHAUGBAJRQN-GOSISDBHSA-N 1 3 310.485 4.297 20 0 DIADHO CC(C)C[N@H+]1CCC[C@H](CNCc2cccc3ccccc32)C1 ZINC001620868499 1055495765 /nfs/dbraw/zinc/49/57/65/1055495765.db2.gz FJFPHAUGBAJRQN-GOSISDBHSA-N 1 3 310.485 4.297 20 0 DIADHO CC(C)[C@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC001620890686 1055516368 /nfs/dbraw/zinc/51/63/68/1055516368.db2.gz YAPLJWXNYGMIIB-ICSRJNTNSA-N 1 3 306.538 4.445 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@@H+]3CCC[C@@](C)(F)CC3)cc21 ZINC001237880707 1055546481 /nfs/dbraw/zinc/54/64/81/1055546481.db2.gz JDWZUZQDVXAKMM-HXUWFJFHSA-N 1 3 316.464 4.402 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@H+]3CCC[C@@](C)(F)CC3)cc21 ZINC001237880707 1055546490 /nfs/dbraw/zinc/54/64/90/1055546490.db2.gz JDWZUZQDVXAKMM-HXUWFJFHSA-N 1 3 316.464 4.402 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@@H+]3CCC[C@H]4CCC[C@@H]43)cc21 ZINC001237886062 1055550285 /nfs/dbraw/zinc/55/02/85/1055550285.db2.gz JZNRZDFLHOKMGW-QUCCMNQESA-N 1 3 310.485 4.452 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@H+]3CCC[C@H]4CCC[C@@H]43)cc21 ZINC001237886062 1055550299 /nfs/dbraw/zinc/55/02/99/1055550299.db2.gz JZNRZDFLHOKMGW-QUCCMNQESA-N 1 3 310.485 4.452 20 0 DIADHO CC(C)C1=NCCc2ccc(C[NH+]3CC4CCC(CC4)C3)cc21 ZINC001237888238 1055552479 /nfs/dbraw/zinc/55/24/79/1055552479.db2.gz ASWBIZWICWUUCS-UHFFFAOYSA-N 1 3 310.485 4.310 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001238514394 1055676673 /nfs/dbraw/zinc/67/66/73/1055676673.db2.gz DCBGTKFJLMYSLM-UHFFFAOYSA-N 1 3 318.480 4.399 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001238514394 1055676679 /nfs/dbraw/zinc/67/66/79/1055676679.db2.gz DCBGTKFJLMYSLM-UHFFFAOYSA-N 1 3 318.480 4.399 20 0 DIADHO CN(C)C1(C)CC[NH+](CCCCc2cccc(Cl)c2)CC1 ZINC001620503276 1055957486 /nfs/dbraw/zinc/95/74/86/1055957486.db2.gz GGLLRZKNWZZDOH-UHFFFAOYSA-N 1 3 308.897 4.079 20 0 DIADHO CC(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCN3C)C2)c(C(C)C)c1 ZINC001620506727 1055962677 /nfs/dbraw/zinc/96/26/77/1055962677.db2.gz MPGOIKMXGXJCDL-CTNGQTDRSA-N 1 3 314.517 4.459 20 0 DIADHO CC(C)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCN3C)C2)c(C(C)C)c1 ZINC001620506727 1055962685 /nfs/dbraw/zinc/96/26/85/1055962685.db2.gz MPGOIKMXGXJCDL-CTNGQTDRSA-N 1 3 314.517 4.459 20 0 DIADHO CN1CCCC[C@H](C[NH2+]Cc2ccc(C3CC3)c(C3CC3)c2)C1 ZINC001621006517 1055974285 /nfs/dbraw/zinc/97/42/85/1055974285.db2.gz LEHBPGDEMNBUOE-QGZVFWFLSA-N 1 3 312.501 4.263 20 0 DIADHO CN1CCCC[C@@H](C[NH2+]Cc2ccc(C3CCCC3)cc2)C1 ZINC001621006696 1055975106 /nfs/dbraw/zinc/97/51/06/1055975106.db2.gz RAJOKERRPKJCBX-SFHVURJKSA-N 1 3 300.490 4.166 20 0 DIADHO CC(C)c1ccc(-c2ccccc2CN2CCC([NH3+])CC2)cc1 ZINC001239626975 1055985480 /nfs/dbraw/zinc/98/54/80/1055985480.db2.gz WVTRPLDITPDRQF-UHFFFAOYSA-N 1 3 308.469 4.400 20 0 DIADHO CC[NH+]1CCC(CCNCc2cc(Cl)sc2Cl)CC1 ZINC001620815710 1056009595 /nfs/dbraw/zinc/00/95/95/1056009595.db2.gz GLJUQUKSRGKXBQ-UHFFFAOYSA-N 1 3 321.317 4.267 20 0 DIADHO CN(C[C@@H]1CCC[N@H+](C)C1)C1c2ccccc2-c2ccccc21 ZINC001615634866 1056550884 /nfs/dbraw/zinc/55/08/84/1056550884.db2.gz KEFNPXIKWADEQY-MRXNPFEDSA-N 1 3 306.453 4.030 20 0 DIADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C1c2ccccc2-c2ccccc21 ZINC001615634866 1056550891 /nfs/dbraw/zinc/55/08/91/1056550891.db2.gz KEFNPXIKWADEQY-MRXNPFEDSA-N 1 3 306.453 4.030 20 0 DIADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(F)cc2)CC1 ZINC001615867206 1056586917 /nfs/dbraw/zinc/58/69/17/1056586917.db2.gz FECUXNNARNYJDQ-KRWDZBQOSA-N 1 3 318.480 4.302 20 0 DIADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(F)cc2)CC1 ZINC001615867206 1056586927 /nfs/dbraw/zinc/58/69/27/1056586927.db2.gz FECUXNNARNYJDQ-KRWDZBQOSA-N 1 3 318.480 4.302 20 0 DIADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2CC(C)C)[C@@H](C)C1 ZINC001615896639 1056593989 /nfs/dbraw/zinc/59/39/89/1056593989.db2.gz YZEJGEMLSDCJND-PXNSSMCTSA-N 1 3 302.506 4.047 20 0 DIADHO CC[N@H+]1CC[C@H](N(C)Cc2ccccc2CC(C)C)[C@@H](C)C1 ZINC001615896639 1056594002 /nfs/dbraw/zinc/59/40/02/1056594002.db2.gz YZEJGEMLSDCJND-PXNSSMCTSA-N 1 3 302.506 4.047 20 0 DIADHO Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@H](N)C2)c2ccccc12 ZINC001241006019 1056810062 /nfs/dbraw/zinc/81/00/62/1056810062.db2.gz BHNDYJVBTNBZLC-SFHVURJKSA-N 1 3 316.448 4.348 20 0 DIADHO Cc1ccc(-c2ccccc2C[N@H+]2CC[C@H](N)C2)c2ccccc12 ZINC001241006019 1056810067 /nfs/dbraw/zinc/81/00/67/1056810067.db2.gz BHNDYJVBTNBZLC-SFHVURJKSA-N 1 3 316.448 4.348 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@H]2Cc3cccc(Cl)c3C2)CC1(C)C ZINC001168702939 1056858674 /nfs/dbraw/zinc/85/86/74/1056858674.db2.gz XJOLWVLBSOXLOY-AWEZNQCLSA-N 1 3 320.908 4.048 20 0 DIADHO C[NH+]1C(C)(C)CC(N[C@H]2Cc3cccc(Cl)c3C2)CC1(C)C ZINC001168702939 1056858679 /nfs/dbraw/zinc/85/86/79/1056858679.db2.gz XJOLWVLBSOXLOY-AWEZNQCLSA-N 1 3 320.908 4.048 20 0 DIADHO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000390791448 1057050222 /nfs/dbraw/zinc/05/02/22/1057050222.db2.gz WTJYVYOLBYSZJC-QUCCMNQESA-N 1 3 308.469 4.249 20 0 DIADHO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000390791448 1057050227 /nfs/dbraw/zinc/05/02/27/1057050227.db2.gz WTJYVYOLBYSZJC-QUCCMNQESA-N 1 3 308.469 4.249 20 0 DIADHO COc1ccc(-c2cccc(C[NH+]3CCCC3)c2)cc1CN(C)C ZINC001242123187 1057270502 /nfs/dbraw/zinc/27/05/02/1057270502.db2.gz WTJIEKZFFFSGLB-UHFFFAOYSA-N 1 3 324.468 4.020 20 0 DIADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000766166464 1057533556 /nfs/dbraw/zinc/53/35/56/1057533556.db2.gz SDGHZGBKDONIHY-SGMGOOAPSA-N 1 3 314.445 4.135 20 0 DIADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000766166464 1057533562 /nfs/dbraw/zinc/53/35/62/1057533562.db2.gz SDGHZGBKDONIHY-SGMGOOAPSA-N 1 3 314.445 4.135 20 0 DIADHO C[NH+](C)CCCOc1ccc(-c2ccc(C3=NCCC3)cc2)cc1 ZINC001245337187 1058146482 /nfs/dbraw/zinc/14/64/82/1058146482.db2.gz ZSXWWMNVVPAHGY-UHFFFAOYSA-N 1 3 322.452 4.267 20 0 DIADHO C[C@@H]1C[C@@H]([NH2+]CCc2cccc(Oc3ccccc3)c2)C[C@H](C)N1 ZINC001246159973 1058701576 /nfs/dbraw/zinc/70/15/76/1058701576.db2.gz QULJWSDQWXIFOM-IZZQQSIFSA-N 1 3 324.468 4.140 20 0 DIADHO C[C@@H]1C[C@@H](NCCc2cccc(Oc3ccccc3)c2)C[C@H](C)[NH2+]1 ZINC001246159973 1058701596 /nfs/dbraw/zinc/70/15/96/1058701596.db2.gz QULJWSDQWXIFOM-IZZQQSIFSA-N 1 3 324.468 4.140 20 0 DIADHO CC(C)[C@H]1C[C@@H](NCCc2ccc(-c3ccccc3)cc2)CC[NH2+]1 ZINC001246162835 1058704888 /nfs/dbraw/zinc/70/48/88/1058704888.db2.gz IQMFAYUHVKUXDV-FCHUYYIVSA-N 1 3 322.496 4.262 20 0 DIADHO CCCC[C@H]1C[C@@H](NC2(c3ccccc3)CCCC2)CC[NH2+]1 ZINC001246173927 1058715159 /nfs/dbraw/zinc/71/51/59/1058715159.db2.gz BGHHEXRCOCGEFK-OALUTQOASA-N 1 3 300.490 4.356 20 0 DIADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)c1 ZINC001246174043 1058716479 /nfs/dbraw/zinc/71/64/79/1058716479.db2.gz WLOUGVOESOKJPS-IOMROCGXSA-N 1 3 308.469 4.009 20 0 DIADHO CCC(CC)(N[C@H]1CC[NH2+][C@H](C(C)(C)C)C1)c1ccccc1 ZINC001246186250 1058729126 /nfs/dbraw/zinc/72/91/26/1058729126.db2.gz YHQXIJFHFUMMFK-ROUUACIJSA-N 1 3 302.506 4.458 20 0 DIADHO c1ccc(C[C@H]2C[C@H]([NH2+]Cc3ccccc3C3CC3)CCN2)cc1 ZINC001246187805 1058731135 /nfs/dbraw/zinc/73/11/35/1058731135.db2.gz GTLWTMUNBBNWKC-RTWAWAEBSA-N 1 3 320.480 4.017 20 0 DIADHO CC[C@H]1C[C@H]([NH2+]C(C)(C)Cc2ccc3ccccc3c2)CCN1 ZINC001246191608 1058734210 /nfs/dbraw/zinc/73/42/10/1058734210.db2.gz OORBGZGZVVCROB-VQTJNVASSA-N 1 3 310.485 4.281 20 0 DIADHO CC(C)(Cc1ccc2ccccc2c1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC001246192178 1058734259 /nfs/dbraw/zinc/73/42/59/1058734259.db2.gz UIHIVQQCMCJLHF-FQEVSTJZSA-N 1 3 322.496 4.425 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)N[C@]1(C)CCC[NH2+]C1 ZINC001246190761 1058734648 /nfs/dbraw/zinc/73/46/48/1058734648.db2.gz SEWUUSPNKPRLEO-PGRDOPGGSA-N 1 3 322.496 4.329 20 0 DIADHO CCCc1ccc(C[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246227867 1058749232 /nfs/dbraw/zinc/74/92/32/1058749232.db2.gz GLOFFGOGAHWOTC-FCHUYYIVSA-N 1 3 322.496 4.092 20 0 DIADHO COc1ccc(C(C)(C)N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC001246230510 1058752498 /nfs/dbraw/zinc/75/24/98/1058752498.db2.gz BUCKFALNRAHUKJ-AZUAARDMSA-N 1 3 324.468 4.013 20 0 DIADHO COc1ccc(C(C)(C)N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC001246230515 1058752678 /nfs/dbraw/zinc/75/26/78/1058752678.db2.gz BUCKFALNRAHUKJ-UYAOXDASSA-N 1 3 324.468 4.013 20 0 DIADHO c1ccc2cc(CCN[C@H]3CC[NH2+]C4(CCCCC4)C3)ccc2c1 ZINC001246234903 1058757707 /nfs/dbraw/zinc/75/77/07/1058757707.db2.gz OYNKTMVWAWXQOB-NRFANRHFSA-N 1 3 322.496 4.427 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CCN1 ZINC001246236643 1058760398 /nfs/dbraw/zinc/76/03/98/1058760398.db2.gz XMSAPBYKOCRURN-VNTMZGSJSA-N 1 3 314.517 4.469 20 0 DIADHO CC[C@H](N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccc(F)c1 ZINC001246290994 1058806758 /nfs/dbraw/zinc/80/67/58/1058806758.db2.gz PTRMZUBPWMEJFK-SLFFLAALSA-N 1 3 312.432 4.360 20 0 DIADHO CC[C@H](N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccc(F)c1 ZINC001246290991 1058808658 /nfs/dbraw/zinc/80/86/58/1058808658.db2.gz PTRMZUBPWMEJFK-AABGKKOBSA-N 1 3 312.432 4.360 20 0 DIADHO CC[C@@H]1CC(NC(C)(C)Cc2ccccc2F)C[C@@H](CC)[NH2+]1 ZINC001246311092 1058818592 /nfs/dbraw/zinc/81/85/92/1058818592.db2.gz RPMQXFXUJKQOPK-HZPDHXFCSA-N 1 3 306.469 4.046 20 0 DIADHO CC[C@@H](N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccc(OC)c1 ZINC001246310949 1058821693 /nfs/dbraw/zinc/82/16/93/1058821693.db2.gz AQANMXPWTUPQGX-NRSPTQNISA-N 1 3 324.468 4.229 20 0 DIADHO CC[C@@H](N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccc(OC)c1 ZINC001246310948 1058822541 /nfs/dbraw/zinc/82/25/41/1058822541.db2.gz AQANMXPWTUPQGX-HMXCVIKNSA-N 1 3 324.468 4.229 20 0 DIADHO c1ccc(C[C@@H]2C[C@@H]([NH2+]C3(c4ccccc4)CCC3)CCN2)cc1 ZINC001246314375 1058823575 /nfs/dbraw/zinc/82/35/75/1058823575.db2.gz XFGGHLNIEMQWDJ-LEWJYISDSA-N 1 3 320.480 4.019 20 0 DIADHO C[C@@H]1C[C@H](NC2(c3ccc(F)cc3)CC[NH2+]CC2)CC(C)(C)C1 ZINC001246335041 1058842327 /nfs/dbraw/zinc/84/23/27/1058842327.db2.gz GGPHLOVEERIXME-QAPCUYQASA-N 1 3 318.480 4.209 20 0 DIADHO CC1CCC(NC2(c3ccc(Cl)cc3)CC[NH2+]CC2)CC1 ZINC001246340134 1058847497 /nfs/dbraw/zinc/84/74/97/1058847497.db2.gz INPKVFJKPRYKDE-UHFFFAOYSA-N 1 3 306.881 4.087 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H]([NH2+][C@@]23C[C@H]4C[C@@](C)(C2)C[C@](C)(C4)C3)CCN1 ZINC001246337498 1058848662 /nfs/dbraw/zinc/84/86/62/1058848662.db2.gz VXTFOFWLTOPBFL-FDJRCERISA-N 1 3 318.549 4.492 20 0 DIADHO CCCC[C@H](CC)NC1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001246336891 1058849164 /nfs/dbraw/zinc/84/91/64/1058849164.db2.gz PBZDKCPKVVSNND-KRWDZBQOSA-N 1 3 308.897 4.477 20 0 DIADHO C[C@@H]1CC[C@@H](NC2(c3ccc(Cl)cc3)CC[NH2+]CC2)C[C@H]1C ZINC001246341935 1058852089 /nfs/dbraw/zinc/85/20/89/1058852089.db2.gz QIMUHWNLZVUXCK-IIDMSEBBSA-N 1 3 320.908 4.333 20 0 DIADHO CCCCCC[C@H](CCC)[NH2+]C[C@H]1CCN[C@@H]1c1cccnc1 ZINC001246342732 1058854728 /nfs/dbraw/zinc/85/47/28/1058854728.db2.gz TWRTTXJFSBDZOA-HSALFYBXSA-N 1 3 317.521 4.461 20 0 DIADHO COc1cccc(C(C)(C)N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246363685 1058868449 /nfs/dbraw/zinc/86/84/49/1058868449.db2.gz SNOJEIMCFPOXFR-QUCCMNQESA-N 1 3 324.468 4.013 20 0 DIADHO c1ccc(C[C@H]2C[C@H]([NH2+]Cc3cccc(C4CC4)c3)CCN2)cc1 ZINC001246366286 1058874017 /nfs/dbraw/zinc/87/40/17/1058874017.db2.gz XHNHHGNBHWFVAG-YADHBBJMSA-N 1 3 320.480 4.017 20 0 DIADHO CCCC[C@@H](CCC)NC1(c2ccc(OC)cc2)CC[NH2+]CC1 ZINC001246380373 1058882296 /nfs/dbraw/zinc/88/22/96/1058882296.db2.gz KUIRCZPFBVTUGS-GOSISDBHSA-N 1 3 318.505 4.222 20 0 DIADHO CC(C)CCC[C@@H](C)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246380941 1058882473 /nfs/dbraw/zinc/88/24/73/1058882473.db2.gz KXCPJFFYBXKODW-QGZVFWFLSA-N 1 3 320.496 4.295 20 0 DIADHO CC[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3Cl)CCNCC2)C1 ZINC001246379621 1058884444 /nfs/dbraw/zinc/88/44/44/1058884444.db2.gz ZRAJXNCKODDBHV-LSDHHAIUSA-N 1 3 306.881 4.087 20 0 DIADHO CCCCC[C@H](CC)NC1(c2ccc(OC)cc2)CC[NH2+]CC1 ZINC001246379380 1058885754 /nfs/dbraw/zinc/88/57/54/1058885754.db2.gz CYUGQNUPTVTBHR-SFHVURJKSA-N 1 3 318.505 4.222 20 0 DIADHO CC[C@H](C[C@@H](C)CC)NC1(c2ccc(OC)cc2)CC[NH2+]CC1 ZINC001246381346 1058887697 /nfs/dbraw/zinc/88/76/97/1058887697.db2.gz PRMUBLKBVIHNAQ-FUHWJXTLSA-N 1 3 318.505 4.078 20 0 DIADHO CC[C@@H](C)C[C@H](CC)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246381921 1058887908 /nfs/dbraw/zinc/88/79/08/1058887908.db2.gz UTSMYKHEVAFXNV-AEFFLSMTSA-N 1 3 320.496 4.295 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccc3C)CC2)CCN1 ZINC001246383379 1058888816 /nfs/dbraw/zinc/88/88/16/1058888816.db2.gz ITLPHGACKANCHB-WOJBJXKFSA-N 1 3 314.517 4.218 20 0 DIADHO CC[C@@H]1CC(NC2(Cc3ccc(F)cc3)CCC2)C[C@@H](CC)[NH2+]1 ZINC001246388460 1058891694 /nfs/dbraw/zinc/89/16/94/1058891694.db2.gz HOOVDFWSCVHWGZ-QZTJIDSGSA-N 1 3 318.480 4.190 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+]CC(C)(C)Cc2ccc(C)cc2)CCN1 ZINC001246386108 1058891817 /nfs/dbraw/zinc/89/18/17/1058891817.db2.gz DVPRMOYTKKXLQC-UXHICEINSA-N 1 3 316.533 4.464 20 0 DIADHO CC1(C)CCC[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CCNCC2)C1 ZINC001246391887 1058898316 /nfs/dbraw/zinc/89/83/16/1058898316.db2.gz PQYLZKQHZZQMDG-GOSISDBHSA-N 1 3 318.480 4.049 20 0 DIADHO CC1(C)CCC[C@H]([NH2+]C2(Cc3ccc(F)cc3)CCNCC2)C1 ZINC001246391889 1058899419 /nfs/dbraw/zinc/89/94/19/1058899419.db2.gz PQYLZKQHZZQMDG-SFHVURJKSA-N 1 3 318.480 4.049 20 0 DIADHO CCCC[C@@H]1C[C@H](NC2(Cc3cccc(F)c3)CCC2)CC[NH2+]1 ZINC001246395367 1058901112 /nfs/dbraw/zinc/90/11/12/1058901112.db2.gz VGCVTQYFZHFMOJ-RTBURBONSA-N 1 3 318.480 4.191 20 0 DIADHO CCCC[C@@H]1C[C@@H](NC2(Cc3cccc(F)c3)CCC2)CC[NH2+]1 ZINC001246395359 1058901767 /nfs/dbraw/zinc/90/17/67/1058901767.db2.gz VGCVTQYFZHFMOJ-MOPGFXCFSA-N 1 3 318.480 4.191 20 0 DIADHO CC[C@@H]1C[C@@H](NC2(c3ccccc3)CCC(F)(F)CC2)CC[NH2+]1 ZINC001246408075 1058910055 /nfs/dbraw/zinc/91/00/55/1058910055.db2.gz UGRFOHNSUVRZFB-SJORKVTESA-N 1 3 322.443 4.211 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCCCc2ccc(Cl)cc2)CCN1 ZINC001246411413 1058915392 /nfs/dbraw/zinc/91/53/92/1058915392.db2.gz DDYOWGLEUCRNRU-ROUUACIJSA-N 1 3 322.924 4.419 20 0 DIADHO Fc1c(Cl)cccc1CCN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246421790 1058916969 /nfs/dbraw/zinc/91/69/69/1058916969.db2.gz PHALJNDQLCTUCT-HNNXBMFYSA-N 1 3 324.871 4.066 20 0 DIADHO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)c1 ZINC001246415252 1058917499 /nfs/dbraw/zinc/91/74/99/1058917499.db2.gz NTSMFWWFVMRYLE-JBACZVJFSA-N 1 3 322.496 4.317 20 0 DIADHO C[C@H]1C[C@H]([NH2+]C2(c3ccccc3F)CCNCC2)CC(C)(C)C1 ZINC001246431855 1058924749 /nfs/dbraw/zinc/92/47/49/1058924749.db2.gz UIWCSYSPSTUCPR-HOTGVXAUSA-N 1 3 318.480 4.209 20 0 DIADHO Cc1ccccc1CC(C)(C)C[NH2+][C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246433871 1058925212 /nfs/dbraw/zinc/92/52/12/1058925212.db2.gz KLJYAWJZIFKHCN-RBUKOAKNSA-N 1 3 316.533 4.320 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH2+]CC(C)(C)Cc2cccc(F)c2)CCN1 ZINC001246433641 1058925281 /nfs/dbraw/zinc/92/52/81/1058925281.db2.gz UBICVYMBUTXRSH-OALUTQOASA-N 1 3 320.496 4.295 20 0 DIADHO CC(C)C1CCC([NH2+]C2(c3ccccc3F)CCNCC2)CC1 ZINC001246430723 1058925622 /nfs/dbraw/zinc/92/56/22/1058925622.db2.gz QNSXOFFGWKRUBN-UHFFFAOYSA-N 1 3 318.480 4.209 20 0 DIADHO Cc1ccccc1CC(C)(C)C[NH2+][C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246433457 1058926803 /nfs/dbraw/zinc/92/68/03/1058926803.db2.gz KLJYAWJZIFKHCN-MOPGFXCFSA-N 1 3 316.533 4.320 20 0 DIADHO CCc1ccc(C[C@@H](C)NC2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC001246432782 1058926914 /nfs/dbraw/zinc/92/69/14/1058926914.db2.gz XUYOEWNESOMTRV-GOSISDBHSA-N 1 3 322.496 4.049 20 0 DIADHO CCCC1CCC([NH2+]C2(c3ccccc3F)CCNCC2)CC1 ZINC001246430770 1058927910 /nfs/dbraw/zinc/92/79/10/1058927910.db2.gz RUNRZABUKIMPEZ-UHFFFAOYSA-N 1 3 318.480 4.353 20 0 DIADHO C[C@H]1CCC[C@@H](NC2(c3cccc(Cl)c3)CC[NH2+]CC2)C1 ZINC001246436978 1058930460 /nfs/dbraw/zinc/93/04/60/1058930460.db2.gz LPAJCEUZHMVHGH-WMLDXEAASA-N 1 3 306.881 4.087 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH2+]CC(C)(C)Cc2ccccc2C)CCN1 ZINC001246435446 1058930700 /nfs/dbraw/zinc/93/07/00/1058930700.db2.gz QPKJADORHXWZIH-PMACEKPBSA-N 1 3 316.533 4.464 20 0 DIADHO C[C@@H]1CC[C@H](NC2(c3cccc(Cl)c3)CC[NH2+]CC2)C[C@H]1C ZINC001246439114 1058931082 /nfs/dbraw/zinc/93/10/82/1058931082.db2.gz UKIRABOSIZPFEX-RKVPGOIHSA-N 1 3 320.908 4.333 20 0 DIADHO CC[C@@H](CC(C)C)[NH2+]C1(Cc2cccc(Cl)c2)CCNCC1 ZINC001246438240 1058931378 /nfs/dbraw/zinc/93/13/78/1058931378.db2.gz RUMWRIHRDDUJOP-SFHVURJKSA-N 1 3 322.924 4.419 20 0 DIADHO CC[C@@H]1CC[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)C1 ZINC001246436034 1058931780 /nfs/dbraw/zinc/93/17/80/1058931780.db2.gz ISMPXDUSDDBQHZ-CRAIPNDOSA-N 1 3 320.908 4.173 20 0 DIADHO Cc1ccc(CC[C@H](C)[NH2+]C2(CC3CCC3)CCNCC2)cc1 ZINC001246447832 1058936746 /nfs/dbraw/zinc/93/67/46/1058936746.db2.gz RRYWEGJANAQIHZ-SFHVURJKSA-N 1 3 314.517 4.218 20 0 DIADHO CC[C@@H](N[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccc(C)cc1 ZINC001246459620 1058945260 /nfs/dbraw/zinc/94/52/60/1058945260.db2.gz BZTBFZPVBCBYDB-FDFHNCONSA-N 1 3 322.496 4.399 20 0 DIADHO CC[C@@H]([NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1)c1ccc(C)cc1 ZINC001246459620 1058945281 /nfs/dbraw/zinc/94/52/81/1058945281.db2.gz BZTBFZPVBCBYDB-FDFHNCONSA-N 1 3 322.496 4.399 20 0 DIADHO CCCC[C@H](CCC)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246463139 1058950356 /nfs/dbraw/zinc/95/03/56/1058950356.db2.gz OYRMDOAANHBSPT-IBGZPJMESA-N 1 3 320.496 4.439 20 0 DIADHO c1ccc2c(c1)-c1ccccc1C2C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246471125 1058956039 /nfs/dbraw/zinc/95/60/39/1058956039.db2.gz RETSIWCYGRFVKC-BJWYYQGGSA-N 1 3 318.464 4.062 20 0 DIADHO Clc1ccc(C2CCC([NH2+][C@@H]3CCNCC34CC4)CC2)cc1 ZINC001246473657 1058959872 /nfs/dbraw/zinc/95/98/72/1058959872.db2.gz MKSOKMUQBCMENZ-VMWRSERWSA-N 1 3 318.892 4.098 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246496593 1058970412 /nfs/dbraw/zinc/97/04/12/1058970412.db2.gz OUUDEHPQRZLKMZ-WFXMLNOXSA-N 1 3 322.496 4.327 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246508005 1058977245 /nfs/dbraw/zinc/97/72/45/1058977245.db2.gz CKICVOLRAFZWLV-HAGHYFMRSA-N 1 3 314.517 4.469 20 0 DIADHO CC(C)[C@H]([NH2+]C1CCC(c2ccc(Cl)cc2)CC1)C1CNC1 ZINC001246521074 1058983654 /nfs/dbraw/zinc/98/36/54/1058983654.db2.gz YXIRSUFHCBEILJ-PPSBMQLTSA-N 1 3 320.908 4.200 20 0 DIADHO CC(C)(C)[C@H]1C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)CCN1 ZINC001246521116 1058984185 /nfs/dbraw/zinc/98/41/85/1058984185.db2.gz WJDHLDWHTQQVRE-WOJBJXKFSA-N 1 3 314.517 4.108 20 0 DIADHO CC[C@@H]1C[C@@H]([NH+]2CCC(CCCc3ccccc3)CC2)CCN1 ZINC001246536411 1058986871 /nfs/dbraw/zinc/98/68/71/1058986871.db2.gz PLBIUQGLNMQDFT-RTWAWAEBSA-N 1 3 314.517 4.252 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@](C)(N)C1 ZINC001246540171 1058991454 /nfs/dbraw/zinc/99/14/54/1058991454.db2.gz LGYMPQCFYLWNAE-WBMJQRKESA-N 1 3 315.288 4.128 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@](C)(N)C1 ZINC001246540171 1058991478 /nfs/dbraw/zinc/99/14/78/1058991478.db2.gz LGYMPQCFYLWNAE-WBMJQRKESA-N 1 3 315.288 4.128 20 0 DIADHO Fc1ccc([C@@H]2CCCN2[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001246564505 1059005673 /nfs/dbraw/zinc/00/56/73/1059005673.db2.gz XOIGMZCMAXRNQW-ACRUOGEOSA-N 1 3 324.443 4.456 20 0 DIADHO CCc1ccc(C[C@H](C)[N@H+](C(C)C)[C@H]2CCCNCC2)cc1 ZINC001246581771 1059012315 /nfs/dbraw/zinc/01/23/15/1059012315.db2.gz AMEAVHPKDGXVOO-PXNSSMCTSA-N 1 3 302.506 4.033 20 0 DIADHO CCc1ccc(C[C@H](C)[N@@H+](C(C)C)[C@H]2CCCNCC2)cc1 ZINC001246581771 1059012337 /nfs/dbraw/zinc/01/23/37/1059012337.db2.gz AMEAVHPKDGXVOO-PXNSSMCTSA-N 1 3 302.506 4.033 20 0 DIADHO Cc1ccc(CC[C@@H](C)[N@@H+](C(C)C)[C@@H]2CCCNCC2)cc1 ZINC001246581808 1059012725 /nfs/dbraw/zinc/01/27/25/1059012725.db2.gz AWEMXCGDUDCYMX-UYAOXDASSA-N 1 3 302.506 4.169 20 0 DIADHO Cc1ccc(CC[C@@H](C)[N@H+](C(C)C)[C@@H]2CCCNCC2)cc1 ZINC001246581808 1059012747 /nfs/dbraw/zinc/01/27/47/1059012747.db2.gz AWEMXCGDUDCYMX-UYAOXDASSA-N 1 3 302.506 4.169 20 0 DIADHO CC(C)[N@H+]([C@H]1CC[C@@H](c2ccccc2)C1)[C@H]1CCCNCC1 ZINC001246590733 1059014655 /nfs/dbraw/zinc/01/46/55/1059014655.db2.gz HVFDOLAQNVNRJG-AABGKKOBSA-N 1 3 300.490 4.175 20 0 DIADHO CC(C)[N@@H+]([C@H]1CC[C@@H](c2ccccc2)C1)[C@H]1CCCNCC1 ZINC001246590733 1059014675 /nfs/dbraw/zinc/01/46/75/1059014675.db2.gz HVFDOLAQNVNRJG-AABGKKOBSA-N 1 3 300.490 4.175 20 0 DIADHO c1ccc(C[N@H+](C2CCCCC2)[C@@H]2CCNC3(CCC3)C2)cc1 ZINC001246595791 1059017266 /nfs/dbraw/zinc/01/72/66/1059017266.db2.gz IOYUJECUDFPTFC-HXUWFJFHSA-N 1 3 312.501 4.496 20 0 DIADHO c1ccc(C[N@@H+](C2CCCCC2)[C@@H]2CCNC3(CCC3)C2)cc1 ZINC001246595791 1059017282 /nfs/dbraw/zinc/01/72/82/1059017282.db2.gz IOYUJECUDFPTFC-HXUWFJFHSA-N 1 3 312.501 4.496 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1C[C@@H](CN)CC[C@H]1C ZINC001246593660 1059019466 /nfs/dbraw/zinc/01/94/66/1059019466.db2.gz SINXNHIFWRBTPP-BZUAXINKSA-N 1 3 324.534 4.129 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H](CN)CC[C@H]1C ZINC001246593660 1059019486 /nfs/dbraw/zinc/01/94/86/1059019486.db2.gz SINXNHIFWRBTPP-BZUAXINKSA-N 1 3 324.534 4.129 20 0 DIADHO CC[C@@H]1C[C@@H]([NH+]2CCC(Cc3cccc(Cl)c3)CC2)CCN1 ZINC001246601326 1059022668 /nfs/dbraw/zinc/02/26/68/1059022668.db2.gz UUDCDWRUIBTYNX-MOPGFXCFSA-N 1 3 320.908 4.125 20 0 DIADHO CC[C@@H]1C[C@@H](N2CCC(Cc3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246601326 1059022690 /nfs/dbraw/zinc/02/26/90/1059022690.db2.gz UUDCDWRUIBTYNX-MOPGFXCFSA-N 1 3 320.908 4.125 20 0 DIADHO CC[C@H]1C[C@H](N2CCC(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246602883 1059023679 /nfs/dbraw/zinc/02/36/79/1059023679.db2.gz QGJNOBZLLHYAKG-ZWKOTPCHSA-N 1 3 306.881 4.050 20 0 DIADHO c1ccc([C@@H]2CCC[C@@H](N3CCC4(CCCC[NH2+]4)CC3)C2)cc1 ZINC001246611358 1059026098 /nfs/dbraw/zinc/02/60/98/1059026098.db2.gz PDFBNDUGVLNUKI-WOJBJXKFSA-N 1 3 312.501 4.321 20 0 DIADHO c1ccc([C@@H]2CCC[C@@H]([N@@H+]3CCC[C@]4(CCCNC4)C3)C2)cc1 ZINC001246610642 1059027012 /nfs/dbraw/zinc/02/70/12/1059027012.db2.gz QSMTZDDAIMYWJT-NJYVYQBISA-N 1 3 312.501 4.178 20 0 DIADHO c1ccc([C@@H]2CCC[C@@H]([N@H+]3CCC[C@]4(CCCNC4)C3)C2)cc1 ZINC001246610642 1059027037 /nfs/dbraw/zinc/02/70/37/1059027037.db2.gz QSMTZDDAIMYWJT-NJYVYQBISA-N 1 3 312.501 4.178 20 0 DIADHO CCCC[C@@H]1C[C@H](N2CCC3(C=Cc4ccccc43)CC2)CC[NH2+]1 ZINC001246648193 1059049331 /nfs/dbraw/zinc/04/93/31/1059049331.db2.gz PAQKFPNJWXDISQ-WOJBJXKFSA-N 1 3 324.512 4.358 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH+]2CCC3(C=Cc4ccccc43)CC2)CCN1 ZINC001246648193 1059049351 /nfs/dbraw/zinc/04/93/51/1059049351.db2.gz PAQKFPNJWXDISQ-WOJBJXKFSA-N 1 3 324.512 4.358 20 0 DIADHO CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCCCC12CCNCC2 ZINC001246649356 1059049844 /nfs/dbraw/zinc/04/98/44/1059049844.db2.gz XTNWMBZRSXOCTO-HXUWFJFHSA-N 1 3 314.517 4.252 20 0 DIADHO CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCCCC12CCNCC2 ZINC001246649356 1059049867 /nfs/dbraw/zinc/04/98/67/1059049867.db2.gz XTNWMBZRSXOCTO-HXUWFJFHSA-N 1 3 314.517 4.252 20 0 DIADHO CCCCCC[C@H](CCC)N1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246658049 1059054513 /nfs/dbraw/zinc/05/45/13/1059054513.db2.gz SUQDPTSUJSTWAN-JYJNAYRXSA-N 1 3 320.443 4.209 20 0 DIADHO CCC[C@H](Cc1ccccc1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001246655779 1059054584 /nfs/dbraw/zinc/05/45/84/1059054584.db2.gz ZZSUXRCDXCXYRN-UXHICEINSA-N 1 3 300.490 4.006 20 0 DIADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CCCC[C@@]12CCCNC2 ZINC001246655779 1059054602 /nfs/dbraw/zinc/05/46/02/1059054602.db2.gz ZZSUXRCDXCXYRN-UXHICEINSA-N 1 3 300.490 4.006 20 0 DIADHO CCC[C@H](Cc1ccccc1)[N@H+]1CCCC[C@@]12CCCNC2 ZINC001246655779 1059054625 /nfs/dbraw/zinc/05/46/25/1059054625.db2.gz ZZSUXRCDXCXYRN-UXHICEINSA-N 1 3 300.490 4.006 20 0 DIADHO CCCC[C@H](CC)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246673547 1059056955 /nfs/dbraw/zinc/05/69/55/1059056955.db2.gz PHRMGZXASFMIJE-PCCBWWKXSA-N 1 3 314.517 4.208 20 0 DIADHO CCCC[C@H](CC)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246673547 1059056980 /nfs/dbraw/zinc/05/69/80/1059056980.db2.gz PHRMGZXASFMIJE-PCCBWWKXSA-N 1 3 314.517 4.208 20 0 DIADHO CC1(C)CCC[C@@H](N2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)C1 ZINC001246674954 1059058458 /nfs/dbraw/zinc/05/84/58/1059058458.db2.gz PHDWJWRGUOUUHC-SFHLNBCPSA-N 1 3 312.501 4.177 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2c2ccccc2C)CCN1 ZINC001246681392 1059064137 /nfs/dbraw/zinc/06/41/37/1059064137.db2.gz OBQOWYHEGKSHHT-QWFCFKBJSA-N 1 3 300.490 4.443 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2ccccc2C)CCN1 ZINC001246681392 1059064158 /nfs/dbraw/zinc/06/41/58/1059064158.db2.gz OBQOWYHEGKSHHT-QWFCFKBJSA-N 1 3 300.490 4.443 20 0 DIADHO CCCCCC1CCC([N@@H+]2C[C@H](CF)[C@H](C3(N)CC3)C2)CC1 ZINC001246698369 1059068351 /nfs/dbraw/zinc/06/83/51/1059068351.db2.gz XTAMOQGKCYPVFO-JYSRZZCRSA-N 1 3 310.501 4.134 20 0 DIADHO CCCCCC1CCC([N@H+]2C[C@H](CF)[C@H](C3(N)CC3)C2)CC1 ZINC001246698369 1059068374 /nfs/dbraw/zinc/06/83/74/1059068374.db2.gz XTAMOQGKCYPVFO-JYSRZZCRSA-N 1 3 310.501 4.134 20 0 DIADHO CN(Cc1cccc2ccccc21)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246775518 1059073342 /nfs/dbraw/zinc/07/33/42/1059073342.db2.gz IXRVZEILBJHBDC-AZUAARDMSA-N 1 3 310.485 4.438 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246776542 1059078650 /nfs/dbraw/zinc/07/86/50/1059078650.db2.gz OBQCPAYPOHZMAV-AQNXPRMDSA-N 1 3 314.517 4.108 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246776542 1059078670 /nfs/dbraw/zinc/07/86/70/1059078670.db2.gz OBQCPAYPOHZMAV-AQNXPRMDSA-N 1 3 314.517 4.108 20 0 DIADHO NC[C@H]1CCC[N@@H+](C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001246783452 1059081531 /nfs/dbraw/zinc/08/15/31/1059081531.db2.gz XPPQZNNBCFOVCN-MXWWQKGMSA-N 1 3 306.881 4.037 20 0 DIADHO NC[C@H]1CCC[N@H+](C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001246783452 1059081551 /nfs/dbraw/zinc/08/15/51/1059081551.db2.gz XPPQZNNBCFOVCN-MXWWQKGMSA-N 1 3 306.881 4.037 20 0 DIADHO CCCC[C@@H]1C[C@H](N2CCC[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246779758 1059082228 /nfs/dbraw/zinc/08/22/28/1059082228.db2.gz UHUQBVLVVHTLPQ-VAMGGRTRSA-N 1 3 300.490 4.177 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246779758 1059082242 /nfs/dbraw/zinc/08/22/42/1059082242.db2.gz UHUQBVLVVHTLPQ-VAMGGRTRSA-N 1 3 300.490 4.177 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246779758 1059082262 /nfs/dbraw/zinc/08/22/62/1059082262.db2.gz UHUQBVLVVHTLPQ-VAMGGRTRSA-N 1 3 300.490 4.177 20 0 DIADHO CC[C@@H]1C[C@@H](N2CCC(c3ccc(F)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246785076 1059088058 /nfs/dbraw/zinc/08/80/58/1059088058.db2.gz JUDYLBUKTXQPMB-ACDBMABISA-N 1 3 318.480 4.314 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H](N2CCC(c3cccs3)CC2)CC[NH2+]1 ZINC001246788727 1059091631 /nfs/dbraw/zinc/09/16/31/1059091631.db2.gz IETRGQYXRFAREQ-DOTOQJQBSA-N 1 3 306.519 4.094 20 0 DIADHO C[C@H]1CC(N2CCc3ccccc3[C@@H]2c2ccccc2)C[C@H](C)[NH2+]1 ZINC001246807599 1059102647 /nfs/dbraw/zinc/10/26/47/1059102647.db2.gz SLJQWJOHIJVMRZ-HOIFWPIMSA-N 1 3 320.480 4.163 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@H](N)CC[C@H]1C ZINC001246818426 1059110583 /nfs/dbraw/zinc/11/05/83/1059110583.db2.gz BYJCSQSGOBORTL-YRGRVCCFSA-N 1 3 315.288 4.126 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1C[C@H](N)CC[C@H]1C ZINC001246818426 1059110587 /nfs/dbraw/zinc/11/05/87/1059110587.db2.gz BYJCSQSGOBORTL-YRGRVCCFSA-N 1 3 315.288 4.126 20 0 DIADHO CC[C@H]1C[C@@H](N(CCc2ccccc2)Cc2ccccc2)CC[NH2+]1 ZINC001246838898 1059119937 /nfs/dbraw/zinc/11/99/37/1059119937.db2.gz KDIGYYMCLXMUHC-VXKWHMMOSA-N 1 3 322.496 4.262 20 0 DIADHO CC[C@H]1C[C@@H]([N@H+](CCc2ccccc2)Cc2ccccc2)CCN1 ZINC001246838898 1059119949 /nfs/dbraw/zinc/11/99/49/1059119949.db2.gz KDIGYYMCLXMUHC-VXKWHMMOSA-N 1 3 322.496 4.262 20 0 DIADHO CC[C@H]1C[C@@H]([N@@H+](CCc2ccccc2)Cc2ccccc2)CCN1 ZINC001246838898 1059119962 /nfs/dbraw/zinc/11/99/62/1059119962.db2.gz KDIGYYMCLXMUHC-VXKWHMMOSA-N 1 3 322.496 4.262 20 0 DIADHO CC(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@H](c3ccccc3)CC2)CCN1 ZINC001246843043 1059124476 /nfs/dbraw/zinc/12/44/76/1059124476.db2.gz DKZJPKFXMSKNRV-ZCNNSNEGSA-N 1 3 300.490 4.033 20 0 DIADHO CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H](c3ccccc3)CC2)CCN1 ZINC001246843043 1059124482 /nfs/dbraw/zinc/12/44/82/1059124482.db2.gz DKZJPKFXMSKNRV-ZCNNSNEGSA-N 1 3 300.490 4.033 20 0 DIADHO CC[C@@H]1C[C@H](N2CCC[C@H]2c2cccc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246849090 1059128388 /nfs/dbraw/zinc/12/83/88/1059128388.db2.gz PWPZPQYHOTWWDS-XFKSJGNHSA-N 1 3 316.489 4.141 20 0 DIADHO Fc1ccc([C@@H]2CCN([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)cc1 ZINC001246848190 1059129387 /nfs/dbraw/zinc/12/93/87/1059129387.db2.gz MOWIVDNPIKGPMC-IEBWSBKVSA-N 1 3 316.464 4.070 20 0 DIADHO CC[C@H]1c2ccccc2CCN1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246863795 1059138353 /nfs/dbraw/zinc/13/83/53/1059138353.db2.gz GIUMMILGSHYJNG-ICSRJNTNSA-N 1 3 312.501 4.451 20 0 DIADHO C[C@@H]1C[C@@H](N2[C@@H]3Cc4ccccc4[C@@]2(C)c2ccccc23)CC[NH2+]1 ZINC001246876885 1059145601 /nfs/dbraw/zinc/14/56/01/1059145601.db2.gz DBJDDGGAXTXZSC-HKHXBQBMSA-N 1 3 318.464 4.003 20 0 DIADHO C[C@@H]1C[C@@H]([N@@H+]2[C@@H]3Cc4ccccc4[C@@]2(C)c2ccccc23)CCN1 ZINC001246876885 1059145607 /nfs/dbraw/zinc/14/56/07/1059145607.db2.gz DBJDDGGAXTXZSC-HKHXBQBMSA-N 1 3 318.464 4.003 20 0 DIADHO C[C@@H]1C[C@@H]([N@H+]2[C@@H]3Cc4ccccc4[C@@]2(C)c2ccccc23)CCN1 ZINC001246876885 1059145608 /nfs/dbraw/zinc/14/56/08/1059145608.db2.gz DBJDDGGAXTXZSC-HKHXBQBMSA-N 1 3 318.464 4.003 20 0 DIADHO C[C@H]1C[C@H]([N@H+](C)CCC(c2ccccc2)c2ccccc2)CCN1 ZINC001246884074 1059149505 /nfs/dbraw/zinc/14/95/05/1059149505.db2.gz SLJHJWPJQCGICY-GHTZIAJQSA-N 1 3 322.496 4.281 20 0 DIADHO C[C@H]1C[C@H]([N@@H+](C)CCC(c2ccccc2)c2ccccc2)CCN1 ZINC001246884074 1059149510 /nfs/dbraw/zinc/14/95/10/1059149510.db2.gz SLJHJWPJQCGICY-GHTZIAJQSA-N 1 3 322.496 4.281 20 0 DIADHO CSc1ccccc1[C@@H]1CCC[N@@H+]1[C@@H]1CCNC(C)(C)C1 ZINC001246886159 1059150209 /nfs/dbraw/zinc/15/02/09/1059150209.db2.gz HGOZIYNNDLNBMC-ZBFHGGJFSA-N 1 3 304.503 4.076 20 0 DIADHO CSc1ccccc1[C@@H]1CCC[N@H+]1[C@@H]1CCNC(C)(C)C1 ZINC001246886159 1059150214 /nfs/dbraw/zinc/15/02/14/1059150214.db2.gz HGOZIYNNDLNBMC-ZBFHGGJFSA-N 1 3 304.503 4.076 20 0 DIADHO CSc1ccccc1[C@@H]1CCCN1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246886159 1059150220 /nfs/dbraw/zinc/15/02/20/1059150220.db2.gz HGOZIYNNDLNBMC-ZBFHGGJFSA-N 1 3 304.503 4.076 20 0 DIADHO CSc1ccccc1[C@@H]1CCC[N@@H+]1C1C[C@H](C)N[C@@H](C)C1 ZINC001246889639 1059154883 /nfs/dbraw/zinc/15/48/83/1059154883.db2.gz RJEGRFJFJZFKKR-ZQIUZPCESA-N 1 3 304.503 4.074 20 0 DIADHO CSc1ccccc1[C@@H]1CCC[N@H+]1C1C[C@H](C)N[C@@H](C)C1 ZINC001246889639 1059154896 /nfs/dbraw/zinc/15/48/96/1059154896.db2.gz RJEGRFJFJZFKKR-ZQIUZPCESA-N 1 3 304.503 4.074 20 0 DIADHO CSc1ccccc1[C@@H]1CCCN1C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246889639 1059154912 /nfs/dbraw/zinc/15/49/12/1059154912.db2.gz RJEGRFJFJZFKKR-ZQIUZPCESA-N 1 3 304.503 4.074 20 0 DIADHO CCCC[C@H]1C[C@H]([N@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246894425 1059159567 /nfs/dbraw/zinc/15/95/67/1059159567.db2.gz TYEUWUFXSCETNB-RBUKOAKNSA-N 1 3 302.506 4.250 20 0 DIADHO CCCC[C@H]1C[C@H]([N@@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246894425 1059159588 /nfs/dbraw/zinc/15/95/88/1059159588.db2.gz TYEUWUFXSCETNB-RBUKOAKNSA-N 1 3 302.506 4.250 20 0 DIADHO Fc1ccc([C@H]2CCCN2[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC001246896365 1059160316 /nfs/dbraw/zinc/16/03/16/1059160316.db2.gz XOIGMZCMAXRNQW-PWRODBHTSA-N 1 3 324.443 4.456 20 0 DIADHO Fc1ccc([C@H]2CCCN2[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC001246896363 1059160635 /nfs/dbraw/zinc/16/06/35/1059160635.db2.gz XOIGMZCMAXRNQW-NJDAHSKKSA-N 1 3 324.443 4.456 20 0 DIADHO C[N@H+]([C@@H]1CCN[C@@H](C(C)(C)C)C1)C(C)(C)Cc1ccccc1 ZINC001246895770 1059160655 /nfs/dbraw/zinc/16/06/55/1059160655.db2.gz YANVJHZBEJENOJ-QZTJIDSGSA-N 1 3 302.506 4.106 20 0 DIADHO C[N@@H+]([C@@H]1CCN[C@@H](C(C)(C)C)C1)C(C)(C)Cc1ccccc1 ZINC001246895770 1059160657 /nfs/dbraw/zinc/16/06/57/1059160657.db2.gz YANVJHZBEJENOJ-QZTJIDSGSA-N 1 3 302.506 4.106 20 0 DIADHO C[C@@H]1CC[C@@H]([N@H+](Cc2cccc(F)c2)C2CCNCC2)C[C@H]1C ZINC001246936337 1059183013 /nfs/dbraw/zinc/18/30/13/1059183013.db2.gz IZZQHCLQCDLVEG-JXXFODFXSA-N 1 3 318.480 4.204 20 0 DIADHO C[C@@H]1CC[C@@H]([N@@H+](Cc2cccc(F)c2)C2CCNCC2)C[C@H]1C ZINC001246936337 1059183030 /nfs/dbraw/zinc/18/30/30/1059183030.db2.gz IZZQHCLQCDLVEG-JXXFODFXSA-N 1 3 318.480 4.204 20 0 DIADHO C[C@@H]1CC[C@H]([N@H+](Cc2cccc(F)c2)C2CCNCC2)C[C@@H]1C ZINC001246936335 1059185976 /nfs/dbraw/zinc/18/59/76/1059185976.db2.gz IZZQHCLQCDLVEG-GUXCAODWSA-N 1 3 318.480 4.204 20 0 DIADHO C[C@@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)C2CCNCC2)C[C@@H]1C ZINC001246936335 1059185986 /nfs/dbraw/zinc/18/59/86/1059185986.db2.gz IZZQHCLQCDLVEG-GUXCAODWSA-N 1 3 318.480 4.204 20 0 DIADHO CCCCC[C@@H](C)[N@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001246943703 1059188644 /nfs/dbraw/zinc/18/86/44/1059188644.db2.gz SDBUWHLWFSGZGN-MRXNPFEDSA-N 1 3 306.469 4.349 20 0 DIADHO CCCCC[C@@H](C)[N@@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001246943703 1059188674 /nfs/dbraw/zinc/18/86/74/1059188674.db2.gz SDBUWHLWFSGZGN-MRXNPFEDSA-N 1 3 306.469 4.349 20 0 DIADHO CCCCC[C@@H](C)N(Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246943703 1059188698 /nfs/dbraw/zinc/18/86/98/1059188698.db2.gz SDBUWHLWFSGZGN-MRXNPFEDSA-N 1 3 306.469 4.349 20 0 DIADHO C[C@@H]1CC([N@H+](Cc2cccc(F)c2)C2CCNCC2)C[C@@H](C)C1 ZINC001246944218 1059190631 /nfs/dbraw/zinc/19/06/31/1059190631.db2.gz VIJKYGCAJIGFID-HOTGVXAUSA-N 1 3 318.480 4.204 20 0 DIADHO C[C@@H]1CC([N@@H+](Cc2cccc(F)c2)C2CCNCC2)C[C@@H](C)C1 ZINC001246944218 1059190642 /nfs/dbraw/zinc/19/06/42/1059190642.db2.gz VIJKYGCAJIGFID-HOTGVXAUSA-N 1 3 318.480 4.204 20 0 DIADHO Cc1cc(F)cc(C[N@H+](C2CCNCC2)C2CCC(C)CC2)c1 ZINC001246951517 1059193402 /nfs/dbraw/zinc/19/34/02/1059193402.db2.gz KUTZSHBFKNSYGZ-UHFFFAOYSA-N 1 3 318.480 4.267 20 0 DIADHO Cc1cc(F)cc(C[N@@H+](C2CCNCC2)C2CCC(C)CC2)c1 ZINC001246951517 1059193418 /nfs/dbraw/zinc/19/34/18/1059193418.db2.gz KUTZSHBFKNSYGZ-UHFFFAOYSA-N 1 3 318.480 4.267 20 0 DIADHO Cc1cc(F)ccc1C[N@H+]([C@@H]1CCC(C)(C)C1)C1CCNCC1 ZINC001246961344 1059205168 /nfs/dbraw/zinc/20/51/68/1059205168.db2.gz QWAUUTCBWHYMSC-LJQANCHMSA-N 1 3 318.480 4.267 20 0 DIADHO Cc1cc(F)ccc1C[N@@H+]([C@@H]1CCC(C)(C)C1)C1CCNCC1 ZINC001246961344 1059205190 /nfs/dbraw/zinc/20/51/90/1059205190.db2.gz QWAUUTCBWHYMSC-LJQANCHMSA-N 1 3 318.480 4.267 20 0 DIADHO CCCC[C@H]1C[C@@H](N(Cc2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246956959 1059206869 /nfs/dbraw/zinc/20/68/69/1059206869.db2.gz BKVGGMHNTLGCDC-ICSRJNTNSA-N 1 3 300.490 4.352 20 0 DIADHO CC[C@@H]1CC[C@@H]([N@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246963878 1059207417 /nfs/dbraw/zinc/20/74/17/1059207417.db2.gz ZUQUPPFBABLZIX-OXQOHEQNSA-N 1 3 318.480 4.267 20 0 DIADHO CC[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246963878 1059207438 /nfs/dbraw/zinc/20/74/38/1059207438.db2.gz ZUQUPPFBABLZIX-OXQOHEQNSA-N 1 3 318.480 4.267 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[N@H+](CCC)[C@@H]1CCN[C@@H](C)C1 ZINC001246975277 1059215657 /nfs/dbraw/zinc/21/56/57/1059215657.db2.gz BNSDPRXJMGOJIA-YSIASYRMSA-N 1 3 302.506 4.250 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)[C@@H]1CCN[C@@H](C)C1 ZINC001246975277 1059215678 /nfs/dbraw/zinc/21/56/78/1059215678.db2.gz BNSDPRXJMGOJIA-YSIASYRMSA-N 1 3 302.506 4.250 20 0 DIADHO C([C@H]1CCCNC1)[N@H+](C1CC1)[C@@H]1CCCC2(CCCCC2)C1 ZINC001246971894 1059219442 /nfs/dbraw/zinc/21/94/42/1059219442.db2.gz ISVVNHHDBLVTLV-PKOBYXMFSA-N 1 3 304.522 4.344 20 0 DIADHO C([C@H]1CCCNC1)[N@@H+](C1CC1)[C@@H]1CCCC2(CCCCC2)C1 ZINC001246971894 1059219462 /nfs/dbraw/zinc/21/94/62/1059219462.db2.gz ISVVNHHDBLVTLV-PKOBYXMFSA-N 1 3 304.522 4.344 20 0 DIADHO c1ccc(CC[C@@H]2CCC[N@@H+]([C@@H]3CCNC4(CCC4)C3)C2)cc1 ZINC001246980207 1059225416 /nfs/dbraw/zinc/22/54/16/1059225416.db2.gz QFVVEIHJJBNYOW-VQTJNVASSA-N 1 3 312.501 4.006 20 0 DIADHO c1ccc(CC[C@@H]2CCC[N@H+]([C@@H]3CCNC4(CCC4)C3)C2)cc1 ZINC001246980207 1059225434 /nfs/dbraw/zinc/22/54/34/1059225434.db2.gz QFVVEIHJJBNYOW-VQTJNVASSA-N 1 3 312.501 4.006 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CCN1 ZINC001247006237 1059234889 /nfs/dbraw/zinc/23/48/89/1059234889.db2.gz UTIDLTSYUKHMNV-HSALFYBXSA-N 1 3 318.480 4.143 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CCN1 ZINC001247006237 1059234908 /nfs/dbraw/zinc/23/49/08/1059234908.db2.gz UTIDLTSYUKHMNV-HSALFYBXSA-N 1 3 318.480 4.143 20 0 DIADHO Cc1ccccc1[C@H]1CCC[N@@H+]1[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001247001760 1059235509 /nfs/dbraw/zinc/23/55/09/1059235509.db2.gz KZIDPIJCQCPCJL-QRQLOZEOSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccccc1[C@H]1CCC[N@H+]1[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001247001760 1059235528 /nfs/dbraw/zinc/23/55/28/1059235528.db2.gz KZIDPIJCQCPCJL-QRQLOZEOSA-N 1 3 300.490 4.299 20 0 DIADHO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCCN2CCCCC2)o1 ZINC001559568201 1059399337 /nfs/dbraw/zinc/39/93/37/1059399337.db2.gz RXRCPWMVKVFXCN-IEBWSBKVSA-N 1 3 318.505 4.491 20 0 DIADHO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCCN2CCCCC2)o1 ZINC001559568201 1059399359 /nfs/dbraw/zinc/39/93/59/1059399359.db2.gz RXRCPWMVKVFXCN-IEBWSBKVSA-N 1 3 318.505 4.491 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CNCc1cccc2c1CCC2 ZINC001560251761 1060019386 /nfs/dbraw/zinc/01/93/86/1060019386.db2.gz FESAMCNZQNKCPK-UHFFFAOYSA-N 1 3 322.496 4.307 20 0 DIADHO c1ccc([C@@H]2CCCC[C@@H]([NH2+]CCCN3CCCC3)C2)cc1 ZINC001560252282 1060019974 /nfs/dbraw/zinc/01/99/74/1060019974.db2.gz SQXBPWJLXVLXDF-WOJBJXKFSA-N 1 3 300.490 4.178 20 0 DIADHO Cc1cc(C)c(/C=C/C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1C ZINC001560357923 1060146702 /nfs/dbraw/zinc/14/67/02/1060146702.db2.gz AVGKAGBSGQNLRI-CLJKYYQGSA-N 1 3 300.490 4.087 20 0 DIADHO CN1CCCC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3)s2)C1 ZINC001560534423 1060338864 /nfs/dbraw/zinc/33/88/64/1060338864.db2.gz ZZWJXGYIKIGGGK-INIZCTEOSA-N 1 3 314.498 4.237 20 0 DIADHO C[C@@H](C[NH2+]CC[C@@H](C)N(C)C)Cc1ccc(C(C)(C)C)cc1 ZINC001560546762 1060356239 /nfs/dbraw/zinc/35/62/39/1060356239.db2.gz HWGVTDOHCQCFJK-IAGOWNOFSA-N 1 3 304.522 4.093 20 0 DIADHO C[NH+](C)CC[C@H](N[C@@H]1CCCC(C)(C)CC1)c1cccnc1 ZINC001560597628 1060410024 /nfs/dbraw/zinc/41/00/24/1060410024.db2.gz VNPITJUMYKKWPH-MSOLQXFVSA-N 1 3 303.494 4.023 20 0 DIADHO Cc1cccc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC001560749502 1060616354 /nfs/dbraw/zinc/61/63/54/1060616354.db2.gz HRKOZYBALRDYBT-CMKODMSKSA-N 1 3 314.517 4.169 20 0 DIADHO CC(C)(C[NH2+]C1CC(c2ccc(Cl)cc2)C1)CN1CCCC1 ZINC001560806621 1060665820 /nfs/dbraw/zinc/66/58/20/1060665820.db2.gz XEQFEPQWOFQOMT-UHFFFAOYSA-N 1 3 320.908 4.298 20 0 DIADHO C[C@@H]1CC[C@H]1[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001560820955 1060678551 /nfs/dbraw/zinc/67/85/51/1060678551.db2.gz ZWRAMUBINMOPLK-QFUCXCTJSA-N 1 3 314.517 4.313 20 0 DIADHO C[C@@H]1CC[C@H]1[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001560820957 1060679952 /nfs/dbraw/zinc/67/99/52/1060679952.db2.gz ZWRAMUBINMOPLK-YFVAEKQCSA-N 1 3 314.517 4.313 20 0 DIADHO CC1=CC[C@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC001560871865 1060732833 /nfs/dbraw/zinc/73/28/33/1060732833.db2.gz UNXJRDZMMCGHNW-SFTDATJTSA-N 1 3 312.501 4.377 20 0 DIADHO CC(C)C[N@H+](C)CCCNCCc1cc(Cl)cc(Cl)c1 ZINC001560916093 1060776779 /nfs/dbraw/zinc/77/67/79/1060776779.db2.gz DSPHSTZCCFDJKF-UHFFFAOYSA-N 1 3 317.304 4.103 20 0 DIADHO CC(C)C[N@@H+](C)CCCNCCc1cc(Cl)cc(Cl)c1 ZINC001560916093 1060776792 /nfs/dbraw/zinc/77/67/92/1060776792.db2.gz DSPHSTZCCFDJKF-UHFFFAOYSA-N 1 3 317.304 4.103 20 0 DIADHO Cc1ccccc1-c1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC001560972100 1060835785 /nfs/dbraw/zinc/83/57/85/1060835785.db2.gz CUGPDBFQINBTMI-KNQAVFIVSA-N 1 3 320.480 4.188 20 0 DIADHO Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC001560972100 1060835793 /nfs/dbraw/zinc/83/57/93/1060835793.db2.gz CUGPDBFQINBTMI-KNQAVFIVSA-N 1 3 320.480 4.188 20 0 DIADHO CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)CCN(CC)CC ZINC001561055290 1060903539 /nfs/dbraw/zinc/90/35/39/1060903539.db2.gz LNCAYQSMXXLYKD-CRAIPNDOSA-N 1 3 310.913 4.371 20 0 DIADHO CCN(CC)CC[C@@H](C)[NH2+]CCCc1c(F)cccc1Cl ZINC001561055491 1060903776 /nfs/dbraw/zinc/90/37/76/1060903776.db2.gz NUUSLHHKESDSIU-CQSZACIVSA-N 1 3 314.876 4.122 20 0 DIADHO CCN(CC)CC[C@H](C)[NH2+]CCCc1c(F)cccc1Cl ZINC001561055489 1060905812 /nfs/dbraw/zinc/90/58/12/1060905812.db2.gz NUUSLHHKESDSIU-AWEZNQCLSA-N 1 3 314.876 4.122 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC001462205425 1061026952 /nfs/dbraw/zinc/02/69/52/1061026952.db2.gz XKDDOVMJHZAORA-IBGZPJMESA-N 1 3 302.506 4.109 20 0 DIADHO CC[N@H+](CCC1CCN(Cc2ccc(F)cc2)CC1)CC1CC1 ZINC001473304159 1061066882 /nfs/dbraw/zinc/06/68/82/1061066882.db2.gz IPNHCSVUJDRPKL-UHFFFAOYSA-N 1 3 318.480 4.160 20 0 DIADHO CC[N@@H+](CCC1CCN(Cc2ccc(F)cc2)CC1)CC1CC1 ZINC001473304159 1061066894 /nfs/dbraw/zinc/06/68/94/1061066894.db2.gz IPNHCSVUJDRPKL-UHFFFAOYSA-N 1 3 318.480 4.160 20 0 DIADHO Cc1c(C)c(C)c(C[N@H+]2CCC[C@@H](N(C)C)CC2)c(C)c1C ZINC001473380002 1061122745 /nfs/dbraw/zinc/12/27/45/1061122745.db2.gz OEBBURSNSWQIMU-LJQANCHMSA-N 1 3 302.506 4.145 20 0 DIADHO Cc1c(C)c(C)c(C[N@@H+]2CCC[C@@H](N(C)C)CC2)c(C)c1C ZINC001473380002 1061122750 /nfs/dbraw/zinc/12/27/50/1061122750.db2.gz OEBBURSNSWQIMU-LJQANCHMSA-N 1 3 302.506 4.145 20 0 DIADHO Cc1c(C)c(C)c(CN2CCC[C@@H]([NH+](C)C)CC2)c(C)c1C ZINC001473380002 1061122757 /nfs/dbraw/zinc/12/27/57/1061122757.db2.gz OEBBURSNSWQIMU-LJQANCHMSA-N 1 3 302.506 4.145 20 0 DIADHO CC[N@H+](CCCN[C@H]1C[C@@H](OC(C)C)C1(C)C)C1CCCCC1 ZINC001462408117 1061154609 /nfs/dbraw/zinc/15/46/09/1061154609.db2.gz MHAXTOCVKUHMMM-RBUKOAKNSA-N 1 3 324.553 4.213 20 0 DIADHO CC[N@@H+](CCCN[C@H]1C[C@@H](OC(C)C)C1(C)C)C1CCCCC1 ZINC001462408117 1061154620 /nfs/dbraw/zinc/15/46/20/1061154620.db2.gz MHAXTOCVKUHMMM-RBUKOAKNSA-N 1 3 324.553 4.213 20 0 DIADHO C[N@@H+]1CC[C@H](N[C@H](Cc2ccccc2)c2ccccc2)CC1(C)C ZINC001473921465 1061469999 /nfs/dbraw/zinc/46/99/99/1061469999.db2.gz MRCDLQQFXVQKDS-LEWJYISDSA-N 1 3 322.496 4.433 20 0 DIADHO C[N@H+]1CC[C@H](N[C@H](Cc2ccccc2)c2ccccc2)CC1(C)C ZINC001473921465 1061470004 /nfs/dbraw/zinc/47/00/04/1061470004.db2.gz MRCDLQQFXVQKDS-LEWJYISDSA-N 1 3 322.496 4.433 20 0 DIADHO Fc1ccc(Cl)cc1CNC1CCC([NH+]2CCCCC2)CC1 ZINC001474035333 1061579845 /nfs/dbraw/zinc/57/98/45/1061579845.db2.gz GBODHZPCZDNNOB-UHFFFAOYSA-N 1 3 324.871 4.366 20 0 DIADHO Cc1cc(C)c(/C=C/C[NH2+]CC2(CN(C)C)CCCC2)cc1C ZINC001474106264 1061656137 /nfs/dbraw/zinc/65/61/37/1061656137.db2.gz HJFYUPHHTNVHNS-CMDGGOBGSA-N 1 3 314.517 4.337 20 0 DIADHO Cc1cc(C)c(/C=C\C[NH2+]CC2(CN(C)C)CCCC2)cc1C ZINC001474106265 1061656456 /nfs/dbraw/zinc/65/64/56/1061656456.db2.gz HJFYUPHHTNVHNS-HJWRWDBZSA-N 1 3 314.517 4.337 20 0 DIADHO C[C@H](CC[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1)N(C)C ZINC001474224286 1061784161 /nfs/dbraw/zinc/78/41/61/1061784161.db2.gz NELVMBBPNWILDG-CYBMUJFWSA-N 1 3 322.905 4.498 20 0 DIADHO C1=CC[C@H](CN2CCC([NH2+]C3CCC4(CC4)CC3)CC2)CC1 ZINC001254440018 1062103922 /nfs/dbraw/zinc/10/39/22/1062103922.db2.gz LRYNQGBHXPBGDX-KRWDZBQOSA-N 1 3 302.506 4.120 20 0 DIADHO CC[C@H](C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)c1ccccc1 ZINC001474436104 1062112495 /nfs/dbraw/zinc/11/24/95/1062112495.db2.gz WCCKPJKMGVDPNZ-NSHGMRRFSA-N 1 3 314.517 4.423 20 0 DIADHO CN1CCC[C@H]([NH2+]Cc2ccccc2Oc2ccccc2)CC1 ZINC001254500529 1062141867 /nfs/dbraw/zinc/14/18/67/1062141867.db2.gz JHIQZFWWFKMIGB-SFHVURJKSA-N 1 3 310.441 4.053 20 0 DIADHO C[N@@H+]1CCC[C@H](NC(C)(C)c2ccc(C(F)(F)F)cc2)CC1 ZINC001254501299 1062146394 /nfs/dbraw/zinc/14/63/94/1062146394.db2.gz RJVKLMKELLBIAL-HNNXBMFYSA-N 1 3 314.395 4.014 20 0 DIADHO C[N@H+]1CCC[C@H](NC(C)(C)c2ccc(C(F)(F)F)cc2)CC1 ZINC001254501299 1062146402 /nfs/dbraw/zinc/14/64/02/1062146402.db2.gz RJVKLMKELLBIAL-HNNXBMFYSA-N 1 3 314.395 4.014 20 0 DIADHO CC[C@@H](N[C@H]1CCC[N@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC001254510125 1062150496 /nfs/dbraw/zinc/15/04/96/1062150496.db2.gz RXPGPUMDVMCHOW-JKSUJKDBSA-N 1 3 314.395 4.230 20 0 DIADHO CC[C@@H](N[C@H]1CCC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC001254510125 1062150508 /nfs/dbraw/zinc/15/05/08/1062150508.db2.gz RXPGPUMDVMCHOW-JKSUJKDBSA-N 1 3 314.395 4.230 20 0 DIADHO C[N@@H+]1CCC[C@@H](NC(C)(C)c2cccc(C(F)(F)F)c2)CC1 ZINC001254505911 1062150764 /nfs/dbraw/zinc/15/07/64/1062150764.db2.gz LOQLLYOXATUZDI-OAHLLOKOSA-N 1 3 314.395 4.014 20 0 DIADHO C[N@H+]1CCC[C@@H](NC(C)(C)c2cccc(C(F)(F)F)c2)CC1 ZINC001254505911 1062150773 /nfs/dbraw/zinc/15/07/73/1062150773.db2.gz LOQLLYOXATUZDI-OAHLLOKOSA-N 1 3 314.395 4.014 20 0 DIADHO CC(C)CCN1CCC([NH2+]CC2CC(c3ccccc3)C2)CC1 ZINC001474475436 1062153683 /nfs/dbraw/zinc/15/36/83/1062153683.db2.gz BNUXFCUVMCTXLZ-UHFFFAOYSA-N 1 3 314.517 4.280 20 0 DIADHO c1ccc(CN2CCCC[C@H](C[NH2+][C@H]3C[C@@H]4CCC[C@@H]43)C2)cc1 ZINC001474565020 1062267391 /nfs/dbraw/zinc/26/73/91/1062267391.db2.gz PHTJEFQBNCLJPU-ANULTFPQSA-N 1 3 312.501 4.067 20 0 DIADHO CC[N@@H+]1CC[C@@H](N(C)CCSc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001459665709 1062284558 /nfs/dbraw/zinc/28/45/58/1062284558.db2.gz FIZDRKBSOGZZDV-PKOBYXMFSA-N 1 3 320.546 4.058 20 0 DIADHO CC[N@H+]1CC[C@@H](N(C)CCSc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001459665709 1062284576 /nfs/dbraw/zinc/28/45/76/1062284576.db2.gz FIZDRKBSOGZZDV-PKOBYXMFSA-N 1 3 320.546 4.058 20 0 DIADHO CC(C)c1cccc(CN2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1 ZINC001474646496 1062370716 /nfs/dbraw/zinc/37/07/16/1062370716.db2.gz FCSDZBFJXCISHA-XLIONFOSSA-N 1 3 302.506 4.362 20 0 DIADHO CC[C@H](c1ccc(F)cc1F)N1CCC(CCC[NH+](C)C)CC1 ZINC001459765956 1062375825 /nfs/dbraw/zinc/37/58/25/1062375825.db2.gz ZKUYHNHQCHXZGP-LJQANCHMSA-N 1 3 324.459 4.470 20 0 DIADHO CCCC[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001255317404 1062396395 /nfs/dbraw/zinc/39/63/95/1062396395.db2.gz NQVVBVLNVVKJSR-MRXNPFEDSA-N 1 3 306.469 4.206 20 0 DIADHO CC(C)(C)[C@@]1(C[NH+]2CC(C)(C)C2)CCN(Cc2ccccc2)C1 ZINC001474669083 1062400438 /nfs/dbraw/zinc/40/04/38/1062400438.db2.gz WDKBXTILKIVONV-NRFANRHFSA-N 1 3 314.517 4.267 20 0 DIADHO CCCC[C@@H](C)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001255332177 1062406808 /nfs/dbraw/zinc/40/68/08/1062406808.db2.gz KLFGMBWMHPNTSJ-GOSISDBHSA-N 1 3 300.490 4.163 20 0 DIADHO Cc1ccc(CN[C@H]2CCC[N@H+](Cc3ccccc3)CC2)s1 ZINC001255381528 1062421785 /nfs/dbraw/zinc/42/17/85/1062421785.db2.gz PKHYAGZVZXUEMF-SFHVURJKSA-N 1 3 314.498 4.201 20 0 DIADHO Cc1ccc(CN[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)s1 ZINC001255381528 1062421794 /nfs/dbraw/zinc/42/17/94/1062421794.db2.gz PKHYAGZVZXUEMF-SFHVURJKSA-N 1 3 314.498 4.201 20 0 DIADHO c1ccc(CN2CCC[C@H]([N@@H+]3CC[C@H]4CCC[C@H]4C3)CC2)cc1 ZINC001255400042 1062433861 /nfs/dbraw/zinc/43/38/61/1062433861.db2.gz DCPSMGCIIXEOBV-HKBOAZHASA-N 1 3 312.501 4.163 20 0 DIADHO c1ccc(CN2CCC[C@H]([N@H+]3CC[C@H]4CCC[C@H]4C3)CC2)cc1 ZINC001255400042 1062433868 /nfs/dbraw/zinc/43/38/68/1062433868.db2.gz DCPSMGCIIXEOBV-HKBOAZHASA-N 1 3 312.501 4.163 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1(C)C ZINC001255694399 1062520078 /nfs/dbraw/zinc/52/00/78/1062520078.db2.gz OHNXJUYCOYYXSL-QWHCGFSZSA-N 1 3 320.443 4.349 20 0 DIADHO Cc1ccc(C[C@H](C)N[C@@H](CC[NH+](C)C)c2ccccc2)cc1 ZINC001255772158 1062595264 /nfs/dbraw/zinc/59/52/64/1062595264.db2.gz GALVXBDPMBRAGH-RXVVDRJESA-N 1 3 310.485 4.209 20 0 DIADHO CCN(CC)CC[C@H](C)[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC001255948238 1062668648 /nfs/dbraw/zinc/66/86/48/1062668648.db2.gz HXCKBLROTRZNFR-KXBFYZLASA-N 1 3 306.469 4.377 20 0 DIADHO c1ccc([C@H]2CCC[C@H](N3CCC([NH+]4CCCC4)CC3)C2)cc1 ZINC001256114147 1062716564 /nfs/dbraw/zinc/71/65/64/1062716564.db2.gz VMUNGTCDTONIHC-FPOVZHCZSA-N 1 3 312.501 4.273 20 0 DIADHO c1ccc([C@H]2CCC[C@H]([NH+]3CCC(N4CCCC4)CC3)C2)cc1 ZINC001256114147 1062716582 /nfs/dbraw/zinc/71/65/82/1062716582.db2.gz VMUNGTCDTONIHC-FPOVZHCZSA-N 1 3 312.501 4.273 20 0 DIADHO CC(C)CC[C@H](C)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001256370364 1062791266 /nfs/dbraw/zinc/79/12/66/1062791266.db2.gz ICQGUQZMKZBANC-IBGZPJMESA-N 1 3 314.517 4.409 20 0 DIADHO C=Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256527172 1062844949 /nfs/dbraw/zinc/84/49/49/1062844949.db2.gz QQOREEMCGAWGGK-GCJKJVERSA-N 1 3 320.480 4.472 20 0 DIADHO C=Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256527172 1062844973 /nfs/dbraw/zinc/84/49/73/1062844973.db2.gz QQOREEMCGAWGGK-GCJKJVERSA-N 1 3 320.480 4.472 20 0 DIADHO C[C@H]1C[C@H](NC/C=C/c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001256524007 1062845718 /nfs/dbraw/zinc/84/57/18/1062845718.db2.gz UJABLMIHCPDBHJ-SQQDLWTQSA-N 1 3 320.480 4.343 20 0 DIADHO C[C@H]1C[C@H](NC/C=C/c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001256524007 1062845743 /nfs/dbraw/zinc/84/57/43/1062845743.db2.gz UJABLMIHCPDBHJ-SQQDLWTQSA-N 1 3 320.480 4.343 20 0 DIADHO C[C@H]1C[C@@H](N2Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256539871 1062865439 /nfs/dbraw/zinc/86/54/39/1062865439.db2.gz YNNIAIQDAFXWKQ-UWJYYQICSA-N 1 3 306.453 4.055 20 0 DIADHO C[C@H]1C[C@@H](N2Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC001256539871 1062865455 /nfs/dbraw/zinc/86/54/55/1062865455.db2.gz YNNIAIQDAFXWKQ-UWJYYQICSA-N 1 3 306.453 4.055 20 0 DIADHO CC(C)(C)N1CCC([NH2+]CCCc2cccc(Cl)c2)CC1 ZINC001256561844 1062883558 /nfs/dbraw/zinc/88/35/58/1062883558.db2.gz HNMBLSWGBHWYND-UHFFFAOYSA-N 1 3 308.897 4.125 20 0 DIADHO CC(C)(C)N1CCC([NH2+]CC2(C)CCC(F)(F)CC2)CC1 ZINC001256565898 1062887895 /nfs/dbraw/zinc/88/78/95/1062887895.db2.gz BWCHLSMBVSRYID-UHFFFAOYSA-N 1 3 302.453 4.055 20 0 DIADHO CC(C)(C)N1CCC([NH2+]CC(C)(C)Cc2ccccc2F)CC1 ZINC001256566641 1062890781 /nfs/dbraw/zinc/89/07/81/1062890781.db2.gz JXNATLHTRLFRJO-UHFFFAOYSA-N 1 3 320.496 4.247 20 0 DIADHO CC[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(F)c(F)c1 ZINC001256567033 1062891528 /nfs/dbraw/zinc/89/15/28/1062891528.db2.gz RJBHQCAMIMGNRV-QGZVFWFLSA-N 1 3 310.432 4.268 20 0 DIADHO Cc1cccc([C@H]2CCCN2C2CC[NH+](C(C)(C)C)CC2)c1 ZINC001256568914 1062894080 /nfs/dbraw/zinc/89/40/80/1062894080.db2.gz KPXWHYYOXDZLJG-LJQANCHMSA-N 1 3 300.490 4.395 20 0 DIADHO c1ccc(C[NH+]2CCC(N3CC[C@H]4CCCC[C@H]4C3)CC2)cc1 ZINC001256611472 1062919776 /nfs/dbraw/zinc/91/97/76/1062919776.db2.gz SSQUASZNDQHUEF-UXHICEINSA-N 1 3 312.501 4.163 20 0 DIADHO CCC1CCC(N2CCC([NH3+])(c3ccc(F)cc3)CC2)CC1 ZINC001256869192 1063024182 /nfs/dbraw/zinc/02/41/82/1063024182.db2.gz AWBRJRPARWIUAP-UHFFFAOYSA-N 1 3 304.453 4.044 20 0 DIADHO CCOc1ccc([C@@H]2CCCN2C2CC[NH+](C(C)C)CC2)cc1 ZINC001257215918 1063144693 /nfs/dbraw/zinc/14/46/93/1063144693.db2.gz AOXIINCAQOQPQW-FQEVSTJZSA-N 1 3 316.489 4.095 20 0 DIADHO CSc1ccccc1[C@H]1CCCN1C1CC[NH+](C(C)C)CC1 ZINC001257223739 1063147551 /nfs/dbraw/zinc/14/75/51/1063147551.db2.gz AIIONHNYKVBWLD-GOSISDBHSA-N 1 3 318.530 4.418 20 0 DIADHO CCC[C@H](CC)[NH+]1CCC(N)(Cc2cccc(Cl)c2)CC1 ZINC001257253140 1063160427 /nfs/dbraw/zinc/16/04/27/1063160427.db2.gz KVOZMYNYYYYJGY-KRWDZBQOSA-N 1 3 308.897 4.255 20 0 DIADHO CCC(CC)N1CCC([NH3+])(c2ccccc2C(F)(F)F)CC1 ZINC001257291894 1063183966 /nfs/dbraw/zinc/18/39/66/1063183966.db2.gz NNZOWANUQXFLAI-UHFFFAOYSA-N 1 3 314.395 4.144 20 0 DIADHO CCC[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001257311027 1063196563 /nfs/dbraw/zinc/19/65/63/1063196563.db2.gz IAJOTAYGUKNRNG-OAHLLOKOSA-N 1 3 308.897 4.330 20 0 DIADHO Cc1cc(C)c(/C=C/C[NH2+]C2CCN(CC(C)C)CC2)c(C)c1 ZINC001461033482 1063203901 /nfs/dbraw/zinc/20/39/01/1063203901.db2.gz XZVUPHJEALRMRE-VOTSOKGWSA-N 1 3 314.517 4.335 20 0 DIADHO CCCC(CCC)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001257330639 1063213775 /nfs/dbraw/zinc/21/37/75/1063213775.db2.gz UBALFZIHTRHWBT-HNNXBMFYSA-N 1 3 313.283 4.007 20 0 DIADHO CCN1CCC[C@H](C[NH2+]Cc2cccc(C3CCCC3)c2)C1 ZINC001461120779 1063271478 /nfs/dbraw/zinc/27/14/78/1063271478.db2.gz LCIYNWLFCLEEEA-GOSISDBHSA-N 1 3 300.490 4.166 20 0 DIADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001461126484 1063275861 /nfs/dbraw/zinc/27/58/61/1063275861.db2.gz ARCWCMSZVQRKRT-VQIMIIECSA-N 1 3 306.538 4.445 20 0 DIADHO CCC[C@@H](C)CC[C@H](C)N1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001257485972 1063308335 /nfs/dbraw/zinc/30/83/35/1063308335.db2.gz RQBOIUMABPYXQR-MSOLQXFVSA-N 1 3 324.553 4.167 20 0 DIADHO CCC[C@H](C[NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccccc1 ZINC001461170814 1063309439 /nfs/dbraw/zinc/30/94/39/1063309439.db2.gz MVGMKCZSPNHLCU-UYAOXDASSA-N 1 3 302.506 4.280 20 0 DIADHO CCSc1cccc(CN[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC001461188729 1063319366 /nfs/dbraw/zinc/31/93/66/1063319366.db2.gz CBCOCKYHOFOAPU-QGZVFWFLSA-N 1 3 308.535 4.255 20 0 DIADHO C/C(=C/c1ccc(Cl)cc1)CN[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001461257809 1063368115 /nfs/dbraw/zinc/36/81/15/1063368115.db2.gz RKCJBFRJWFLSCJ-FGCJYXMVSA-N 1 3 306.881 4.206 20 0 DIADHO C[NH+](C)[C@H]1CCC[C@H](NCc2ccccc2-c2ccccc2)C1 ZINC001461258244 1063372332 /nfs/dbraw/zinc/37/23/32/1063372332.db2.gz UARVGNDUSJYZMQ-PMACEKPBSA-N 1 3 308.469 4.316 20 0 DIADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC001461258244 1063372342 /nfs/dbraw/zinc/37/23/42/1063372342.db2.gz UARVGNDUSJYZMQ-PMACEKPBSA-N 1 3 308.469 4.316 20 0 DIADHO CC(C)CN1CCC([NH2+]CCc2ccc(C(C)C)cc2)CC1 ZINC001258004690 1063457732 /nfs/dbraw/zinc/45/77/32/1063457732.db2.gz JMYSUJSZNOFEMD-UHFFFAOYSA-N 1 3 302.506 4.063 20 0 DIADHO CC(C)CN1CCC([NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC001258003865 1063459425 /nfs/dbraw/zinc/45/94/25/1063459425.db2.gz XCZOQFXKPOWELC-SFHVURJKSA-N 1 3 306.881 4.037 20 0 DIADHO CC[N@H+](C)C1CCN(C2CCC(c3ccccc3)CC2)CC1 ZINC001257999330 1063459819 /nfs/dbraw/zinc/45/98/19/1063459819.db2.gz FVVFKMYEEHLGCI-UHFFFAOYSA-N 1 3 300.490 4.129 20 0 DIADHO CC[N@@H+](C)C1CCN(C2CCC(c3ccccc3)CC2)CC1 ZINC001257999330 1063459829 /nfs/dbraw/zinc/45/98/29/1063459829.db2.gz FVVFKMYEEHLGCI-UHFFFAOYSA-N 1 3 300.490 4.129 20 0 DIADHO CCN(C)C1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC001257999330 1063459835 /nfs/dbraw/zinc/45/98/35/1063459835.db2.gz FVVFKMYEEHLGCI-UHFFFAOYSA-N 1 3 300.490 4.129 20 0 DIADHO CC(C)CN1CCC([NH2+]CC(C)(C)Cc2cccc(F)c2)CC1 ZINC001258007719 1063460988 /nfs/dbraw/zinc/46/09/88/1063460988.db2.gz PCDPSTNMEARBEW-UHFFFAOYSA-N 1 3 320.496 4.104 20 0 DIADHO CC[C@@H]1c2ccccc2CCN1C1CC[NH+](CC(C)C)CC1 ZINC001258017363 1063466166 /nfs/dbraw/zinc/46/61/66/1063466166.db2.gz FZKDZDRXPBLJMI-HXUWFJFHSA-N 1 3 300.490 4.116 20 0 DIADHO CC(C)CN1CCC([N@H+](C)Cc2ccc3ccccc3c2)CC1 ZINC001258017717 1063467133 /nfs/dbraw/zinc/46/71/33/1063467133.db2.gz MZKAPXPJAKBQFL-UHFFFAOYSA-N 1 3 310.485 4.392 20 0 DIADHO CC(C)CN1CCC([N@@H+](C)Cc2ccc3ccccc3c2)CC1 ZINC001258017717 1063467142 /nfs/dbraw/zinc/46/71/42/1063467142.db2.gz MZKAPXPJAKBQFL-UHFFFAOYSA-N 1 3 310.485 4.392 20 0 DIADHO CC[N@H+]([C@@H]1CCOC1)C1CCN([C@H](C)C[C@H](C)CC(C)C)CC1 ZINC001258075257 1063503458 /nfs/dbraw/zinc/50/34/58/1063503458.db2.gz TXKWKJCLWDYXPS-QWFCFKBJSA-N 1 3 324.553 4.022 20 0 DIADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN([C@H](C)C[C@H](C)CC(C)C)CC1 ZINC001258075257 1063503478 /nfs/dbraw/zinc/50/34/78/1063503478.db2.gz TXKWKJCLWDYXPS-QWFCFKBJSA-N 1 3 324.553 4.022 20 0 DIADHO Cc1cccc(CNC2CC[NH+](CCc3ccccc3)CC2)c1C ZINC001258131906 1063528851 /nfs/dbraw/zinc/52/88/51/1063528851.db2.gz QVHYHOLNBGLUOP-UHFFFAOYSA-N 1 3 322.496 4.100 20 0 DIADHO C[N@@H+]1CC[C@H](NC2(c3ccc(Cl)cc3)CCC2)CC1(C)C ZINC001461507675 1063542661 /nfs/dbraw/zinc/54/26/61/1063542661.db2.gz SJSVWDWTWJBTMG-INIZCTEOSA-N 1 3 306.881 4.182 20 0 DIADHO C[N@H+]1CC[C@H](NC2(c3ccc(Cl)cc3)CCC2)CC1(C)C ZINC001461507675 1063542667 /nfs/dbraw/zinc/54/26/67/1063542667.db2.gz SJSVWDWTWJBTMG-INIZCTEOSA-N 1 3 306.881 4.182 20 0 DIADHO Cc1ccc(-c2ccccc2C[NH2+]C[C@H](C)CN(C)C)c(C)c1 ZINC001461538388 1063566334 /nfs/dbraw/zinc/56/63/34/1063566334.db2.gz FVOPZNIQNGEUJI-KRWDZBQOSA-N 1 3 310.485 4.258 20 0 DIADHO Cc1ccc(-c2ccccc2CNC[C@H](C)C[NH+](C)C)c(C)c1 ZINC001461538388 1063566349 /nfs/dbraw/zinc/56/63/49/1063566349.db2.gz FVOPZNIQNGEUJI-KRWDZBQOSA-N 1 3 310.485 4.258 20 0 DIADHO CSC(C)(C)C[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001258333558 1063615117 /nfs/dbraw/zinc/61/51/17/1063615117.db2.gz NCDSPPAVBSTQII-HNNXBMFYSA-N 1 3 312.567 4.293 20 0 DIADHO CSC(C)(C)C[C@H](C)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001258330745 1063615769 /nfs/dbraw/zinc/61/57/69/1063615769.db2.gz FLICWTKSAMSLGL-IRXDYDNUSA-N 1 3 324.578 4.317 20 0 DIADHO CC(C)[NH+]1CCC(CCNCc2nc(C(C)(C)C)cs2)CC1 ZINC001461671161 1063649601 /nfs/dbraw/zinc/64/96/01/1063649601.db2.gz JVXVWLYDLBBEDW-UHFFFAOYSA-N 1 3 323.550 4.041 20 0 DIADHO CCCCC[C@H](CCC)N1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001258673613 1063742236 /nfs/dbraw/zinc/74/22/36/1063742236.db2.gz MQCWFGRDGDXNJN-FQEVSTJZSA-N 1 3 324.553 4.311 20 0 DIADHO CCCCC[C@H](CCC)N1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001258673613 1063742246 /nfs/dbraw/zinc/74/22/46/1063742246.db2.gz MQCWFGRDGDXNJN-FQEVSTJZSA-N 1 3 324.553 4.311 20 0 DIADHO C[C@H]1C[C@H]([NH+]2CCC(N)(Cc3ccccc3)CC2)CC(C)(C)C1 ZINC001258692205 1063754772 /nfs/dbraw/zinc/75/47/72/1063754772.db2.gz NUMJPHBJMDAHDA-HKUYNNGSSA-N 1 3 314.517 4.237 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001258713162 1063768403 /nfs/dbraw/zinc/76/84/03/1063768403.db2.gz DBBLFMYSZQESHW-QHAWAJNXSA-N 1 3 314.517 4.062 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001258713162 1063768413 /nfs/dbraw/zinc/76/84/13/1063768413.db2.gz DBBLFMYSZQESHW-QHAWAJNXSA-N 1 3 314.517 4.062 20 0 DIADHO C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCCN1CCCC[C@@H]1C ZINC001258738397 1063785865 /nfs/dbraw/zinc/78/58/65/1063785865.db2.gz RGCNVMOIKCQHJF-HOTGVXAUSA-N 1 3 308.897 4.125 20 0 DIADHO CCCC[C@H](CCC)[NH+]1CCC(N)(Cc2ccccc2)CC1 ZINC001258758363 1063804679 /nfs/dbraw/zinc/80/46/79/1063804679.db2.gz DCPNVKMIZYAGHX-IBGZPJMESA-N 1 3 302.506 4.381 20 0 DIADHO C[C@H](CC[NH2+]C[C@@H](C)c1cccc(Cl)c1)N1CCCCC1 ZINC001462080730 1063919020 /nfs/dbraw/zinc/91/90/20/1063919020.db2.gz DBEJTDSMCUFTKB-HZPDHXFCSA-N 1 3 308.897 4.298 20 0 DIADHO CCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379638982 1063985600 /nfs/dbraw/zinc/98/56/00/1063985600.db2.gz VFCXYQNJNHMBOK-PGRDOPGGSA-N 1 3 322.496 4.392 20 0 DIADHO CCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379638982 1063985606 /nfs/dbraw/zinc/98/56/06/1063985606.db2.gz VFCXYQNJNHMBOK-PGRDOPGGSA-N 1 3 322.496 4.392 20 0 DIADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000393946121 1064312622 /nfs/dbraw/zinc/31/26/22/1064312622.db2.gz FYLLLRXBIDTOMQ-NLWGTHIKSA-N 1 3 302.506 4.313 20 0 DIADHO C[NH2+][C@@]12CC[C@@](NCc3ccc4cc(OC)ccc4c3)(C1)CCC2 ZINC001279341706 1064343314 /nfs/dbraw/zinc/34/33/14/1064343314.db2.gz DXYHKKLUMSQKCY-LEWJYISDSA-N 1 3 324.468 4.003 20 0 DIADHO Cc1ccc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)c2ccccc12 ZINC001279443718 1064350996 /nfs/dbraw/zinc/35/09/96/1064350996.db2.gz DAOHOFAUHMRRCU-OAQYLSRUSA-N 1 3 308.469 4.066 20 0 DIADHO Cc1ccc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)c2ccccc12 ZINC001279443718 1064351008 /nfs/dbraw/zinc/35/10/08/1064351008.db2.gz DAOHOFAUHMRRCU-OAQYLSRUSA-N 1 3 308.469 4.066 20 0 DIADHO CC1CC[NH+](C[C@H]2CCCN(CCCC3CCCC3)C2)CC1 ZINC001307440339 1065402075 /nfs/dbraw/zinc/40/20/75/1065402075.db2.gz JRLYEUGCASNPLB-FQEVSTJZSA-N 1 3 306.538 4.401 20 0 DIADHO Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c(C)c1 ZINC001307524791 1065462653 /nfs/dbraw/zinc/46/26/53/1065462653.db2.gz ZUJFNALSTLCEBI-FHWLQOOXSA-N 1 3 300.490 4.089 20 0 DIADHO Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c(C)c1 ZINC001307524791 1065462659 /nfs/dbraw/zinc/46/26/59/1065462659.db2.gz ZUJFNALSTLCEBI-FHWLQOOXSA-N 1 3 300.490 4.089 20 0 DIADHO CN1CCC[C@@H]1CC[NH2+][C@@H](CC1CCCC1)c1ccccc1 ZINC001307634474 1065531287 /nfs/dbraw/zinc/53/12/87/1065531287.db2.gz GRZLIUCWSODFLN-UXHICEINSA-N 1 3 300.490 4.382 20 0 DIADHO C[N@@H+]1CCC[C@@H]1CCN[C@@H](CC1CCCC1)c1ccccc1 ZINC001307634474 1065531301 /nfs/dbraw/zinc/53/13/01/1065531301.db2.gz GRZLIUCWSODFLN-UXHICEINSA-N 1 3 300.490 4.382 20 0 DIADHO C[N@H+]1CCC[C@@H]1CCN[C@@H](CC1CCCC1)c1ccccc1 ZINC001307634474 1065531310 /nfs/dbraw/zinc/53/13/10/1065531310.db2.gz GRZLIUCWSODFLN-UXHICEINSA-N 1 3 300.490 4.382 20 0 DIADHO C[C@H]([NH2+]CC1CCC2(CC2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC001307670757 1065554272 /nfs/dbraw/zinc/55/42/72/1065554272.db2.gz SYQCNGBCJFUODY-FUHWJXTLSA-N 1 3 304.522 4.199 20 0 DIADHO C[C@@H]([NH2+]C[C@@H](C)C1CCCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC001307670004 1065554666 /nfs/dbraw/zinc/55/46/66/1065554666.db2.gz OXQMRPXTUVULGV-LMMKCTJWSA-N 1 3 306.538 4.445 20 0 DIADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc(CC3CCC3)c2)[C@@H](C)C1 ZINC001308567732 1066079244 /nfs/dbraw/zinc/07/92/44/1066079244.db2.gz KLEJUFXXJDBNER-UWJYYQICSA-N 1 3 314.517 4.191 20 0 DIADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc(CC3CCC3)c2)[C@@H](C)C1 ZINC001308567732 1066079256 /nfs/dbraw/zinc/07/92/56/1066079256.db2.gz KLEJUFXXJDBNER-UWJYYQICSA-N 1 3 314.517 4.191 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CCC1 ZINC001308634048 1066128915 /nfs/dbraw/zinc/12/89/15/1066128915.db2.gz DGOASYGZTKDGFJ-LRGNLBRXSA-N 1 3 312.501 4.065 20 0 DIADHO C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001308634206 1066129358 /nfs/dbraw/zinc/12/93/58/1066129358.db2.gz GDEAACGREIMYDS-RZXSNQJFSA-N 1 3 312.501 4.065 20 0 DIADHO CC1=CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001308636138 1066130657 /nfs/dbraw/zinc/13/06/57/1066130657.db2.gz UGQHBTQYYXCXFM-CIAFKFPVSA-N 1 3 324.512 4.376 20 0 DIADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C4CCCCC4)[C@H]3C2)cc1 ZINC001308636363 1066131588 /nfs/dbraw/zinc/13/15/88/1066131588.db2.gz ZRLGMWZMVCKNMO-JBACZVJFSA-N 1 3 312.501 4.209 20 0 DIADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2cccs2)cc1 ZINC001308747208 1066221125 /nfs/dbraw/zinc/22/11/25/1066221125.db2.gz WDOGUABVXHTWCL-QAPCUYQASA-N 1 3 314.498 4.187 20 0 DIADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2cccs2)cc1 ZINC001308747208 1066221140 /nfs/dbraw/zinc/22/11/40/1066221140.db2.gz WDOGUABVXHTWCL-QAPCUYQASA-N 1 3 314.498 4.187 20 0 DIADHO c1ccc(CN2CCCC[C@H](C[NH2+][C@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC001308803768 1066279967 /nfs/dbraw/zinc/27/99/67/1066279967.db2.gz VXMJHOJVYDNSKX-NRSPTQNISA-N 1 3 312.501 4.067 20 0 DIADHO C[C@H](CC[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1)N(C)C ZINC001308882798 1066362323 /nfs/dbraw/zinc/36/23/23/1066362323.db2.gz NBMVPYCYADEOAX-UWWQBHOKSA-N 1 3 308.897 4.296 20 0 DIADHO C[C@@H](CC1CCCCC1)C[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC001308920106 1066399872 /nfs/dbraw/zinc/39/98/72/1066399872.db2.gz ZJXDFJGOBGTCMB-ROUUACIJSA-N 1 3 315.505 4.199 20 0 DIADHO C[C@@H](CC1CCCCC1)C[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC001308920106 1066399879 /nfs/dbraw/zinc/39/98/79/1066399879.db2.gz ZJXDFJGOBGTCMB-ROUUACIJSA-N 1 3 315.505 4.199 20 0 DIADHO CC1=C(C)C[C@H]([C@H](C)N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC001308948303 1066412632 /nfs/dbraw/zinc/41/26/32/1066412632.db2.gz MOJGIMIUIRWULA-NSHGMRRFSA-N 1 3 315.505 4.189 20 0 DIADHO Cc1ccc2cc([C@H](C)NCCC3CC[NH+](C)CC3)oc2c1 ZINC000426037828 335040526 /nfs/dbraw/zinc/04/05/26/335040526.db2.gz VCSIKRDYHYWPTJ-HNNXBMFYSA-N 1 3 300.446 4.124 20 0 DIADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(Cl)cn1 ZINC000274930784 130275215 /nfs/dbraw/zinc/27/52/15/130275215.db2.gz QTPNQWXFZNFNHX-LSDHHAIUSA-N 1 3 309.885 4.040 20 0 DIADHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc(Cl)cn1 ZINC000274930784 130275216 /nfs/dbraw/zinc/27/52/16/130275216.db2.gz QTPNQWXFZNFNHX-LSDHHAIUSA-N 1 3 309.885 4.040 20 0 DIADHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(Cl)cn1 ZINC000274930782 130275230 /nfs/dbraw/zinc/27/52/30/130275230.db2.gz QTPNQWXFZNFNHX-GJZGRUSLSA-N 1 3 309.885 4.040 20 0 DIADHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc(Cl)cn1 ZINC000274930782 130275231 /nfs/dbraw/zinc/27/52/31/130275231.db2.gz QTPNQWXFZNFNHX-GJZGRUSLSA-N 1 3 309.885 4.040 20 0 DIADHO C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000297799246 132034768 /nfs/dbraw/zinc/03/47/68/132034768.db2.gz XGRGBOJFYWLMNG-INIZCTEOSA-N 1 3 321.468 4.026 20 0 DIADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(F)c(Cl)c1 ZINC000171130434 332857314 /nfs/dbraw/zinc/85/73/14/332857314.db2.gz GZIXLZXGTNCDHQ-CYBMUJFWSA-N 1 3 320.839 4.392 20 0 DIADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000537948002 331535110 /nfs/dbraw/zinc/53/51/10/331535110.db2.gz ROCNEGRAWPVJDM-WMLDXEAASA-N 1 3 314.464 4.197 20 0 DIADHO Cc1sccc1CNC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000559273245 332011892 /nfs/dbraw/zinc/01/18/92/332011892.db2.gz KVTLCIRRUPWJOF-WBVHZDCISA-N 1 3 320.527 4.291 20 0 DIADHO Cc1sccc1CNC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000559273245 332011893 /nfs/dbraw/zinc/01/18/93/332011893.db2.gz KVTLCIRRUPWJOF-WBVHZDCISA-N 1 3 320.527 4.291 20 0 DIADHO CC(C)[C@@H]1C[C@@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000448028899 332201343 /nfs/dbraw/zinc/20/13/43/332201343.db2.gz PIDMDSPQWFXCSJ-OOSNJVJTSA-N 1 3 312.501 4.130 20 0 DIADHO CC(C)[C@@H]1C[C@@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000448028899 332201344 /nfs/dbraw/zinc/20/13/44/332201344.db2.gz PIDMDSPQWFXCSJ-OOSNJVJTSA-N 1 3 312.501 4.130 20 0 DIADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c2ccccc21 ZINC000559740344 332278219 /nfs/dbraw/zinc/27/82/19/332278219.db2.gz OJEBHKTWBDNSEI-LSDHHAIUSA-N 1 3 312.432 4.114 20 0 DIADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c2ccccc21 ZINC000559740344 332278220 /nfs/dbraw/zinc/27/82/20/332278220.db2.gz OJEBHKTWBDNSEI-LSDHHAIUSA-N 1 3 312.432 4.114 20 0 DIADHO CCCCOc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000560251970 332323737 /nfs/dbraw/zinc/32/37/37/332323737.db2.gz NELGXSKCYRNDED-SJORKVTESA-N 1 3 316.489 4.000 20 0 DIADHO CCCCOc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000560251970 332323739 /nfs/dbraw/zinc/32/37/39/332323739.db2.gz NELGXSKCYRNDED-SJORKVTESA-N 1 3 316.489 4.000 20 0 DIADHO Cc1nc(C(C)(C)C)sc1[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC000564989424 332384070 /nfs/dbraw/zinc/38/40/70/332384070.db2.gz YXRKQSGVDUZZGA-LBPRGKRZSA-N 1 3 317.502 4.059 20 0 DIADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C3CCC4(CC4)CC3)CC2)C1 ZINC000562580015 332606935 /nfs/dbraw/zinc/60/69/35/332606935.db2.gz MGUMWMZJFGRYDP-QFBILLFUSA-N 1 3 304.522 4.342 20 0 DIADHO [NH3+]CCC[C@H](NCc1ccc(C(F)F)cc1)c1ccccc1 ZINC000562747943 332622188 /nfs/dbraw/zinc/62/21/88/332622188.db2.gz YAZLJPSPMAPVPP-KRWDZBQOSA-N 1 3 304.384 4.194 20 0 DIADHO C[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C1CCC1 ZINC000379037411 333098481 /nfs/dbraw/zinc/09/84/81/333098481.db2.gz DDDUOQBLCXTERI-PKOBYXMFSA-N 1 3 300.490 4.067 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(-c3ccccc3)cc2)C1 ZINC000320684160 335123764 /nfs/dbraw/zinc/12/37/64/335123764.db2.gz PHGUAZHIAKMYSN-QZTJIDSGSA-N 1 3 308.469 4.346 20 0 DIADHO C[NH+]1CCC(CCNC(c2ccccc2)c2ccccc2)CC1 ZINC000323414056 333150472 /nfs/dbraw/zinc/15/04/72/333150472.db2.gz NAFROWUIEIVWQF-UHFFFAOYSA-N 1 3 308.469 4.098 20 0 DIADHO c1ccc(C[N@H+]2CC[C@H](CN[C@@H](c3ccccc3)C3CC3)C2)cc1 ZINC000310101972 333219388 /nfs/dbraw/zinc/21/93/88/333219388.db2.gz YDNOYVGEEWFNBN-KNQAVFIVSA-N 1 3 320.480 4.249 20 0 DIADHO c1ccc(C[N@@H+]2CC[C@H](CN[C@@H](c3ccccc3)C3CC3)C2)cc1 ZINC000310101972 333219390 /nfs/dbraw/zinc/21/93/90/333219390.db2.gz YDNOYVGEEWFNBN-KNQAVFIVSA-N 1 3 320.480 4.249 20 0 DIADHO C[C@H]([NH2+][C@H]1CCCc2occc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000310166069 333221488 /nfs/dbraw/zinc/22/14/88/333221488.db2.gz SFHCPDBUJUPSHQ-QRFRQXIXSA-N 1 3 324.468 4.157 20 0 DIADHO CC(C)[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccc(F)cn1 ZINC000497850383 333301035 /nfs/dbraw/zinc/30/10/35/333301035.db2.gz ZDQDBMKTIKRGCS-VQIMIIECSA-N 1 3 321.484 4.162 20 0 DIADHO CC(C)[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccc(F)cn1 ZINC000497850383 333301036 /nfs/dbraw/zinc/30/10/36/333301036.db2.gz ZDQDBMKTIKRGCS-VQIMIIECSA-N 1 3 321.484 4.162 20 0 DIADHO CC(C)[C@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(F)cn1 ZINC000497857055 333302413 /nfs/dbraw/zinc/30/24/13/333302413.db2.gz KNOHMYLATXNRMO-IBGZPJMESA-N 1 3 321.484 4.020 20 0 DIADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccs1 ZINC000390644869 333310324 /nfs/dbraw/zinc/31/03/24/333310324.db2.gz IDHKWHFBSBCHBW-GOSISDBHSA-N 1 3 314.498 4.138 20 0 DIADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccs1 ZINC000390644869 333310326 /nfs/dbraw/zinc/31/03/26/333310326.db2.gz IDHKWHFBSBCHBW-GOSISDBHSA-N 1 3 314.498 4.138 20 0 DIADHO Cc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000390756996 333324275 /nfs/dbraw/zinc/32/42/75/333324275.db2.gz WXEQOQRNQNMWFQ-QUCCMNQESA-N 1 3 308.469 4.168 20 0 DIADHO Cc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000390756996 333324276 /nfs/dbraw/zinc/32/42/76/333324276.db2.gz WXEQOQRNQNMWFQ-QUCCMNQESA-N 1 3 308.469 4.168 20 0 DIADHO CCCCOc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414811616 334105921 /nfs/dbraw/zinc/10/59/21/334105921.db2.gz PYCGJGZSMIEEOO-INIZCTEOSA-N 1 3 312.457 4.175 20 0 DIADHO CC(C)COc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414815417 334106450 /nfs/dbraw/zinc/10/64/50/334106450.db2.gz XMXXTBPILDHTTL-INIZCTEOSA-N 1 3 312.457 4.031 20 0 DIADHO C[C@H](NCc1ccc(-c2ccc(F)cc2)s1)[C@@H]1CCC[NH2+]C1 ZINC000414856580 334129706 /nfs/dbraw/zinc/12/97/06/334129706.db2.gz OLQBLSQCJQODEV-DZGCQCFKSA-N 1 3 318.461 4.032 20 0 DIADHO C[C@@H]1C[C@@H]([NH2+]CCCCc2ccc(Cl)c(Cl)c2)CCN1 ZINC000414948851 334206831 /nfs/dbraw/zinc/20/68/31/334206831.db2.gz MQBJNJRCEQIBHA-OCCSQVGLSA-N 1 3 315.288 4.046 20 0 DIADHO C[C@H]1C[C@H]([NH2+]CCCCc2ccc(Cl)c(Cl)c2)CCN1 ZINC000414948843 334206842 /nfs/dbraw/zinc/20/68/42/334206842.db2.gz MQBJNJRCEQIBHA-GXTWGEPZSA-N 1 3 315.288 4.046 20 0 DIADHO CC(C)Oc1ccc(CN[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000415049419 334258996 /nfs/dbraw/zinc/25/89/96/334258996.db2.gz HEAJQKDXQGWFPI-HXUWFJFHSA-N 1 3 312.457 4.044 20 0 DIADHO [NH3+]CCC[C@H](NCc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000415046612 334261191 /nfs/dbraw/zinc/26/11/91/334261191.db2.gz CXEJKPZCWTWYQG-KRWDZBQOSA-N 1 3 306.812 4.049 20 0 DIADHO Cc1ccc2cc(CN[C@H](CCC[NH3+])c3ccccc3)ccc2n1 ZINC000415048141 334261383 /nfs/dbraw/zinc/26/13/83/334261383.db2.gz FRCQDVHRHRROPV-HXUWFJFHSA-N 1 3 319.452 4.113 20 0 DIADHO CCSc1ccc([C@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000534497344 334277741 /nfs/dbraw/zinc/27/77/41/334277741.db2.gz BWJUIIHHEDPEGV-AWEZNQCLSA-N 1 3 304.503 4.076 20 0 DIADHO C[C@H](N[C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000415117067 334283841 /nfs/dbraw/zinc/28/38/41/334283841.db2.gz FWALRRLGILVVJB-JVPBZIDWSA-N 1 3 314.860 4.484 20 0 DIADHO C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H]2CCc3ccccc32)CC1 ZINC000531967589 334326466 /nfs/dbraw/zinc/32/64/66/334326466.db2.gz GTLUSFQTDBFSRC-VGOFRKELSA-N 1 3 320.480 4.489 20 0 DIADHO CN1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000534757357 334336660 /nfs/dbraw/zinc/33/66/60/334336660.db2.gz XWQLSJYKFZPFMY-XLIONFOSSA-N 1 3 311.473 4.179 20 0 DIADHO CN1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000534757357 334336661 /nfs/dbraw/zinc/33/66/61/334336661.db2.gz XWQLSJYKFZPFMY-XLIONFOSSA-N 1 3 311.473 4.179 20 0 DIADHO CCCOc1ccc([C@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000531989562 334365245 /nfs/dbraw/zinc/36/52/45/334365245.db2.gz KAAFXZOKJUCAMP-KRWDZBQOSA-N 1 3 318.505 4.246 20 0 DIADHO CCCC[C@H](NC1CC[NH+](CCCOC)CC1)c1ccccc1 ZINC000343995107 335206292 /nfs/dbraw/zinc/20/62/92/335206292.db2.gz BGMCOYBCYKXBGB-FQEVSTJZSA-N 1 3 318.505 4.008 20 0 DIADHO CC(C)Sc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2)cc1 ZINC000519402135 335844229 /nfs/dbraw/zinc/84/42/29/335844229.db2.gz ZOVZFOOHBWHQDQ-HNNXBMFYSA-N 1 3 314.498 4.497 20 0 DIADHO C[NH+](C)CCCC1CCN(C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000520459304 335980182 /nfs/dbraw/zinc/98/01/82/335980182.db2.gz ZCOYJEFTMVHCLL-GQCTYLIASA-N 1 3 322.443 4.032 20 0 DIADHO c1cc(N2CCC([NH2+][C@@H]3CCCCC34CCCC4)CC2)ccn1 ZINC000324186463 336106599 /nfs/dbraw/zinc/10/65/99/336106599.db2.gz YGUPVTAPMUOUSR-LJQANCHMSA-N 1 3 313.489 4.143 20 0 DIADHO c1cc2cc(CNCc3ccc(C[NH+]4CCCC4)cc3)ccc2o1 ZINC000352240199 336205724 /nfs/dbraw/zinc/20/57/24/336205724.db2.gz FEGWSHMKNHNTQI-UHFFFAOYSA-N 1 3 320.436 4.318 20 0 DIADHO CC(C)CN1CCC([NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000532453847 336248028 /nfs/dbraw/zinc/24/80/28/336248028.db2.gz NYLNVUZLSKHRCC-HXUWFJFHSA-N 1 3 300.490 4.238 20 0 DIADHO CC(C)C[NH+]1CCC(N[C@H](CC2CC2)c2ccccc2)CC1 ZINC000532453847 336248029 /nfs/dbraw/zinc/24/80/29/336248029.db2.gz NYLNVUZLSKHRCC-HXUWFJFHSA-N 1 3 300.490 4.238 20 0 DIADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1Cl ZINC000532482763 336251635 /nfs/dbraw/zinc/25/16/35/336251635.db2.gz BPFKSDDASRIQDD-CABCVRRESA-N 1 3 324.896 4.120 20 0 DIADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(-c2cccs2)cc1 ZINC000532507086 336252666 /nfs/dbraw/zinc/25/26/66/336252666.db2.gz VOCFLXXDELDTBX-JKSUJKDBSA-N 1 3 314.498 4.408 20 0 DIADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(-c2cccs2)cc1 ZINC000532507086 336252667 /nfs/dbraw/zinc/25/26/67/336252667.db2.gz VOCFLXXDELDTBX-JKSUJKDBSA-N 1 3 314.498 4.408 20 0 DIADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000532505381 336252714 /nfs/dbraw/zinc/25/27/14/336252714.db2.gz IDQXNACWUYELNY-ZWKOTPCHSA-N 1 3 324.468 4.471 20 0 DIADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(Oc2ccccc2)cc1 ZINC000532505381 336252715 /nfs/dbraw/zinc/25/27/15/336252715.db2.gz IDQXNACWUYELNY-ZWKOTPCHSA-N 1 3 324.468 4.471 20 0 DIADHO C[C@H]([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000417994402 336287129 /nfs/dbraw/zinc/28/71/29/336287129.db2.gz YVNKARUWPISPKG-GZMOKQHVSA-N 1 3 312.501 4.033 20 0 DIADHO Cc1cc(N2CCC(CCC[NH+](C)C)CC2)c2ccccc2n1 ZINC000301863938 336334965 /nfs/dbraw/zinc/33/49/65/336334965.db2.gz AWFGECVAESNNQF-UHFFFAOYSA-N 1 3 311.473 4.101 20 0 DIADHO Cc1ccc2nccc(N3CCC(CCC[NH+](C)C)CC3)c2c1 ZINC000302242514 336355889 /nfs/dbraw/zinc/35/58/89/336355889.db2.gz YNKFJBLUIRTAAW-UHFFFAOYSA-N 1 3 311.473 4.101 20 0 DIADHO Cc1cc(NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc[nH+]1 ZINC000302392175 336358109 /nfs/dbraw/zinc/35/81/09/336358109.db2.gz FYZHBMJIBMSDBS-INIZCTEOSA-N 1 3 323.362 4.124 20 0 DIADHO CC(C)Sc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152443318 336384388 /nfs/dbraw/zinc/38/43/88/336384388.db2.gz JMGQLVPDFBGHPR-HOTGVXAUSA-N 1 3 318.530 4.322 20 0 DIADHO CC(C)Sc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152443318 336384389 /nfs/dbraw/zinc/38/43/89/336384389.db2.gz JMGQLVPDFBGHPR-HOTGVXAUSA-N 1 3 318.530 4.322 20 0 DIADHO CC1CC[NH+](CCCCN[C@H]2CCCOc3ccccc32)CC1 ZINC000359946179 336694703 /nfs/dbraw/zinc/69/47/03/336694703.db2.gz YWKHCZMQFFZDDM-IBGZPJMESA-N 1 3 316.489 4.002 20 0 DIADHO CS[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)C(C)(C)C ZINC000582930481 337215831 /nfs/dbraw/zinc/21/58/31/337215831.db2.gz KNFFRWZLSUZNBC-QGZVFWFLSA-N 1 3 312.567 4.151 20 0 DIADHO CS[C@H](CNC1CC[NH+](C2CCCCC2)CC1)C(C)(C)C ZINC000582930481 337215832 /nfs/dbraw/zinc/21/58/32/337215832.db2.gz KNFFRWZLSUZNBC-QGZVFWFLSA-N 1 3 312.567 4.151 20 0 DIADHO C[NH+](C)Cc1cccc(CN[C@@H]2CC(C)(C)Cc3occc32)c1 ZINC000123631265 337400209 /nfs/dbraw/zinc/40/02/09/337400209.db2.gz AKEQSPJVJZWTMN-GOSISDBHSA-N 1 3 312.457 4.145 20 0 DIADHO Cc1ccc2c(c1)[C@@H](NCc1cccc(C[NH+](C)C)c1)CCCO2 ZINC000123660260 337400279 /nfs/dbraw/zinc/40/02/79/337400279.db2.gz CUHCRDFFYURJGO-FQEVSTJZSA-N 1 3 324.468 4.060 20 0 DIADHO CCC[C@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)C1CCCCC1 ZINC000422718260 337684028 /nfs/dbraw/zinc/68/40/28/337684028.db2.gz WTXNHKPFMVOXNO-KXBFYZLASA-N 1 3 303.494 4.248 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000422778374 337686175 /nfs/dbraw/zinc/68/61/75/337686175.db2.gz HIKZLWBGMGQFDE-HRAATJIYSA-N 1 3 323.484 4.431 20 0 DIADHO CC[C@H](C)[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000422791971 337686966 /nfs/dbraw/zinc/68/69/66/337686966.db2.gz YXOBMURDRHHVGI-HDFZNBQNSA-N 1 3 306.881 4.300 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422809924 337687623 /nfs/dbraw/zinc/68/76/23/337687623.db2.gz MRMGOALHZYWAFB-INIZCTEOSA-N 1 3 323.484 4.011 20 0 DIADHO C[C@@H](CCCC[NH3+])N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000422931912 337692051 /nfs/dbraw/zinc/69/20/51/337692051.db2.gz DADARYMILDQYHJ-HNAYVOBHSA-N 1 3 300.421 4.022 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCC[C@H](C(C)C)CC1 ZINC000423052202 337697324 /nfs/dbraw/zinc/69/73/24/337697324.db2.gz QBZWREBPWHSXIA-XIRDDKMYSA-N 1 3 303.494 4.104 20 0 DIADHO Clc1cccc([C@H]2C[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423093235 337699065 /nfs/dbraw/zinc/69/90/65/337699065.db2.gz GQULQEKEAQEFAR-WSIUPNEHSA-N 1 3 318.892 4.096 20 0 DIADHO Clc1ccc([C@H]2C[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423099915 337699399 /nfs/dbraw/zinc/69/93/99/337699399.db2.gz URRLZELVXOUFHZ-WSIUPNEHSA-N 1 3 318.892 4.096 20 0 DIADHO C[C@H](NC[C@H]1CCC[NH2+]C1)c1ccc(-c2ccccc2)s1 ZINC000423203025 337703773 /nfs/dbraw/zinc/70/37/73/337703773.db2.gz BSTDGONVGVHTNY-GJZGRUSLSA-N 1 3 300.471 4.065 20 0 DIADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000423291491 337710234 /nfs/dbraw/zinc/71/02/34/337710234.db2.gz IMLSBXKDDKWGGZ-SJCJKPOMSA-N 1 3 316.445 4.172 20 0 DIADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423291513 337710247 /nfs/dbraw/zinc/71/02/47/337710247.db2.gz IRCMQVSJAXHJEX-XOBRGWDASA-N 1 3 324.468 4.227 20 0 DIADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cnc2ccsc2c1 ZINC000423292599 337710254 /nfs/dbraw/zinc/71/02/54/337710254.db2.gz NKJBWOJRYLRBNX-QWHCGFSZSA-N 1 3 311.454 4.167 20 0 DIADHO C[C@@H](NCC1(C)CC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000423329095 337712215 /nfs/dbraw/zinc/71/22/15/337712215.db2.gz MSIAJLIILMUNOC-LLVKDONJSA-N 1 3 301.261 4.034 20 0 DIADHO Cc1ccc([C@@H](NCCCC[NH3+])c2ccccc2Cl)cc1 ZINC000423343223 337713057 /nfs/dbraw/zinc/71/30/57/337713057.db2.gz ZQGFGSCHOUDPDR-GOSISDBHSA-N 1 3 302.849 4.066 20 0 DIADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1C(F)(F)F ZINC000423355854 337714019 /nfs/dbraw/zinc/71/40/19/337714019.db2.gz IQIFJXVYIOFBFC-GFCCVEGCSA-N 1 3 320.358 4.159 20 0 DIADHO CC(C)[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(F)c(F)c1 ZINC000423367415 337714854 /nfs/dbraw/zinc/71/48/54/337714854.db2.gz CKTBRYXLBBWPBU-IBGZPJMESA-N 1 3 316.395 4.055 20 0 DIADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CCN1 ZINC000423369883 337715136 /nfs/dbraw/zinc/71/51/36/337715136.db2.gz CJQNSTPECNXDLC-MOIQIXESSA-N 1 3 306.881 4.096 20 0 DIADHO COc1ccccc1-c1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423385032 337717806 /nfs/dbraw/zinc/71/78/06/337717806.db2.gz LJVXNDYLARUOPL-ZYSHUDEJSA-N 1 3 324.468 4.283 20 0 DIADHO COc1ccccc1-c1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423385029 337717897 /nfs/dbraw/zinc/71/78/97/337717897.db2.gz LJVXNDYLARUOPL-IPELMVKDSA-N 1 3 324.468 4.283 20 0 DIADHO C[C@@H](CCC[NH3+])N[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000423461505 337720532 /nfs/dbraw/zinc/72/05/32/337720532.db2.gz SUYZFJBTVILKNZ-UGSOOPFHSA-N 1 3 320.839 4.286 20 0 DIADHO C[C@H](N[C@@H]1CC[C@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1Cl ZINC000423492533 337722672 /nfs/dbraw/zinc/72/26/72/337722672.db2.gz NKLAVOPCMFNZFL-LPEHRKFASA-N 1 3 321.679 4.425 20 0 DIADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000423496471 337723050 /nfs/dbraw/zinc/72/30/50/337723050.db2.gz DYXQWSBLQYLDBN-SJCJKPOMSA-N 1 3 322.374 4.235 20 0 DIADHO [NH3+]C[C@@H]1CC[C@@H](N[C@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000423496975 337723067 /nfs/dbraw/zinc/72/30/67/337723067.db2.gz YAZYKCIGJOKYTN-KKZNHRDASA-N 1 3 319.301 4.149 20 0 DIADHO [NH3+]CCC[C@H](N[C@@H]1CCc2ccc(Cl)cc21)c1ccccc1 ZINC000423498866 337723215 /nfs/dbraw/zinc/72/32/15/337723215.db2.gz IMJNGBJDKZYQSK-RBUKOAKNSA-N 1 3 314.860 4.397 20 0 DIADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1cccc(Cl)c1 ZINC000423512468 337723986 /nfs/dbraw/zinc/72/39/86/337723986.db2.gz UQIDASZYDMFCGP-RDTXWAMCSA-N 1 3 302.849 4.471 20 0 DIADHO [NH3+]CCC[C@@H](N[C@H]1CCCc2ccc(F)cc21)c1ccccc1 ZINC000423525084 337724547 /nfs/dbraw/zinc/72/45/47/337724547.db2.gz XVBILPZJEXLNQR-UXHICEINSA-N 1 3 312.432 4.273 20 0 DIADHO Cc1cccc([C@@H](NCCC2=CC[NH2+]CC2)c2cccc(F)c2)c1 ZINC000423545649 337725343 /nfs/dbraw/zinc/72/53/43/337725343.db2.gz YFPOQOOHTDJLQA-OAQYLSRUSA-N 1 3 324.443 4.123 20 0 DIADHO CCc1c(C)nc2ccccc2c1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000428668778 338058219 /nfs/dbraw/zinc/05/82/19/338058219.db2.gz HLGHKUYDHDYUGO-MRXNPFEDSA-N 1 3 311.473 4.026 20 0 DIADHO CN(C)[C@H]1CCC[N@H+](CCCc2cccc3ccccc32)CC1 ZINC000429534473 338083307 /nfs/dbraw/zinc/08/33/07/338083307.db2.gz DUTLNKOPQZGLSE-FQEVSTJZSA-N 1 3 310.485 4.189 20 0 DIADHO CN(C)[C@H]1CCC[N@@H+](CCCc2cccc3ccccc32)CC1 ZINC000429534473 338083308 /nfs/dbraw/zinc/08/33/08/338083308.db2.gz DUTLNKOPQZGLSE-FQEVSTJZSA-N 1 3 310.485 4.189 20 0 DIADHO C[NH+](C)[C@H]1CCCN(CCCc2cccc3ccccc32)CC1 ZINC000429534473 338083309 /nfs/dbraw/zinc/08/33/09/338083309.db2.gz DUTLNKOPQZGLSE-FQEVSTJZSA-N 1 3 310.485 4.189 20 0 DIADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433311845 338191316 /nfs/dbraw/zinc/19/13/16/338191316.db2.gz OCDSLEBEVDIWOW-FUHWJXTLSA-N 1 3 306.881 4.004 20 0 DIADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433311845 338191317 /nfs/dbraw/zinc/19/13/17/338191317.db2.gz OCDSLEBEVDIWOW-FUHWJXTLSA-N 1 3 306.881 4.004 20 0 DIADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433311844 338191487 /nfs/dbraw/zinc/19/14/87/338191487.db2.gz OCDSLEBEVDIWOW-AEFFLSMTSA-N 1 3 306.881 4.004 20 0 DIADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433311844 338191488 /nfs/dbraw/zinc/19/14/88/338191488.db2.gz OCDSLEBEVDIWOW-AEFFLSMTSA-N 1 3 306.881 4.004 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000436228248 338262596 /nfs/dbraw/zinc/26/25/96/338262596.db2.gz AYKZXFWQKZUQCE-NJDAHSKKSA-N 1 3 314.517 4.108 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000436232941 338262746 /nfs/dbraw/zinc/26/27/46/338262746.db2.gz QLPYIFJPWRNFGN-HOJAQTOUSA-N 1 3 300.490 4.033 20 0 DIADHO CN(C)Cc1cccc(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)c1 ZINC000436267686 338264532 /nfs/dbraw/zinc/26/45/32/338264532.db2.gz QXEWQTDTSLMQDS-SFTDATJTSA-N 1 3 308.469 4.174 20 0 DIADHO CC1(C)CC([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC(C)(C)N1 ZINC000436269100 338264609 /nfs/dbraw/zinc/26/46/09/338264609.db2.gz WZFRDQQVCPHECV-IRXDYDNUSA-N 1 3 300.490 4.222 20 0 DIADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000436312123 338268525 /nfs/dbraw/zinc/26/85/25/338268525.db2.gz JRERLDIJFHQYLA-NRSPTQNISA-N 1 3 314.517 4.280 20 0 DIADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccc(F)cc1 ZINC000437778916 338321071 /nfs/dbraw/zinc/32/10/71/338321071.db2.gz BGCHNJXCMDCXOK-SOLBZPMBSA-N 1 3 318.480 4.172 20 0 DIADHO CCCN(CCC)CCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000438075470 338329615 /nfs/dbraw/zinc/32/96/15/338329615.db2.gz RABFMJNFNGRKNP-GJZGRUSLSA-N 1 3 308.432 4.209 20 0 DIADHO C[NH+](C)CCCC(C)(C)NCc1cc(C(F)(F)F)ccc1F ZINC000449528139 338634652 /nfs/dbraw/zinc/63/46/52/338634652.db2.gz NISBPJVTKAJYNU-UHFFFAOYSA-N 1 3 320.374 4.055 20 0 DIADHO CC[C@@H](NCc1cccc(C[NH+](CC)CC)c1)c1ccncc1 ZINC000453066904 338789668 /nfs/dbraw/zinc/78/96/68/338789668.db2.gz REAYHXFQBAOVKY-HXUWFJFHSA-N 1 3 311.473 4.164 20 0 DIADHO c1cc(N2CCC([NH2+]CCCC3CCCCC3)CC2)ccn1 ZINC000459371614 339025238 /nfs/dbraw/zinc/02/52/38/339025238.db2.gz ILXJBEXGWWLRTL-UHFFFAOYSA-N 1 3 301.478 4.001 20 0 DIADHO CC1(C)C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)c2ccccc21 ZINC000459433222 339028905 /nfs/dbraw/zinc/02/89/05/339028905.db2.gz LJFWNLKHXWLYTB-HXUWFJFHSA-N 1 3 321.468 4.063 20 0 DIADHO Fc1ccc([C@H](NC2CC[NH+](C3CC3)CC2)C2CC2)cc1Cl ZINC000459586630 339037347 /nfs/dbraw/zinc/03/73/47/339037347.db2.gz VOIBXCDUTHELPI-GOSISDBHSA-N 1 3 322.855 4.147 20 0 DIADHO CC[C@H](NCCC1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000461095177 339059158 /nfs/dbraw/zinc/05/91/58/339059158.db2.gz BTQXXDSQQZMKTL-INIZCTEOSA-N 1 3 312.860 4.252 20 0 DIADHO Cc1cccc2c1ncc(C)c2N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000462508493 339080377 /nfs/dbraw/zinc/08/03/77/339080377.db2.gz ZUGHRNMLADDDBV-SFHVURJKSA-N 1 3 323.484 4.020 20 0 DIADHO Cc1cc(CC[NH2+]C2CCN(C(C)(C)C)CC2)ccc1Cl ZINC000462813145 339091122 /nfs/dbraw/zinc/09/11/22/339091122.db2.gz QCCSSBKLMCRUBX-UHFFFAOYSA-N 1 3 308.897 4.043 20 0 DIADHO Cc1cc(CCNC2CC[NH+](C(C)(C)C)CC2)ccc1Cl ZINC000462813145 339091123 /nfs/dbraw/zinc/09/11/23/339091123.db2.gz QCCSSBKLMCRUBX-UHFFFAOYSA-N 1 3 308.897 4.043 20 0 DIADHO CC(C)[NH+]1CCC(N[C@H]2c3ccccc3CCC[C@H]2C)CC1 ZINC000462840212 339093704 /nfs/dbraw/zinc/09/37/04/339093704.db2.gz PZSSQMGAQFVSTN-OXQOHEQNSA-N 1 3 300.490 4.163 20 0 DIADHO C[C@@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000463141518 339106990 /nfs/dbraw/zinc/10/69/90/339106990.db2.gz CCJVSHSZFWCPOF-WAOWUJCRSA-N 1 3 308.469 4.390 20 0 DIADHO C[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000463141518 339106991 /nfs/dbraw/zinc/10/69/91/339106991.db2.gz CCJVSHSZFWCPOF-WAOWUJCRSA-N 1 3 308.469 4.390 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)C1 ZINC000464082606 339133678 /nfs/dbraw/zinc/13/36/78/339133678.db2.gz PEAPKWNVMKDVPO-HOJAQTOUSA-N 1 3 314.517 4.279 20 0 DIADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000467833508 339247140 /nfs/dbraw/zinc/24/71/40/339247140.db2.gz JNSPSRTZVBVGEA-OAHLLOKOSA-N 1 3 310.432 4.128 20 0 DIADHO Cc1ccc(CC[C@@H](C)[NH2+]C2CC(C)(C)NC(C)(C)C2)cc1 ZINC000468511561 339264911 /nfs/dbraw/zinc/26/49/11/339264911.db2.gz NLDQKPSXDGQKHE-MRXNPFEDSA-N 1 3 302.506 4.215 20 0 DIADHO Cc1ccc(CC[C@@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000468511561 339264912 /nfs/dbraw/zinc/26/49/12/339264912.db2.gz NLDQKPSXDGQKHE-MRXNPFEDSA-N 1 3 302.506 4.215 20 0 DIADHO Cc1ccc(CC[C@H](C)[NH2+]C2CC(C)(C)NC(C)(C)C2)cc1 ZINC000468511560 339264970 /nfs/dbraw/zinc/26/49/70/339264970.db2.gz NLDQKPSXDGQKHE-INIZCTEOSA-N 1 3 302.506 4.215 20 0 DIADHO Cc1ccc(CC[C@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000468511560 339264971 /nfs/dbraw/zinc/26/49/71/339264971.db2.gz NLDQKPSXDGQKHE-INIZCTEOSA-N 1 3 302.506 4.215 20 0 DIADHO C[C@@H](CCc1ccccc1F)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000468511928 339265043 /nfs/dbraw/zinc/26/50/43/339265043.db2.gz PUKGQNGGUOOGTM-AWEZNQCLSA-N 1 3 306.469 4.046 20 0 DIADHO C[C@@H](CCc1ccccc1F)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000468511928 339265044 /nfs/dbraw/zinc/26/50/44/339265044.db2.gz PUKGQNGGUOOGTM-AWEZNQCLSA-N 1 3 306.469 4.046 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000469126370 339280809 /nfs/dbraw/zinc/28/08/09/339280809.db2.gz XYGXWFNNZFLEFU-CRAIPNDOSA-N 1 3 306.881 4.113 20 0 DIADHO CC[N@@H+]1CC[C@H](CN[C@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000469126370 339280810 /nfs/dbraw/zinc/28/08/10/339280810.db2.gz XYGXWFNNZFLEFU-CRAIPNDOSA-N 1 3 306.881 4.113 20 0 DIADHO CC[N@H+]1CC[C@H](CN[C@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000469126370 339280811 /nfs/dbraw/zinc/28/08/11/339280811.db2.gz XYGXWFNNZFLEFU-CRAIPNDOSA-N 1 3 306.881 4.113 20 0 DIADHO C[NH+]1CCC2(CCCN2Cc2ccc(-c3ccccc3)o2)CC1 ZINC000472593876 339374835 /nfs/dbraw/zinc/37/48/35/339374835.db2.gz BVRVMHXODYYWIS-UHFFFAOYSA-N 1 3 310.441 4.007 20 0 DIADHO CN1CCC2(CCC[N@@H+]2Cc2ccc(-c3ccccc3)o2)CC1 ZINC000472593876 339374836 /nfs/dbraw/zinc/37/48/36/339374836.db2.gz BVRVMHXODYYWIS-UHFFFAOYSA-N 1 3 310.441 4.007 20 0 DIADHO CN1CCC2(CCC[N@H+]2Cc2ccc(-c3ccccc3)o2)CC1 ZINC000472593876 339374837 /nfs/dbraw/zinc/37/48/37/339374837.db2.gz BVRVMHXODYYWIS-UHFFFAOYSA-N 1 3 310.441 4.007 20 0 DIADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000472727388 339376597 /nfs/dbraw/zinc/37/65/97/339376597.db2.gz GFGFJFCQMBSSFV-FUHWJXTLSA-N 1 3 306.881 4.004 20 0 DIADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000472727388 339376598 /nfs/dbraw/zinc/37/65/98/339376598.db2.gz GFGFJFCQMBSSFV-FUHWJXTLSA-N 1 3 306.881 4.004 20 0 DIADHO C[NH+](C)Cc1cccc(CN[C@H]2CCc3ccc(Cl)cc32)c1 ZINC000479285344 339530484 /nfs/dbraw/zinc/53/04/84/339530484.db2.gz QAUHJWLBHWGDGO-IBGZPJMESA-N 1 3 314.860 4.179 20 0 DIADHO C[C@@H](C[NH2+]C(C)(C)CCN1CCCCCC1)CC1CCOCC1 ZINC000479603035 339543274 /nfs/dbraw/zinc/54/32/74/339543274.db2.gz JTKVANSVURHIFV-GOSISDBHSA-N 1 3 324.553 4.074 20 0 DIADHO CC1CC[NH+](CCCCNCc2cc(Cl)cs2)CC1 ZINC000486961186 339740287 /nfs/dbraw/zinc/74/02/87/339740287.db2.gz VTVXRWOAXSZHFF-UHFFFAOYSA-N 1 3 300.899 4.003 20 0 DIADHO CC1CC[NH+](C[C@@H]2CCCN(CCCc3ccccc3)C2)CC1 ZINC000498818370 340023888 /nfs/dbraw/zinc/02/38/88/340023888.db2.gz PEPNQRJRNRQEDV-OAQYLSRUSA-N 1 3 314.517 4.063 20 0 DIADHO CC1CCN(C[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)CC1 ZINC000498818370 340023889 /nfs/dbraw/zinc/02/38/89/340023889.db2.gz PEPNQRJRNRQEDV-OAQYLSRUSA-N 1 3 314.517 4.063 20 0 DIADHO CC1CCN(C[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)CC1 ZINC000498818370 340023890 /nfs/dbraw/zinc/02/38/90/340023890.db2.gz PEPNQRJRNRQEDV-OAQYLSRUSA-N 1 3 314.517 4.063 20 0 DIADHO CN1CCC[C@H]1CC[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500165810 340051829 /nfs/dbraw/zinc/05/18/29/340051829.db2.gz HGCUISSTCGWKJU-KRWDZBQOSA-N 1 3 324.871 4.085 20 0 DIADHO C[C@@H](C[N@H+](C)CC1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000501077772 340073867 /nfs/dbraw/zinc/07/38/67/340073867.db2.gz OWZFCCBGCNWMAC-SFHVURJKSA-N 1 3 323.484 4.034 20 0 DIADHO C[C@@H](C[N@@H+](C)CC1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000501077772 340073868 /nfs/dbraw/zinc/07/38/68/340073868.db2.gz OWZFCCBGCNWMAC-SFHVURJKSA-N 1 3 323.484 4.034 20 0 DIADHO CCC[NH+](CCC)CCCN[C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000501483999 340082118 /nfs/dbraw/zinc/08/21/18/340082118.db2.gz WEVQOEGGJLXWMW-QUCCMNQESA-N 1 3 317.521 4.210 20 0 DIADHO C[C@@H](c1ccc(F)c(F)c1)N1CCC(CCC[NH+](C)C)CC1 ZINC000501779557 340088319 /nfs/dbraw/zinc/08/83/19/340088319.db2.gz XCIJTIJIZASQTD-AWEZNQCLSA-N 1 3 310.432 4.080 20 0 DIADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CC[C@@H]1CCCN1C ZINC000502703028 340111401 /nfs/dbraw/zinc/11/14/01/340111401.db2.gz UPTXRQXOIJPLEG-BBRMVZONSA-N 1 3 314.395 4.183 20 0 DIADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CC[C@@H]1CCCN1C ZINC000502703028 340111402 /nfs/dbraw/zinc/11/14/02/340111402.db2.gz UPTXRQXOIJPLEG-BBRMVZONSA-N 1 3 314.395 4.183 20 0 DIADHO COc1cc([C@H](C)NCCCC[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000504900202 340155215 /nfs/dbraw/zinc/15/52/15/340155215.db2.gz SZUJBAPARIJTGV-HOTGVXAUSA-N 1 3 322.468 4.140 20 0 DIADHO COc1cc([C@H](C)NCCCC[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000504900202 340155216 /nfs/dbraw/zinc/15/52/16/340155216.db2.gz SZUJBAPARIJTGV-HOTGVXAUSA-N 1 3 322.468 4.140 20 0 DIADHO COc1cc([C@H](C)NCCCC[N@@H+]2CCCC[C@H]2C)ccc1F ZINC000504900201 340155312 /nfs/dbraw/zinc/15/53/12/340155312.db2.gz SZUJBAPARIJTGV-CVEARBPZSA-N 1 3 322.468 4.140 20 0 DIADHO COc1cc([C@H](C)NCCCC[N@H+]2CCCC[C@H]2C)ccc1F ZINC000504900201 340155313 /nfs/dbraw/zinc/15/53/13/340155313.db2.gz SZUJBAPARIJTGV-CVEARBPZSA-N 1 3 322.468 4.140 20 0 DIADHO CCc1cccnc1[C@H](C)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000507485114 340222191 /nfs/dbraw/zinc/22/21/91/340222191.db2.gz KTMCVRVDJRUNTM-KURKYZTESA-N 1 3 317.521 4.053 20 0 DIADHO FCCC[C@@H]1CCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000510722485 340308064 /nfs/dbraw/zinc/30/80/64/340308064.db2.gz OZQITIMHAKXIMH-QFBILLFUSA-N 1 3 310.501 4.292 20 0 DIADHO CN1CCC[C@H]1CC[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511092580 340320487 /nfs/dbraw/zinc/32/04/87/340320487.db2.gz OTNWOTJXSPQRNF-QFBILLFUSA-N 1 3 322.443 4.033 20 0 DIADHO C[NH+](C)CCC1CCN(Cc2c(Cl)oc3ccccc32)CC1 ZINC000511506294 340328960 /nfs/dbraw/zinc/32/89/60/340328960.db2.gz HZLJNBROELCCPU-UHFFFAOYSA-N 1 3 320.864 4.250 20 0 DIADHO C[C@H]([NH2+]Cc1ccc2occc2c1)[C@H]1CCCN(C2CCC2)C1 ZINC000511912624 340342698 /nfs/dbraw/zinc/34/26/98/340342698.db2.gz QQDAWKQUWGXIEJ-YJBOKZPZSA-N 1 3 312.457 4.175 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000173344848 340363064 /nfs/dbraw/zinc/36/30/64/340363064.db2.gz FHVSVSVNERQYDM-UONOGXRCSA-N 1 3 314.395 4.088 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000173387766 340363961 /nfs/dbraw/zinc/36/39/61/340363961.db2.gz XYCPEDULBYIVFS-AWEZNQCLSA-N 1 3 318.411 4.267 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000173387766 340363962 /nfs/dbraw/zinc/36/39/62/340363962.db2.gz XYCPEDULBYIVFS-AWEZNQCLSA-N 1 3 318.411 4.267 20 0 DIADHO Cc1ccc2ccccc2c1CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512557263 340366869 /nfs/dbraw/zinc/36/68/69/340366869.db2.gz OISWMPUGMYLIFP-DFNIBXOVSA-N 1 3 308.469 4.205 20 0 DIADHO Cc1ccc2ccccc2c1CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512557263 340366870 /nfs/dbraw/zinc/36/68/70/340366870.db2.gz OISWMPUGMYLIFP-DFNIBXOVSA-N 1 3 308.469 4.205 20 0 DIADHO CC[N@@H+]1CCC[C@@H](CNC/C(C)=C/c2ccc(Cl)cc2)C1 ZINC000512984627 340387003 /nfs/dbraw/zinc/38/70/03/340387003.db2.gz IEIABIKDCMNUCE-JMPLCFMRSA-N 1 3 306.881 4.065 20 0 DIADHO CC[N@H+]1CCC[C@@H](CNC/C(C)=C/c2ccc(Cl)cc2)C1 ZINC000512984627 340387004 /nfs/dbraw/zinc/38/70/04/340387004.db2.gz IEIABIKDCMNUCE-JMPLCFMRSA-N 1 3 306.881 4.065 20 0 DIADHO CCN1CCC[C@@H](C[NH2+]C/C(C)=C/c2ccc(Cl)cc2)C1 ZINC000512984627 340387005 /nfs/dbraw/zinc/38/70/05/340387005.db2.gz IEIABIKDCMNUCE-JMPLCFMRSA-N 1 3 306.881 4.065 20 0 DIADHO CN(C)[C@@H]1CCC[N@H+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000513246632 340399206 /nfs/dbraw/zinc/39/92/06/340399206.db2.gz ACNOPTLWEYROSN-OAQYLSRUSA-N 1 3 322.496 4.235 20 0 DIADHO CN(C)[C@@H]1CCC[N@@H+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000513246632 340399207 /nfs/dbraw/zinc/39/92/07/340399207.db2.gz ACNOPTLWEYROSN-OAQYLSRUSA-N 1 3 322.496 4.235 20 0 DIADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1cc(Cl)sc1Cl ZINC000227498501 340599627 /nfs/dbraw/zinc/59/96/27/340599627.db2.gz GHAICWSWYCZCFU-JTQLQIEISA-N 1 3 321.317 4.437 20 0 DIADHO CC[C@H](c1ccc(F)cc1)N1CCC(C[NH+](CC)CC)CC1 ZINC000523437666 340624150 /nfs/dbraw/zinc/62/41/50/340624150.db2.gz ZVYHPUVKIALOPP-LJQANCHMSA-N 1 3 306.469 4.331 20 0 DIADHO Cc1cccc([C@@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C(C)C)c1 ZINC000530227245 340783300 /nfs/dbraw/zinc/78/33/00/340783300.db2.gz WNXFNLDUYPPJMN-JXFKEZNVSA-N 1 3 311.473 4.205 20 0 DIADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(F)c(Cl)c1 ZINC000123666645 340793386 /nfs/dbraw/zinc/79/33/86/340793386.db2.gz ARLJQRTWGJUNOH-CYBMUJFWSA-N 1 3 320.839 4.392 20 0 DIADHO C[C@@H](c1cccc2ccccc21)[NH+]1CCC2(CCCN2C)CC1 ZINC000542268511 341002708 /nfs/dbraw/zinc/00/27/08/341002708.db2.gz STXZDXNHTQGQEA-KRWDZBQOSA-N 1 3 308.469 4.461 20 0 DIADHO Cc1cccc(CCC[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000542529540 341012288 /nfs/dbraw/zinc/01/22/88/341012288.db2.gz IYVRVQVQTRJONI-AZUAARDMSA-N 1 3 314.517 4.170 20 0 DIADHO C[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)Cc1ccccc1 ZINC000543446752 341045048 /nfs/dbraw/zinc/04/50/48/341045048.db2.gz LCEKYPGQOCQLTA-GOSISDBHSA-N 1 3 314.517 4.252 20 0 DIADHO Cc1cc(C)c([C@H](C)[NH+]2CCC3(CCCN3C)CC2)c(C)c1 ZINC000544126479 341071291 /nfs/dbraw/zinc/07/12/91/341071291.db2.gz GHLANHYYHBZMBR-SFHVURJKSA-N 1 3 300.490 4.233 20 0 DIADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CC[C@H](C)N2CCCCC2)cc1 ZINC000544374847 341079070 /nfs/dbraw/zinc/07/90/70/341079070.db2.gz IKURDXJCIKRURN-KSZLIROESA-N 1 3 318.505 4.041 20 0 DIADHO Cc1ccc(CCC[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1 ZINC000544423948 341081640 /nfs/dbraw/zinc/08/16/40/341081640.db2.gz IMTPTRXIUBIGIT-UYAOXDASSA-N 1 3 314.517 4.170 20 0 DIADHO Cc1ccc([C@H](NCc2ccc(C[NH+](C)C)cc2)C2CCC2)o1 ZINC000544576637 341086795 /nfs/dbraw/zinc/08/67/95/341086795.db2.gz RAUWGSGKWDPNDI-HXUWFJFHSA-N 1 3 312.457 4.281 20 0 DIADHO CC(C)SCCN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000549138962 341286818 /nfs/dbraw/zinc/28/68/18/341286818.db2.gz OSYYAMVUGHJIJO-HKUYNNGSSA-N 1 3 320.546 4.113 20 0 DIADHO CC(C)SCCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000549138962 341286819 /nfs/dbraw/zinc/28/68/19/341286819.db2.gz OSYYAMVUGHJIJO-HKUYNNGSSA-N 1 3 320.546 4.113 20 0 DIADHO CC(C)SCCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000549138968 341286963 /nfs/dbraw/zinc/28/69/63/341286963.db2.gz OSYYAMVUGHJIJO-IEBWSBKVSA-N 1 3 320.546 4.113 20 0 DIADHO CC(C)SCCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000549138968 341286964 /nfs/dbraw/zinc/28/69/64/341286964.db2.gz OSYYAMVUGHJIJO-IEBWSBKVSA-N 1 3 320.546 4.113 20 0 DIADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000549613284 341299014 /nfs/dbraw/zinc/29/90/14/341299014.db2.gz CXINAQDYMHWCOL-YHELAOLJSA-N 1 3 314.517 4.136 20 0 DIADHO Cc1c2cccc(Cl)c2sc1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000549764283 341302636 /nfs/dbraw/zinc/30/26/36/341302636.db2.gz PCXLHONQNBIYAR-DGCLKSJQSA-N 1 3 322.905 4.435 20 0 DIADHO Cc1c2cccc(Cl)c2sc1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000549764283 341302637 /nfs/dbraw/zinc/30/26/37/341302637.db2.gz PCXLHONQNBIYAR-DGCLKSJQSA-N 1 3 322.905 4.435 20 0 DIADHO Cc1c2cccc(Cl)c2sc1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000549764285 341302645 /nfs/dbraw/zinc/30/26/45/341302645.db2.gz PCXLHONQNBIYAR-YPMHNXCESA-N 1 3 322.905 4.435 20 0 DIADHO Cc1c2cccc(Cl)c2sc1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000549764285 341302646 /nfs/dbraw/zinc/30/26/46/341302646.db2.gz PCXLHONQNBIYAR-YPMHNXCESA-N 1 3 322.905 4.435 20 0 DIADHO CCC[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccn1 ZINC000245963033 341320055 /nfs/dbraw/zinc/32/00/55/341320055.db2.gz VDPUINRQUNTIGT-MSOLQXFVSA-N 1 3 303.494 4.025 20 0 DIADHO CCC[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccccn1 ZINC000245963033 341320056 /nfs/dbraw/zinc/32/00/56/341320056.db2.gz VDPUINRQUNTIGT-MSOLQXFVSA-N 1 3 303.494 4.025 20 0 DIADHO C[C@H](F)CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000550881966 341325275 /nfs/dbraw/zinc/32/52/75/341325275.db2.gz FIFRVERLMQAJJA-FRYIKTPZSA-N 1 3 318.480 4.015 20 0 DIADHO CCc1cnccc1[C@H](C)N[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551083649 341331143 /nfs/dbraw/zinc/33/11/43/341331143.db2.gz KIJLJIPUOOOWKP-LRQRDZAKSA-N 1 3 323.484 4.130 20 0 DIADHO CCc1cnccc1[C@H](C)N[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551083649 341331144 /nfs/dbraw/zinc/33/11/44/341331144.db2.gz KIJLJIPUOOOWKP-LRQRDZAKSA-N 1 3 323.484 4.130 20 0 DIADHO CCOc1ccccc1[C@@H](C)NCCCCC[NH+]1CCCC1 ZINC000551263893 341335997 /nfs/dbraw/zinc/33/59/97/341335997.db2.gz VEBRGMFPBXQEHU-QGZVFWFLSA-N 1 3 304.478 4.002 20 0 DIADHO Cc1ccccc1C[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)C1CC1 ZINC000551530966 341344194 /nfs/dbraw/zinc/34/41/94/341344194.db2.gz ZNNFGKAWXFVOSO-NQIIRXRSSA-N 1 3 314.517 4.026 20 0 DIADHO C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)[C@@H]1CCCN(C2CCC2)C1 ZINC000248409909 341376928 /nfs/dbraw/zinc/37/69/28/341376928.db2.gz XIBVETZKLCZBTH-NBQZKYEYSA-N 1 3 316.464 4.056 20 0 DIADHO COc1cccc2c1CCC[C@@H]2N[C@H](CCC[NH3+])c1ccccc1 ZINC000575373778 341795533 /nfs/dbraw/zinc/79/55/33/341795533.db2.gz AGAXSECKPDRXBY-UXHICEINSA-N 1 3 324.468 4.142 20 0 DIADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1nccc2ccccc21 ZINC000576077275 341824551 /nfs/dbraw/zinc/82/45/51/341824551.db2.gz HHAXCQLWNAOGKH-INIZCTEOSA-N 1 3 319.452 4.147 20 0 DIADHO CC(C)[NH+](CCCN[C@@H]1CCC[C@H](c2cccnc2)C1)C(C)C ZINC000337342685 519643834 /nfs/dbraw/zinc/64/38/34/519643834.db2.gz RKUIFTCUJDZGHZ-AZUAARDMSA-N 1 3 317.521 4.206 20 0 DIADHO CC(C)[NH+](CCCN[C@H]1CCC[C@H](c2cccnc2)C1)C(C)C ZINC000337342686 519644320 /nfs/dbraw/zinc/64/43/20/519644320.db2.gz RKUIFTCUJDZGHZ-ICSRJNTNSA-N 1 3 317.521 4.206 20 0 DIADHO C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc(OC(C)(C)C)cc1 ZINC000156739961 525293852 /nfs/dbraw/zinc/29/38/52/525293852.db2.gz BTJKGWWKEIVBEN-HNNXBMFYSA-N 1 3 316.489 4.141 20 0 DIADHO C[C@H](NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1ccncc1 ZINC000266504619 525441086 /nfs/dbraw/zinc/44/10/86/525441086.db2.gz WEMAQDZPQQAYEF-MSOLQXFVSA-N 1 3 323.484 4.307 20 0 DIADHO C[C@H](NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1ccncc1 ZINC000266504619 525441098 /nfs/dbraw/zinc/44/10/98/525441098.db2.gz WEMAQDZPQQAYEF-MSOLQXFVSA-N 1 3 323.484 4.307 20 0 DIADHO C[C@@H](NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ccncc1 ZINC000266504629 525520321 /nfs/dbraw/zinc/52/03/21/525520321.db2.gz WEMAQDZPQQAYEF-ZWKOTPCHSA-N 1 3 323.484 4.307 20 0 DIADHO C[C@@H](NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ccncc1 ZINC000266504629 525520329 /nfs/dbraw/zinc/52/03/29/525520329.db2.gz WEMAQDZPQQAYEF-ZWKOTPCHSA-N 1 3 323.484 4.307 20 0 DIADHO Cc1ccsc1CNCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000236667014 525858720 /nfs/dbraw/zinc/85/87/20/525858720.db2.gz BPJVMWMWKIOLSH-UHFFFAOYSA-N 1 3 302.487 4.187 20 0 DIADHO Cc1ccsc1CNCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000236667014 525858725 /nfs/dbraw/zinc/85/87/25/525858725.db2.gz BPJVMWMWKIOLSH-UHFFFAOYSA-N 1 3 302.487 4.187 20 0 DIADHO Cc1sccc1CNCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000339173419 526915801 /nfs/dbraw/zinc/91/58/01/526915801.db2.gz ZAFYOEOGTKKJNG-UHFFFAOYSA-N 1 3 314.498 4.332 20 0 DIADHO COc1ccc([C@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)c2ccccc12 ZINC000643547051 1035593944 /nfs/dbraw/zinc/59/39/44/1035593944.db2.gz YXHYRXZLSVXRTC-JKSUJKDBSA-N 1 3 324.468 4.174 20 0 DIADHO Clc1cccc([C@@H]2CC[C@H]([NH2+][C@H]3CCNC4(CCC4)C3)C2)c1 ZINC000643548352 1035603112 /nfs/dbraw/zinc/60/31/12/1035603112.db2.gz ODUCMDUNWAMSLZ-NJAFHUGGSA-N 1 3 318.892 4.240 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000643548112 1035603768 /nfs/dbraw/zinc/60/37/68/1035603768.db2.gz MQJCMPUHOMQPPW-JKIFEVAISA-N 1 3 306.881 4.096 20 0 DIADHO Clc1cccc([C@@H]2CC[C@@H]([NH2+][C@H]3CCNC4(CCC4)C3)C2)c1 ZINC000643548353 1035604078 /nfs/dbraw/zinc/60/40/78/1035604078.db2.gz ODUCMDUNWAMSLZ-NXHRZFHOSA-N 1 3 318.892 4.240 20 0 DIADHO C[C@H](NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000537944908 1035674315 /nfs/dbraw/zinc/67/43/15/1035674315.db2.gz SGHRKGHFOXIZNL-LNLFQRSKSA-N 1 3 312.457 4.231 20 0 DIADHO C[C@H](NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000537944908 1035674326 /nfs/dbraw/zinc/67/43/26/1035674326.db2.gz SGHRKGHFOXIZNL-LNLFQRSKSA-N 1 3 312.457 4.231 20 0 DIADHO CCCc1ccc(CNCc2cccc(C[NH+](C)C)c2)s1 ZINC000621327462 1036028430 /nfs/dbraw/zinc/02/84/30/1036028430.db2.gz NYCUTBIFSJPEIW-UHFFFAOYSA-N 1 3 302.487 4.052 20 0 DIADHO Cc1ccc([C@@H]([NH2+]C[C@H]2CCN(C3CC3)C2)c2ccccc2)cc1 ZINC000180094773 1036032342 /nfs/dbraw/zinc/03/23/42/1036032342.db2.gz DYSVGNIALINBBH-GCJKJVERSA-N 1 3 320.480 4.158 20 0 DIADHO Cc1ccc([C@H]([NH2+]C[C@H]2CCN(C3CC3)C2)c2ccccc2)cc1 ZINC000180094756 1036034068 /nfs/dbraw/zinc/03/40/68/1036034068.db2.gz DYSVGNIALINBBH-XMSQKQJNSA-N 1 3 320.480 4.158 20 0 DIADHO CCCN(C)C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001167199317 1036265096 /nfs/dbraw/zinc/26/50/96/1036265096.db2.gz LXJVVBIBRTXNGW-OAQYLSRUSA-N 1 3 310.485 4.244 20 0 DIADHO CCCN(C)C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001167199317 1036265111 /nfs/dbraw/zinc/26/51/11/1036265111.db2.gz LXJVVBIBRTXNGW-OAQYLSRUSA-N 1 3 310.485 4.244 20 0 DIADHO c1cc(C[NH2+]C2CCN(CC3CC3)CC2)cc(C2CCCC2)c1 ZINC001648835393 1036614098 /nfs/dbraw/zinc/61/40/98/1036614098.db2.gz MAAKWQCFIQEXNP-UHFFFAOYSA-N 1 3 312.501 4.308 20 0 DIADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(-c2ccccc2)s1 ZINC000580006013 1036710701 /nfs/dbraw/zinc/71/07/01/1036710701.db2.gz HXQFVGXQEQUNBX-MAUKXSAKSA-N 1 3 314.498 4.187 20 0 DIADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(-c2ccccc2)s1 ZINC000580006013 1036710717 /nfs/dbraw/zinc/71/07/17/1036710717.db2.gz HXQFVGXQEQUNBX-MAUKXSAKSA-N 1 3 314.498 4.187 20 0 DIADHO C[C@H]1CC[N@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)CCN1 ZINC001210495709 1036740109 /nfs/dbraw/zinc/74/01/09/1036740109.db2.gz ARZONRXCNAJYFG-INIZCTEOSA-N 1 3 319.452 4.019 20 0 DIADHO C[C@H]1CC[N@@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)CCN1 ZINC001210495709 1036740126 /nfs/dbraw/zinc/74/01/26/1036740126.db2.gz ARZONRXCNAJYFG-INIZCTEOSA-N 1 3 319.452 4.019 20 0 DIADHO CCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398023176 1037083222 /nfs/dbraw/zinc/08/32/22/1037083222.db2.gz KWHYCSMFSXAMGL-GCJKJVERSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398023176 1037083242 /nfs/dbraw/zinc/08/32/42/1037083242.db2.gz KWHYCSMFSXAMGL-GCJKJVERSA-N 1 3 322.496 4.249 20 0 DIADHO CC[NH+](CC)Cc1cccc(CNCc2cc3ccccc3[nH]2)c1 ZINC000683927614 1037114167 /nfs/dbraw/zinc/11/41/67/1037114167.db2.gz MRPOXPZQTYXNBQ-UHFFFAOYSA-N 1 3 321.468 4.300 20 0 DIADHO CC(C)N1CCC([N@H+](C)Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000891561228 1038039839 /nfs/dbraw/zinc/03/98/39/1038039839.db2.gz KILXYHOEAUCZSZ-UHFFFAOYSA-N 1 3 314.395 4.068 20 0 DIADHO CC(C)N1CCC([N@@H+](C)Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000891561228 1038039847 /nfs/dbraw/zinc/03/98/47/1038039847.db2.gz KILXYHOEAUCZSZ-UHFFFAOYSA-N 1 3 314.395 4.068 20 0 DIADHO CCCN1CCC([N@H+](C)Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000891742681 1038169901 /nfs/dbraw/zinc/16/99/01/1038169901.db2.gz CACMHXJNMHLTSZ-UHFFFAOYSA-N 1 3 314.395 4.070 20 0 DIADHO CCCN1CCC([N@@H+](C)Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000891742681 1038169912 /nfs/dbraw/zinc/16/99/12/1038169912.db2.gz CACMHXJNMHLTSZ-UHFFFAOYSA-N 1 3 314.395 4.070 20 0 DIADHO C[NH+](C)CC[C@H](NCc1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC000604770694 1038446475 /nfs/dbraw/zinc/44/64/75/1038446475.db2.gz BDUDJVLWIYIVRG-HNNXBMFYSA-N 1 3 316.411 4.161 20 0 DIADHO C[C@H](CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1)c1ccccc1 ZINC000604902876 1038460025 /nfs/dbraw/zinc/46/00/25/1038460025.db2.gz GKLKTWFFZFZKGC-WOJBJXKFSA-N 1 3 314.517 4.234 20 0 DIADHO C[C@H](Cc1ccccc1F)NC1CC[NH+](C2CCCCC2)CC1 ZINC000132353566 1038472585 /nfs/dbraw/zinc/47/25/85/1038472585.db2.gz ZYOPMCDXLCUOBQ-MRXNPFEDSA-N 1 3 318.480 4.143 20 0 DIADHO C[C@H](Cc1ccccc1F)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000132353566 1038472589 /nfs/dbraw/zinc/47/25/89/1038472589.db2.gz ZYOPMCDXLCUOBQ-MRXNPFEDSA-N 1 3 318.480 4.143 20 0 DIADHO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CCCN2CCCCC2)C1 ZINC001167504791 1038484838 /nfs/dbraw/zinc/48/48/38/1038484838.db2.gz OOYKVNDFDRFJEJ-QFBILLFUSA-N 1 3 304.453 4.085 20 0 DIADHO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCCN2CCCCC2)C1 ZINC001167504791 1038484844 /nfs/dbraw/zinc/48/48/44/1038484844.db2.gz OOYKVNDFDRFJEJ-QFBILLFUSA-N 1 3 304.453 4.085 20 0 DIADHO COc1cccc(Cl)c1CNCCCCC[NH+]1CCCCC1 ZINC000605322429 1038506713 /nfs/dbraw/zinc/50/67/13/1038506713.db2.gz MFGRPGHPQKQEGL-UHFFFAOYSA-N 1 3 324.896 4.094 20 0 DIADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(C(F)F)c(F)c2)C[C@@H]1C ZINC000892102096 1038514348 /nfs/dbraw/zinc/51/43/48/1038514348.db2.gz CJDJYUZVCZAQCO-JSGCOSHPSA-N 1 3 314.395 4.068 20 0 DIADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C(F)F)c(F)c2)C[C@@H]1C ZINC000892102096 1038514358 /nfs/dbraw/zinc/51/43/58/1038514358.db2.gz CJDJYUZVCZAQCO-JSGCOSHPSA-N 1 3 314.395 4.068 20 0 DIADHO FC1(F)CCC(C[N@@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001207347421 1039088780 /nfs/dbraw/zinc/08/87/80/1039088780.db2.gz UPIYLMZRCSNCEO-QGZVFWFLSA-N 1 3 314.464 4.152 20 0 DIADHO FC1(F)CCC(C[N@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001207347421 1039088795 /nfs/dbraw/zinc/08/87/95/1039088795.db2.gz UPIYLMZRCSNCEO-QGZVFWFLSA-N 1 3 314.464 4.152 20 0 DIADHO CC(C)C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccncc1 ZINC000647281985 1039225178 /nfs/dbraw/zinc/22/51/78/1039225178.db2.gz RSIVVKXJTOKQNI-HXUWFJFHSA-N 1 3 311.473 4.020 20 0 DIADHO C[C@@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccsc1 ZINC000669850862 1039393603 /nfs/dbraw/zinc/39/36/03/1039393603.db2.gz MRWKFPFIAYHJQS-HUUCEWRRSA-N 1 3 318.486 4.100 20 0 DIADHO C[C@@H](N[C@@H](C)c1ccsc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000669851359 1039393969 /nfs/dbraw/zinc/39/39/69/1039393969.db2.gz NBGVJLSEUVBEJV-CABCVRRESA-N 1 3 318.486 4.100 20 0 DIADHO CCCC[C@@H](NCc1ccc(C[NH3+])cc1F)c1ccccc1 ZINC000650752991 1039450987 /nfs/dbraw/zinc/45/09/87/1039450987.db2.gz DLRBILKVWNYFNN-LJQANCHMSA-N 1 3 300.421 4.306 20 0 DIADHO [NH3+]Cc1ccc(CN[C@@H](CC2CCC2)c2ccccc2)c(F)c1 ZINC000650754638 1039457122 /nfs/dbraw/zinc/45/71/22/1039457122.db2.gz NCUNEMNDFBYDLM-FQEVSTJZSA-N 1 3 312.432 4.306 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1cc(C)c(F)c(C)c1 ZINC000650758336 1039467005 /nfs/dbraw/zinc/46/70/05/1039467005.db2.gz NKYNFYWWVBGXBO-OAHLLOKOSA-N 1 3 300.421 4.013 20 0 DIADHO COc1ccc([C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C(C)C)cc1 ZINC000540299531 1039470344 /nfs/dbraw/zinc/47/03/44/1039470344.db2.gz KQFLZTCSEBYQRX-PXNSSMCTSA-N 1 3 318.505 4.102 20 0 DIADHO COc1ccc([C@@H](NC[C@@H]2CCC[N@@H+](C(C)C)C2)C(C)C)cc1 ZINC000540299531 1039470351 /nfs/dbraw/zinc/47/03/51/1039470351.db2.gz KQFLZTCSEBYQRX-PXNSSMCTSA-N 1 3 318.505 4.102 20 0 DIADHO COc1ccc([C@@H](NC[C@@H]2CCC[N@H+](C(C)C)C2)C(C)C)cc1 ZINC000540299531 1039470357 /nfs/dbraw/zinc/47/03/57/1039470357.db2.gz KQFLZTCSEBYQRX-PXNSSMCTSA-N 1 3 318.505 4.102 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000650759604 1039471950 /nfs/dbraw/zinc/47/19/50/1039471950.db2.gz MQWZSNORDITYSQ-CYBMUJFWSA-N 1 3 322.374 4.276 20 0 DIADHO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC[C@@H]1CCCCN1C ZINC000541660432 1039727643 /nfs/dbraw/zinc/72/76/43/1039727643.db2.gz DMNBSZFIKDQISE-HOTGVXAUSA-N 1 3 300.446 4.266 20 0 DIADHO CCC[NH+]1CCC(N[C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000204975037 1039975493 /nfs/dbraw/zinc/97/54/93/1039975493.db2.gz DGIQXKPXZIUNJR-IBGZPJMESA-N 1 3 311.473 4.009 20 0 DIADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cc(-c2ccccc2)cs1 ZINC000685470311 1040067621 /nfs/dbraw/zinc/06/76/21/1040067621.db2.gz FHTZFTRFZVEQIU-HNAYVOBHSA-N 1 3 314.498 4.187 20 0 DIADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cc(-c2ccccc2)cs1 ZINC000685470311 1040067635 /nfs/dbraw/zinc/06/76/35/1040067635.db2.gz FHTZFTRFZVEQIU-HNAYVOBHSA-N 1 3 314.498 4.187 20 0 DIADHO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000309783852 1040095092 /nfs/dbraw/zinc/09/50/92/1040095092.db2.gz MBFPWGSTMUOCKC-QFBILLFUSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000309761979 1040095467 /nfs/dbraw/zinc/09/54/67/1040095467.db2.gz DYOBGEWIQHETCO-WMZOPIPTSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1ccc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309761979 1040095482 /nfs/dbraw/zinc/09/54/82/1040095482.db2.gz DYOBGEWIQHETCO-WMZOPIPTSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1ccc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309761979 1040095501 /nfs/dbraw/zinc/09/55/01/1040095501.db2.gz DYOBGEWIQHETCO-WMZOPIPTSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1ccsc1C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309763119 1040095749 /nfs/dbraw/zinc/09/57/49/1040095749.db2.gz FHVIPDVUWZCXHC-WMZOPIPTSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1ccc2c(c1)[C@H](NC[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000310069750 1040107263 /nfs/dbraw/zinc/10/72/63/1040107263.db2.gz CVVJJWZINBUHLO-DENIHFKCSA-N 1 3 320.480 4.094 20 0 DIADHO Cc1ccc2c(c1)[C@H](NC[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000310069750 1040107270 /nfs/dbraw/zinc/10/72/70/1040107270.db2.gz CVVJJWZINBUHLO-DENIHFKCSA-N 1 3 320.480 4.094 20 0 DIADHO CCCC[C@H](C)[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658163176 1040336432 /nfs/dbraw/zinc/33/64/32/1040336432.db2.gz HXOPJYQNGGJJNS-ZWKOTPCHSA-N 1 3 317.521 4.098 20 0 DIADHO CCC[C@@H](C)[C@@H](CC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164737 1040338905 /nfs/dbraw/zinc/33/89/05/1040338905.db2.gz FCXCEKUUVVHSEN-YLJYHZDGSA-N 1 3 317.521 4.098 20 0 DIADHO C[C@H](CCC(C)(C)C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166077 1040339778 /nfs/dbraw/zinc/33/97/78/1040339778.db2.gz MGYIPHCDRCMAEH-QGZVFWFLSA-N 1 3 317.521 4.098 20 0 DIADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121052 1041326924 /nfs/dbraw/zinc/32/69/24/1041326924.db2.gz MPRHGPCRNRKDRK-UKRRQHHQSA-N 1 3 323.550 4.132 20 0 DIADHO C[C@H]1C[C@@H]([NH2+]C2CCN(CC3CC3)CC2)c2ccsc2S1 ZINC000178254925 1041493288 /nfs/dbraw/zinc/49/32/88/1041493288.db2.gz KNIMAKFTAXKBPE-BLLLJJGKSA-N 1 3 322.543 4.138 20 0 DIADHO Cc1cccc(C)c1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000812838518 1041655237 /nfs/dbraw/zinc/65/52/37/1041655237.db2.gz VIODCPQZKLHEIZ-UHFFFAOYSA-N 1 3 322.496 4.100 20 0 DIADHO CCC1([NH3+])CCN([C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000925756957 1042088876 /nfs/dbraw/zinc/08/88/76/1042088876.db2.gz CJVYBXGGWRBENF-FRRDWIJNSA-N 1 3 312.910 4.097 20 0 DIADHO c1ccc([C@@H]2CC[C@@H]([NH2+]C[C@H]3CCCN(CC4CC4)C3)C2)cc1 ZINC000663344061 1042126464 /nfs/dbraw/zinc/12/64/64/1042126464.db2.gz NHZAZFMBYZZHMX-HMXCVIKNSA-N 1 3 312.501 4.034 20 0 DIADHO Cc1c2ccccc2oc1[C@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817947710 1042130157 /nfs/dbraw/zinc/13/01/57/1042130157.db2.gz FZURWJIFEZEDHW-HNNXBMFYSA-N 1 3 308.425 4.093 20 0 DIADHO CC[C@H](NCc1ccc(CC[NH3+])cc1)c1ccc(Cl)s1 ZINC000817949290 1042130307 /nfs/dbraw/zinc/13/03/07/1042130307.db2.gz PWLDFRXHXJSFOZ-AWEZNQCLSA-N 1 3 308.878 4.144 20 0 DIADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170896767 1042146532 /nfs/dbraw/zinc/14/65/32/1042146532.db2.gz IZXIBQBFBGYLRV-NVXWUHKLSA-N 1 3 320.908 4.051 20 0 DIADHO CC(C)c1cc(C(C)C)c(N[C@@H](N)CCC[NH3+])c(C(C)C)c1 ZINC001170899396 1042147297 /nfs/dbraw/zinc/14/72/97/1042147297.db2.gz BPFMIIXBIXXAOF-GOSISDBHSA-N 1 3 305.510 4.492 20 0 DIADHO CCC[C@H]1CC[C@H](c2ccc(N[C@H](N)CCC[NH3+])cc2)CC1 ZINC001170899745 1042147491 /nfs/dbraw/zinc/14/74/91/1042147491.db2.gz MCRQBGWPFVIAFL-BXWFABGCSA-N 1 3 303.494 4.196 20 0 DIADHO CCC1(CC)c2ccccc2-c2ccc(N[C@@H](N)CCC[NH3+])cc21 ZINC001170901026 1042148751 /nfs/dbraw/zinc/14/87/51/1042148751.db2.gz UAWRGBSMVNILGB-HXUWFJFHSA-N 1 3 323.484 4.209 20 0 DIADHO CCCCN1CCC([NH2+]Cc2cccc(CC3CCC3)c2)CC1 ZINC001648933418 1042222042 /nfs/dbraw/zinc/22/20/42/1042222042.db2.gz ULWNGAHHSRQRNS-UHFFFAOYSA-N 1 3 314.517 4.383 20 0 DIADHO Cc1ccccc1[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CC1 ZINC000820810550 1042228849 /nfs/dbraw/zinc/22/88/49/1042228849.db2.gz ZAEIVOWZJJDJEM-ZJVRTDGDSA-N 1 3 310.485 4.194 20 0 DIADHO Cc1ccccc1[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CC1 ZINC000820810550 1042228856 /nfs/dbraw/zinc/22/88/56/1042228856.db2.gz ZAEIVOWZJJDJEM-ZJVRTDGDSA-N 1 3 310.485 4.194 20 0 DIADHO CCCN1CCC([NH2+]Cc2ccc(OCCC(C)C)cc2)CC1 ZINC000320145099 1042310480 /nfs/dbraw/zinc/31/04/80/1042310480.db2.gz IODXTYSXGIFBMJ-UHFFFAOYSA-N 1 3 318.505 4.076 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2C[C@H](c3ccccc3)C[C@H](C)C2)C1 ZINC000391478031 1042374091 /nfs/dbraw/zinc/37/40/91/1042374091.db2.gz XKHNXXJHLYUFCI-ZSXPUABSSA-N 1 3 314.517 4.279 20 0 DIADHO Cc1cccc2c1OCC[C@H]2N[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924885631 1042472030 /nfs/dbraw/zinc/47/20/30/1042472030.db2.gz IKQCVKVHDOKADH-OXJNMPFZSA-N 1 3 324.468 4.231 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000513345266 1042535555 /nfs/dbraw/zinc/53/55/55/1042535555.db2.gz ILDFDXLDZKGUSH-ZFWWWQNUSA-N 1 3 320.443 4.208 20 0 DIADHO C[C@H](Cc1ccc(F)cc1Cl)NC1CC([NH+]2CCCCC2)C1 ZINC000421851799 1042657102 /nfs/dbraw/zinc/65/71/02/1042657102.db2.gz GWFBOAIXMVAMNF-NVPAJSRCSA-N 1 3 324.871 4.017 20 0 DIADHO CC[C@@H](N[C@@H](C)c1ccc(C[NH3+])nc1C)c1ccc(Cl)s1 ZINC000422724975 1042689264 /nfs/dbraw/zinc/68/92/64/1042689264.db2.gz AAILEHRAIDKIMH-SMDDNHRTSA-N 1 3 323.893 4.366 20 0 DIADHO COc1ccccc1-c1ccc([C@H](C)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422780602 1042690135 /nfs/dbraw/zinc/69/01/35/1042690135.db2.gz KOKJDPARRDTCOI-XHSDSOJGSA-N 1 3 312.457 4.139 20 0 DIADHO CC[C@@H](N[C@H](C)c1ccc(C[NH3+])nc1C)c1cccc(Cl)c1 ZINC000422855481 1042691707 /nfs/dbraw/zinc/69/17/07/1042691707.db2.gz DXZNCHSNFFBCQY-FZKQIMNGSA-N 1 3 317.864 4.304 20 0 DIADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423077784 1042697210 /nfs/dbraw/zinc/69/72/10/1042697210.db2.gz UNMGYLMQIYDWLK-IKGGRYGDSA-N 1 3 312.457 4.042 20 0 DIADHO [NH3+][C@@H]1C[C@H](N[C@H]2CC[C@H](c3cccc(F)c3)C2)c2ccccc21 ZINC000423097854 1042698159 /nfs/dbraw/zinc/69/81/59/1042698159.db2.gz RHRWULIEKHUZCN-UQOODKLHSA-N 1 3 310.416 4.196 20 0 DIADHO CCC[C@@H]1CCCC[C@H]1C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423149429 1042698884 /nfs/dbraw/zinc/69/88/84/1042698884.db2.gz APLNMVVJLUOUBD-OIISXLGYSA-N 1 3 303.494 4.106 20 0 DIADHO C[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(-c2ccccc2)s1 ZINC000423203027 1042700112 /nfs/dbraw/zinc/70/01/12/1042700112.db2.gz BSTDGONVGVHTNY-LSDHHAIUSA-N 1 3 300.471 4.065 20 0 DIADHO C[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(-c2ccccc2)s1 ZINC000423203026 1042700378 /nfs/dbraw/zinc/70/03/78/1042700378.db2.gz BSTDGONVGVHTNY-HUUCEWRRSA-N 1 3 300.471 4.065 20 0 DIADHO Cc1nc(C(C)C)sc1[C@H](C)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423290293 1042703977 /nfs/dbraw/zinc/70/39/77/1042703977.db2.gz CSPVWYVYPOSTGS-STQMWFEESA-N 1 3 317.502 4.445 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2C[C@H](C)Sc3sccc32)cc1 ZINC000423290661 1042704580 /nfs/dbraw/zinc/70/45/80/1042704580.db2.gz DYZDPAXYBKOXFN-HWWQOWPSSA-N 1 3 318.511 4.483 20 0 DIADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC000423354806 1042707772 /nfs/dbraw/zinc/70/77/72/1042707772.db2.gz HBVVCKVKSYRUAN-GFCCVEGCSA-N 1 3 320.358 4.159 20 0 DIADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CCN1 ZINC000423369882 1042709597 /nfs/dbraw/zinc/70/95/97/1042709597.db2.gz CJQNSTPECNXDLC-LFVTVUPYSA-N 1 3 306.881 4.096 20 0 DIADHO CC[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1F ZINC000423502376 1042715683 /nfs/dbraw/zinc/71/56/83/1042715683.db2.gz DYPGVEMYJIMYGB-MOPGFXCFSA-N 1 3 300.421 4.347 20 0 DIADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc2ccccc2n1 ZINC000423497830 1042716661 /nfs/dbraw/zinc/71/66/61/1042716661.db2.gz HKAILUINJPTXAU-OXJNMPFZSA-N 1 3 319.452 4.366 20 0 DIADHO C[C@H](NCCC1=CC[NH2+]CC1)c1cc(Cl)sc1Cl ZINC000423551725 1042718518 /nfs/dbraw/zinc/71/85/18/1042718518.db2.gz JKCMKJJRIINUNK-VIFPVBQESA-N 1 3 305.274 4.015 20 0 DIADHO C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000514248547 1042776754 /nfs/dbraw/zinc/77/67/54/1042776754.db2.gz RTDCCQMNEBFQFE-XHSDSOJGSA-N 1 3 314.464 4.055 20 0 DIADHO C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000514248544 1042777300 /nfs/dbraw/zinc/77/73/00/1042777300.db2.gz RTDCCQMNEBFQFE-ARFHVFGLSA-N 1 3 314.464 4.055 20 0 DIADHO CN1CCC[C@H]1CC[N@H+](C)C1c2ccccc2-c2ccccc21 ZINC001167966869 1042952382 /nfs/dbraw/zinc/95/23/82/1042952382.db2.gz BHCYCZORWYAPQC-INIZCTEOSA-N 1 3 306.453 4.173 20 0 DIADHO CN1CCC[C@H]1CC[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC001167966869 1042952384 /nfs/dbraw/zinc/95/23/84/1042952384.db2.gz BHCYCZORWYAPQC-INIZCTEOSA-N 1 3 306.453 4.173 20 0 DIADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCC[C@H]3CCCC[C@H]31)C2 ZINC001167968571 1042956547 /nfs/dbraw/zinc/95/65/47/1042956547.db2.gz RQHBLCBTIJDUTA-XGMMJMCCSA-N 1 3 316.533 4.340 20 0 DIADHO c1ccc2c(c1)CCCC[C@H]2NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981808 1042974961 /nfs/dbraw/zinc/97/49/61/1042974961.db2.gz LAQCCBLMBKKXKR-RKKYOWQMSA-N 1 3 324.512 4.449 20 0 DIADHO c1ccc2c(c1)CCCC[C@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981808 1042974964 /nfs/dbraw/zinc/97/49/64/1042974964.db2.gz LAQCCBLMBKKXKR-RKKYOWQMSA-N 1 3 324.512 4.449 20 0 DIADHO C[C@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccncc1 ZINC000173918702 1043055571 /nfs/dbraw/zinc/05/55/71/1043055571.db2.gz WGRUHUUVUNZPQY-MSOLQXFVSA-N 1 3 323.484 4.164 20 0 DIADHO C[C@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccncc1 ZINC000173918702 1043055582 /nfs/dbraw/zinc/05/55/82/1043055582.db2.gz WGRUHUUVUNZPQY-MSOLQXFVSA-N 1 3 323.484 4.164 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCC12CCCCC2 ZINC000665233958 1043291139 /nfs/dbraw/zinc/29/11/39/1043291139.db2.gz URHZJZNMBVZVST-YJBOKZPZSA-N 1 3 301.478 4.002 20 0 DIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](c1ccccc1F)C(C)C ZINC000665241046 1043301803 /nfs/dbraw/zinc/30/18/03/1043301803.db2.gz YTLMSGWCBYGKJK-IFXJQAMLSA-N 1 3 315.436 4.036 20 0 DIADHO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1)c1ccccn1 ZINC001168012142 1043338045 /nfs/dbraw/zinc/33/80/45/1043338045.db2.gz WVBVYRMJTXFICE-DMUMMCEESA-N 1 3 323.484 4.174 20 0 DIADHO CCc1cnccc1[C@@H](C)N[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925685602 1043455274 /nfs/dbraw/zinc/45/52/74/1043455274.db2.gz NSWCGAVJYAXLTJ-HZPDHXFCSA-N 1 3 311.473 4.117 20 0 DIADHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)NCCC(C)(C)[NH3+] ZINC000925742645 1043460078 /nfs/dbraw/zinc/46/00/78/1043460078.db2.gz WEGUKMANJXKJKM-LLVKDONJSA-N 1 3 321.465 4.036 20 0 DIADHO c1[nH]c2ccccc2c1CN1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001279172953 1043562830 /nfs/dbraw/zinc/56/28/30/1043562830.db2.gz NSOWCHNGKRRWMB-UHFFFAOYSA-N 1 3 323.484 4.008 20 0 DIADHO Cc1occc1C[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168019227 1043566478 /nfs/dbraw/zinc/56/64/78/1043566478.db2.gz HPHHVMFABQGLID-CWPLJXCYSA-N 1 3 312.457 4.119 20 0 DIADHO C[C@@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000926510166 1043590558 /nfs/dbraw/zinc/59/05/58/1043590558.db2.gz KTEXUFMGPRYBOH-JXXFODFXSA-N 1 3 324.468 4.311 20 0 DIADHO C[C@@H](NCc1ccc2occc2c1)c1cccc(C[NH+](C)C)c1 ZINC000926686711 1043616736 /nfs/dbraw/zinc/61/67/36/1043616736.db2.gz YVRFFYNWTLRTPQ-OAHLLOKOSA-N 1 3 308.425 4.345 20 0 DIADHO Clc1ccc2c(c1)CC[C@H]2N1CCC(C[NH+]2CCCC2)CC1 ZINC000777686454 1043742292 /nfs/dbraw/zinc/74/22/92/1043742292.db2.gz ASXXKQOPIPXTEO-LJQANCHMSA-N 1 3 318.892 4.135 20 0 DIADHO C[C@H]([NH2+]CC[C@@H]1CCCC1(F)F)[C@@H]1CCCN(C2CCC2)C1 ZINC000878412703 1043885016 /nfs/dbraw/zinc/88/50/16/1043885016.db2.gz ZODHWLYMFSPGCO-XHSDSOJGSA-N 1 3 314.464 4.055 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000561839122 1044012226 /nfs/dbraw/zinc/01/22/26/1044012226.db2.gz ICCZGQHUQMJPSP-UHFFFAOYSA-N 1 3 306.881 4.182 20 0 DIADHO CC[C@H]([NH2+]CC[C@@H](C)N1CCCCC1)c1cccc(OC)c1 ZINC000346872282 1044167260 /nfs/dbraw/zinc/16/72/60/1044167260.db2.gz XJTNNDDWDXSYDG-APWZRJJASA-N 1 3 304.478 4.000 20 0 DIADHO Cc1ccc(C[NH2+]Cc2ccc(F)c(CN(C)C)c2)c(Cl)c1 ZINC000563252953 1044238302 /nfs/dbraw/zinc/23/83/02/1044238302.db2.gz ZBWJWFLDHWWFOU-UHFFFAOYSA-N 1 3 320.839 4.139 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000563570853 1044282995 /nfs/dbraw/zinc/28/29/95/1044282995.db2.gz JUQIIEYZFYKPIY-ATZDWAIDSA-N 1 3 320.908 4.296 20 0 DIADHO CN1CCC2(CCC[N@@H+]2[C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000475133287 1044284071 /nfs/dbraw/zinc/28/40/71/1044284071.db2.gz ZAOUGMQZBWHCLF-VQTJNVASSA-N 1 3 312.501 4.057 20 0 DIADHO CN1CCC2(CCC[N@H+]2[C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000475133287 1044284081 /nfs/dbraw/zinc/28/40/81/1044284081.db2.gz ZAOUGMQZBWHCLF-VQTJNVASSA-N 1 3 312.501 4.057 20 0 DIADHO CCCCN1CCC([NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000360854820 1044318807 /nfs/dbraw/zinc/31/88/07/1044318807.db2.gz CTYFSPMUWYXSEM-KRWDZBQOSA-N 1 3 304.478 4.147 20 0 DIADHO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000566039415 1044471620 /nfs/dbraw/zinc/47/16/20/1044471620.db2.gz OVMONCXDCOGDLM-ZCNNSNEGSA-N 1 3 300.490 4.067 20 0 DIADHO Cc1cc2cc([C@H](C)NCc3ccc(C[NH3+])cc3)oc2cc1C ZINC000566244894 1044477893 /nfs/dbraw/zinc/47/78/93/1044477893.db2.gz MFTSJGVHCHNLKT-HNNXBMFYSA-N 1 3 308.425 4.359 20 0 DIADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000566587745 1044500556 /nfs/dbraw/zinc/50/05/56/1044500556.db2.gz FNJBFTCLAIOGEW-PMPSAXMXSA-N 1 3 308.897 4.152 20 0 DIADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(-c2ccncc2)c1 ZINC000295811945 1044562235 /nfs/dbraw/zinc/56/22/35/1044562235.db2.gz BCMJHVZSMDVAHI-KOVLHOQQSA-N 1 3 321.468 4.024 20 0 DIADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(-c2ccncc2)c1 ZINC000295811945 1044562244 /nfs/dbraw/zinc/56/22/44/1044562244.db2.gz BCMJHVZSMDVAHI-KOVLHOQQSA-N 1 3 321.468 4.024 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000567966220 1044594679 /nfs/dbraw/zinc/59/46/79/1044594679.db2.gz VAAXMJSJRFJESL-WXLSXGNJSA-N 1 3 320.443 4.064 20 0 DIADHO C[NH+](C)CCOc1cccc(Nc2ccnc(C3CCC3)c2)c1 ZINC001212806300 1044611563 /nfs/dbraw/zinc/61/15/63/1044611563.db2.gz WYERDNZNPMKMDL-UHFFFAOYSA-N 1 3 311.429 4.033 20 0 DIADHO Cc1ccc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000568524047 1044631567 /nfs/dbraw/zinc/63/15/67/1044631567.db2.gz PTEOVRIGOPEVHR-DENIHFKCSA-N 1 3 322.496 4.480 20 0 DIADHO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000568524047 1044631576 /nfs/dbraw/zinc/63/15/76/1044631576.db2.gz PTEOVRIGOPEVHR-DENIHFKCSA-N 1 3 322.496 4.480 20 0 DIADHO Cc1ccc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000568524050 1044632441 /nfs/dbraw/zinc/63/24/41/1044632441.db2.gz PTEOVRIGOPEVHR-KNQAVFIVSA-N 1 3 322.496 4.480 20 0 DIADHO Cc1ccc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000568524050 1044632449 /nfs/dbraw/zinc/63/24/49/1044632449.db2.gz PTEOVRIGOPEVHR-KNQAVFIVSA-N 1 3 322.496 4.480 20 0 DIADHO CC[C@@H](c1ccc(F)cc1F)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000523442176 1044638380 /nfs/dbraw/zinc/63/83/80/1044638380.db2.gz ONOZKYGOYFXDGF-IBGZPJMESA-N 1 3 324.459 4.468 20 0 DIADHO CC[C@@H](c1ccc(F)cc1F)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000523442176 1044638392 /nfs/dbraw/zinc/63/83/92/1044638392.db2.gz ONOZKYGOYFXDGF-IBGZPJMESA-N 1 3 324.459 4.468 20 0 DIADHO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC000570764250 1044780527 /nfs/dbraw/zinc/78/05/27/1044780527.db2.gz FUUOQKUUVOMZCO-WNHJNPCNSA-N 1 3 304.522 4.221 20 0 DIADHO C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccs1 ZINC000123022743 1044780641 /nfs/dbraw/zinc/78/06/41/1044780641.db2.gz FOCHBJQTLWTNOS-OAHLLOKOSA-N 1 3 300.471 4.195 20 0 DIADHO Cc1cc([C@H](C)NCc2cccc(C[NH+](C)C)c2)c(C)s1 ZINC000123600796 1044786318 /nfs/dbraw/zinc/78/63/18/1044786318.db2.gz MXVGZXLXQFBTCE-AWEZNQCLSA-N 1 3 302.487 4.277 20 0 DIADHO Cc1nc2ccc(Nc3c[nH+]ccc3N3CCCCC3)cc2[nH]1 ZINC001213072527 1044951990 /nfs/dbraw/zinc/95/19/90/1044951990.db2.gz YKMFHMXNRSVJIN-UHFFFAOYSA-N 1 3 307.401 4.000 20 0 DIADHO C[C@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccc(F)c2ccccc21 ZINC000575213513 1044993099 /nfs/dbraw/zinc/99/30/99/1044993099.db2.gz FQAWGIADOMHKDV-GJZGRUSLSA-N 1 3 300.421 4.114 20 0 DIADHO C[C@H](NCC[C@@H]1CCC[N@H+]1C)c1ccc(F)c2ccccc21 ZINC000575213513 1044993108 /nfs/dbraw/zinc/99/31/08/1044993108.db2.gz FQAWGIADOMHKDV-GJZGRUSLSA-N 1 3 300.421 4.114 20 0 DIADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(F)c2ccccc21 ZINC000575213513 1044993119 /nfs/dbraw/zinc/99/31/19/1044993119.db2.gz FQAWGIADOMHKDV-GJZGRUSLSA-N 1 3 300.421 4.114 20 0 DIADHO C[C@@H](c1ccncc1)N(C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411413297 1045006931 /nfs/dbraw/zinc/00/69/31/1045006931.db2.gz CYJMEGSAINEWAQ-SFHVURJKSA-N 1 3 323.484 4.261 20 0 DIADHO CN1CCCC[C@@H]1CC[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000576400991 1045055441 /nfs/dbraw/zinc/05/54/41/1045055441.db2.gz PFEIVULXZVJCPV-MRXNPFEDSA-N 1 3 322.443 4.019 20 0 DIADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cc2ccccc2s1 ZINC000446938533 1045072695 /nfs/dbraw/zinc/07/26/95/1045072695.db2.gz WUBYVEHCFLZYLW-BPUTZDHNSA-N 1 3 302.487 4.425 20 0 DIADHO C[C@H](NCc1ccc(Cl)s1)c1cccc(C[NH+](C)C)c1 ZINC000924812414 1045201083 /nfs/dbraw/zinc/20/10/83/1045201083.db2.gz DMBGWXVXWSDIAZ-LBPRGKRZSA-N 1 3 308.878 4.314 20 0 DIADHO C(C1CCCCC1)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000924854352 1045203570 /nfs/dbraw/zinc/20/35/70/1045203570.db2.gz GWMQFQWTEMVIHV-YQQQUEKLSA-N 1 3 322.562 4.047 20 0 DIADHO Cc1ccccc1-c1ccccc1C[NH+]1CCC(N(C)C)CC1 ZINC000449013484 1045331019 /nfs/dbraw/zinc/33/10/19/1045331019.db2.gz LBDDDSZHQWXSBI-UHFFFAOYSA-N 1 3 308.469 4.188 20 0 DIADHO Cc1ccccc1-c1ccccc1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000449036533 1045337219 /nfs/dbraw/zinc/33/72/19/1045337219.db2.gz UNEAQDPFPLXJSK-SFHVURJKSA-N 1 3 308.469 4.046 20 0 DIADHO Cc1cc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cs1 ZINC000449162669 1045356820 /nfs/dbraw/zinc/35/68/20/1045356820.db2.gz SSEGCNCHLNMIHP-DOTOQJQBSA-N 1 3 320.527 4.291 20 0 DIADHO Cc1cc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cs1 ZINC000449162669 1045356826 /nfs/dbraw/zinc/35/68/26/1045356826.db2.gz SSEGCNCHLNMIHP-DOTOQJQBSA-N 1 3 320.527 4.291 20 0 DIADHO c1cc2cccc(CNCc3cccc(C[NH+]4CCCC4)c3)c2o1 ZINC000449218445 1045363417 /nfs/dbraw/zinc/36/34/17/1045363417.db2.gz IGHASGUVIZZRJV-UHFFFAOYSA-N 1 3 320.436 4.318 20 0 DIADHO C[C@@H](NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@H]1CCCCO1 ZINC000449246958 1045369678 /nfs/dbraw/zinc/36/96/78/1045369678.db2.gz DZXMDWAASPYUBG-SJLPKXTDSA-N 1 3 324.553 4.213 20 0 DIADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2CCCC2(F)F)CC1 ZINC000449499649 1045403096 /nfs/dbraw/zinc/40/30/96/1045403096.db2.gz UCDGXQBOUFSQJF-HLLBOEOZSA-N 1 3 314.464 4.055 20 0 DIADHO Cc1ccccc1-c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000449557165 1045413627 /nfs/dbraw/zinc/41/36/27/1045413627.db2.gz QDKLZBQXGYPBIZ-SEJPIABJSA-N 1 3 320.480 4.377 20 0 DIADHO CC[C@H]([NH2+][C@H](C)c1ccc(CN)nc1C)c1cc(C)ccc1C ZINC000530225299 1045621117 /nfs/dbraw/zinc/62/11/17/1045621117.db2.gz VIWYMDNGEAZQSS-UZLBHIALSA-N 1 3 311.473 4.267 20 0 DIADHO CC[C@@H]([NH2+][C@H](C)c1ccc(CN)nc1C)c1cc(C)ccc1C ZINC000530225298 1045621806 /nfs/dbraw/zinc/62/18/06/1045621806.db2.gz VIWYMDNGEAZQSS-OXQOHEQNSA-N 1 3 311.473 4.267 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000629531928 1045675962 /nfs/dbraw/zinc/67/59/62/1045675962.db2.gz FDJJMEYOBLXJJQ-JHVJFLLYSA-N 1 3 323.484 4.384 20 0 DIADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc3ccccc3c2)C[C@@H]1C ZINC000530901851 1045747614 /nfs/dbraw/zinc/74/76/14/1045747614.db2.gz CXTOISUVDJAPJN-LAUBAEHRSA-N 1 3 310.485 4.187 20 0 DIADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc3ccccc3c2)C[C@@H]1C ZINC000530901851 1045747618 /nfs/dbraw/zinc/74/76/18/1045747618.db2.gz CXTOISUVDJAPJN-LAUBAEHRSA-N 1 3 310.485 4.187 20 0 DIADHO COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1C ZINC000753656327 1045785241 /nfs/dbraw/zinc/78/52/41/1045785241.db2.gz ZZCOVEDDJBWJCE-ZWKOTPCHSA-N 1 3 318.505 4.083 20 0 DIADHO COc1cc(C)c([C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1C ZINC000753676536 1045789132 /nfs/dbraw/zinc/78/91/32/1045789132.db2.gz GZOSYAUXZATOED-MRXNPFEDSA-N 1 3 318.505 4.226 20 0 DIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCCc2ncccc21 ZINC000631568562 1045871211 /nfs/dbraw/zinc/87/12/11/1045871211.db2.gz DXPORVVQXZIETE-OAQYLSRUSA-N 1 3 323.484 4.089 20 0 DIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCCc2ncccc21 ZINC000631568562 1045871219 /nfs/dbraw/zinc/87/12/19/1045871219.db2.gz DXPORVVQXZIETE-OAQYLSRUSA-N 1 3 323.484 4.089 20 0 DIADHO COc1ccc([C@@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1Cl ZINC000531688297 1045892645 /nfs/dbraw/zinc/89/26/45/1045892645.db2.gz JNAWCPLUSNQGGT-CQSZACIVSA-N 1 3 324.896 4.120 20 0 DIADHO CCCCCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000531716353 1045905670 /nfs/dbraw/zinc/90/56/70/1045905670.db2.gz RVSAQPOHPJNEMZ-MSOLQXFVSA-N 1 3 318.505 4.248 20 0 DIADHO CCCCCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000531716353 1045905679 /nfs/dbraw/zinc/90/56/79/1045905679.db2.gz RVSAQPOHPJNEMZ-MSOLQXFVSA-N 1 3 318.505 4.248 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc2ncccc12 ZINC001137630636 1045911547 /nfs/dbraw/zinc/91/15/47/1045911547.db2.gz HXZKDBJAGZOUCT-OALUTQOASA-N 1 3 323.484 4.074 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc2ncccc12 ZINC001137630636 1045911557 /nfs/dbraw/zinc/91/15/57/1045911557.db2.gz HXZKDBJAGZOUCT-OALUTQOASA-N 1 3 323.484 4.074 20 0 DIADHO C[C@@H]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)c2sccc21 ZINC000453067476 1045914770 /nfs/dbraw/zinc/91/47/70/1045914770.db2.gz WOOATRLUTHRNMG-DYVFJYSZSA-N 1 3 304.503 4.151 20 0 DIADHO Cc1ccsc1CN[C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902314879 1045972652 /nfs/dbraw/zinc/97/26/52/1045972652.db2.gz HTLBYCUGKNVINV-MRXNPFEDSA-N 1 3 324.440 4.295 20 0 DIADHO Cc1ccccc1CN[C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902326741 1045975236 /nfs/dbraw/zinc/97/52/36/1045975236.db2.gz DORPVJJRMDQDDC-LJQANCHMSA-N 1 3 318.411 4.233 20 0 DIADHO C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-c2cccnc2)cc1 ZINC000902333186 1045978643 /nfs/dbraw/zinc/97/86/43/1045978643.db2.gz HUNUBESLEKHTJU-OXQOHEQNSA-N 1 3 323.484 4.177 20 0 DIADHO COc1ccc([C@@H](C)N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1C ZINC000902406871 1045992320 /nfs/dbraw/zinc/99/23/20/1045992320.db2.gz VTPLYGSFDMEIKO-LSTHTHJFSA-N 1 3 324.468 4.148 20 0 DIADHO C[N@H+](CCCCNCc1cc(Cl)sc1Cl)C1CC1 ZINC000453597983 1046091538 /nfs/dbraw/zinc/09/15/38/1046091538.db2.gz OVTOUDQBDBWSKJ-UHFFFAOYSA-N 1 3 307.290 4.019 20 0 DIADHO C[N@@H+](CCCCNCc1cc(Cl)sc1Cl)C1CC1 ZINC000453597983 1046091550 /nfs/dbraw/zinc/09/15/50/1046091550.db2.gz OVTOUDQBDBWSKJ-UHFFFAOYSA-N 1 3 307.290 4.019 20 0 DIADHO Cc1cc([C@H](C)NCc2ccc(C[NH+](C)C)cc2)cc(C)c1F ZINC000532199945 1046112511 /nfs/dbraw/zinc/11/25/11/1046112511.db2.gz AWBOVVRBKSJNLM-INIZCTEOSA-N 1 3 314.448 4.355 20 0 DIADHO C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-c2ccncc2)cc1 ZINC000635008957 1046170886 /nfs/dbraw/zinc/17/08/86/1046170886.db2.gz FQKSFJGADUQKEH-UZLBHIALSA-N 1 3 323.484 4.177 20 0 DIADHO c1ccc([C@@H](CC2CC2)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903137658 1046171301 /nfs/dbraw/zinc/17/13/01/1046171301.db2.gz OPBPQUGSSLVGFJ-VCYXJBJXSA-N 1 3 310.485 4.275 20 0 DIADHO c1ccc([C@@H](CC2CC2)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903137658 1046171307 /nfs/dbraw/zinc/17/13/07/1046171307.db2.gz OPBPQUGSSLVGFJ-VCYXJBJXSA-N 1 3 310.485 4.275 20 0 DIADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1ccc2cccnc2c1 ZINC001139168188 1046400536 /nfs/dbraw/zinc/40/05/36/1046400536.db2.gz JTJRIFIKYGMQAK-VQTJNVASSA-N 1 3 323.484 4.074 20 0 DIADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1ccc2cccnc2c1 ZINC001139168188 1046400538 /nfs/dbraw/zinc/40/05/38/1046400538.db2.gz JTJRIFIKYGMQAK-VQTJNVASSA-N 1 3 323.484 4.074 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc2cccnc2c1 ZINC001139168188 1046400541 /nfs/dbraw/zinc/40/05/41/1046400541.db2.gz JTJRIFIKYGMQAK-VQTJNVASSA-N 1 3 323.484 4.074 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc2cccnc2c1 ZINC001139168188 1046400542 /nfs/dbraw/zinc/40/05/42/1046400542.db2.gz JTJRIFIKYGMQAK-VQTJNVASSA-N 1 3 323.484 4.074 20 0 DIADHO c1ccc(CCC[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000151549973 1046408259 /nfs/dbraw/zinc/40/82/59/1046408259.db2.gz UHQTZQHVVKVQLB-UHFFFAOYSA-N 1 3 300.490 4.006 20 0 DIADHO Cc1cccc([C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C(C)(C)C)c1 ZINC000677240730 1046476389 /nfs/dbraw/zinc/47/63/89/1046476389.db2.gz JDCLZKVMQXDUBH-FHWLQOOXSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1cccc([C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C(C)(C)C)c1 ZINC000677240730 1046476391 /nfs/dbraw/zinc/47/63/91/1046476391.db2.gz JDCLZKVMQXDUBH-FHWLQOOXSA-N 1 3 300.490 4.299 20 0 DIADHO Fc1cc(Cl)ccc1CNC1CCC([NH+]2CCCCC2)CC1 ZINC000782532139 1046534638 /nfs/dbraw/zinc/53/46/38/1046534638.db2.gz WICOARABVLCCOI-UHFFFAOYSA-N 1 3 324.871 4.366 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc2cnccc21 ZINC001140144610 1046600488 /nfs/dbraw/zinc/60/04/88/1046600488.db2.gz FTQJQWNCILQBNL-PMACEKPBSA-N 1 3 323.484 4.074 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc2cnccc21 ZINC001140144610 1046600493 /nfs/dbraw/zinc/60/04/93/1046600493.db2.gz FTQJQWNCILQBNL-PMACEKPBSA-N 1 3 323.484 4.074 20 0 DIADHO C[C@@H]1C[C@@H]1[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000248825294 1046636908 /nfs/dbraw/zinc/63/69/08/1046636908.db2.gz FYMVSILIKKXRRI-RONGEGOHSA-N 1 3 318.892 4.252 20 0 DIADHO C[C@@H]1C[C@@H]1[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000248825294 1046636910 /nfs/dbraw/zinc/63/69/10/1046636910.db2.gz FYMVSILIKKXRRI-RONGEGOHSA-N 1 3 318.892 4.252 20 0 DIADHO c1csc([C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C2CCCC2)c1 ZINC000643547153 1046671099 /nfs/dbraw/zinc/67/10/99/1046671099.db2.gz ACHGFXIVQIFAMC-NVXWUHKLSA-N 1 3 304.503 4.244 20 0 DIADHO c1csc([C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C2CCCC2)c1 ZINC000643547153 1046671106 /nfs/dbraw/zinc/67/11/06/1046671106.db2.gz ACHGFXIVQIFAMC-NVXWUHKLSA-N 1 3 304.503 4.244 20 0 DIADHO COc1cc(C)ccc1[C@H](C)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000643543749 1046671722 /nfs/dbraw/zinc/67/17/22/1046671722.db2.gz KINRAWTWAHIOBH-LPHOPBHVSA-N 1 3 312.457 4.134 20 0 DIADHO c1ccc(-c2ccc(CCN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)cc1 ZINC000678598568 1046672924 /nfs/dbraw/zinc/67/29/24/1046672924.db2.gz IWVHGRQXVFPMES-YADHBBJMSA-N 1 3 320.480 4.113 20 0 DIADHO c1ccc(-c2ccc(CCN[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)cc1 ZINC000678598568 1046672931 /nfs/dbraw/zinc/67/29/31/1046672931.db2.gz IWVHGRQXVFPMES-YADHBBJMSA-N 1 3 320.480 4.113 20 0 DIADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548111 1046673301 /nfs/dbraw/zinc/67/33/01/1046673301.db2.gz MQJCMPUHOMQPPW-GRDNDAEWSA-N 1 3 306.881 4.096 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678769171 1046696710 /nfs/dbraw/zinc/69/67/10/1046696710.db2.gz MUCVHXDARDISHY-UWVAXJGDSA-N 1 3 300.490 4.020 20 0 DIADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678769171 1046696717 /nfs/dbraw/zinc/69/67/17/1046696717.db2.gz MUCVHXDARDISHY-UWVAXJGDSA-N 1 3 300.490 4.020 20 0 DIADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678769171 1046696722 /nfs/dbraw/zinc/69/67/22/1046696722.db2.gz MUCVHXDARDISHY-UWVAXJGDSA-N 1 3 300.490 4.020 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C2(c3ccc(F)cc3)CCC2)CC1 ZINC000679016513 1046759410 /nfs/dbraw/zinc/75/94/10/1046759410.db2.gz PTVRWHYRMYXTRG-UHFFFAOYSA-N 1 3 304.453 4.057 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc2ccncc21 ZINC001140644648 1046830227 /nfs/dbraw/zinc/83/02/27/1046830227.db2.gz WPCXAVJFWAEWPW-PMACEKPBSA-N 1 3 323.484 4.074 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc2ccncc21 ZINC001140644648 1046830245 /nfs/dbraw/zinc/83/02/45/1046830245.db2.gz WPCXAVJFWAEWPW-PMACEKPBSA-N 1 3 323.484 4.074 20 0 DIADHO CC[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000248405916 1046841151 /nfs/dbraw/zinc/84/11/51/1046841151.db2.gz RWEBBSUFGBSQKJ-QRFRQXIXSA-N 1 3 300.490 4.380 20 0 DIADHO CC[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000248405916 1046841166 /nfs/dbraw/zinc/84/11/66/1046841166.db2.gz RWEBBSUFGBSQKJ-QRFRQXIXSA-N 1 3 300.490 4.380 20 0 DIADHO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)c1ccccc1 ZINC000248405916 1046841180 /nfs/dbraw/zinc/84/11/80/1046841180.db2.gz RWEBBSUFGBSQKJ-QRFRQXIXSA-N 1 3 300.490 4.380 20 0 DIADHO CC(C)[N@H+](CCCc1ccccc1Cl)[C@H]1CCCNCC1 ZINC001206581524 1046902886 /nfs/dbraw/zinc/90/28/86/1046902886.db2.gz JXBXYQSXLOFYLX-KRWDZBQOSA-N 1 3 308.897 4.125 20 0 DIADHO CC(C)[N@@H+](CCCc1ccccc1Cl)[C@H]1CCCNCC1 ZINC001206581524 1046902902 /nfs/dbraw/zinc/90/29/02/1046902902.db2.gz JXBXYQSXLOFYLX-KRWDZBQOSA-N 1 3 308.897 4.125 20 0 DIADHO CC[C@@H](c1ccc(F)cc1F)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178136 1047009186 /nfs/dbraw/zinc/00/91/86/1047009186.db2.gz MUUDIMSHDSBRNB-SFHVURJKSA-N 1 3 322.443 4.224 20 0 DIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccs1 ZINC000379624688 1047082000 /nfs/dbraw/zinc/08/20/00/1047082000.db2.gz JPYCVHBPRMTJKU-XYJFISCASA-N 1 3 314.498 4.452 20 0 DIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccs1 ZINC000379624688 1047082013 /nfs/dbraw/zinc/08/20/13/1047082013.db2.gz JPYCVHBPRMTJKU-XYJFISCASA-N 1 3 314.498 4.452 20 0 DIADHO Cc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379651978 1047091588 /nfs/dbraw/zinc/09/15/88/1047091588.db2.gz VOJPAGVKISWNKI-WIYYLYMNSA-N 1 3 308.469 4.138 20 0 DIADHO Cc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379651978 1047091604 /nfs/dbraw/zinc/09/16/04/1047091604.db2.gz VOJPAGVKISWNKI-WIYYLYMNSA-N 1 3 308.469 4.138 20 0 DIADHO C[C@@H]1C[C@H](NC/C=C\c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379657678 1047098059 /nfs/dbraw/zinc/09/80/59/1047098059.db2.gz UJABLMIHCPDBHJ-QATSVWFZSA-N 1 3 320.480 4.343 20 0 DIADHO C[C@@H]1C[C@H](NC/C=C\c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379657678 1047098072 /nfs/dbraw/zinc/09/80/72/1047098072.db2.gz UJABLMIHCPDBHJ-QATSVWFZSA-N 1 3 320.480 4.343 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000536875401 1047117939 /nfs/dbraw/zinc/11/79/39/1047117939.db2.gz HTURNDFHGQYTOE-QGZVFWFLSA-N 1 3 306.881 4.180 20 0 DIADHO CC[NH+](CC)CCC[C@@H](C)NCc1csc(C(C)(C)C)n1 ZINC000098161582 1047156914 /nfs/dbraw/zinc/15/69/14/1047156914.db2.gz JMUUURBTGUCLGN-CQSZACIVSA-N 1 3 311.539 4.041 20 0 DIADHO Cc1cc(Cl)cc(C)c1C[NH2+]C1CCN(C2CCC2)CC1 ZINC000537287405 1047164610 /nfs/dbraw/zinc/16/46/10/1047164610.db2.gz UZTZXRJAYFZDEX-UHFFFAOYSA-N 1 3 306.881 4.063 20 0 DIADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(C(F)(F)F)cc1 ZINC000682649211 1047210352 /nfs/dbraw/zinc/21/03/52/1047210352.db2.gz GJBDPBMBFWBLCL-XJKSGUPXSA-N 1 3 314.395 4.230 20 0 DIADHO CC1(C)C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCS1 ZINC000897793967 1047289711 /nfs/dbraw/zinc/28/97/11/1047289711.db2.gz DWLIEKVEMQJKAQ-INIZCTEOSA-N 1 3 310.551 4.047 20 0 DIADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000212498270 1047429940 /nfs/dbraw/zinc/42/99/40/1047429940.db2.gz VVHJSPUBIQRIEV-CYBMUJFWSA-N 1 3 312.860 4.394 20 0 DIADHO CN1CCC[C@@H]1CC[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168335555 1047486611 /nfs/dbraw/zinc/48/66/11/1047486611.db2.gz NHLFESFDBUCUMJ-NKELODKYSA-N 1 3 320.908 4.440 20 0 DIADHO C[C@H](NCCCCCC[NH3+])c1csc(-c2ccccc2F)n1 ZINC000843340278 1047542389 /nfs/dbraw/zinc/54/23/89/1047542389.db2.gz AAHJADMODVLYKO-ZDUSSCGKSA-N 1 3 321.465 4.119 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2ccc(C(F)F)cc2)CC1 ZINC001143256029 1047544431 /nfs/dbraw/zinc/54/44/31/1047544431.db2.gz AXNUJRKKVTWMTA-UHFFFAOYSA-N 1 3 310.432 4.321 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2ccc(C(F)F)cc2)CC1 ZINC001143256029 1047544438 /nfs/dbraw/zinc/54/44/38/1047544438.db2.gz AXNUJRKKVTWMTA-UHFFFAOYSA-N 1 3 310.432 4.321 20 0 DIADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995521 1047611624 /nfs/dbraw/zinc/61/16/24/1047611624.db2.gz QDYWEPHYVZDSPN-AEFFLSMTSA-N 1 3 300.490 4.007 20 0 DIADHO c1ccc([C@@H]2CCCC[C@H]([NH2+][C@@H]3CCNC4(CCC4)C3)C2)cc1 ZINC000666995758 1047612905 /nfs/dbraw/zinc/61/29/05/1047612905.db2.gz ZFEUHBOLILXYSF-HSALFYBXSA-N 1 3 312.501 4.367 20 0 DIADHO CC(C)C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccccc1F ZINC001168359549 1047692155 /nfs/dbraw/zinc/69/21/55/1047692155.db2.gz BPZKYAZNDLYVAV-FQEVSTJZSA-N 1 3 318.480 4.377 20 0 DIADHO CC[N@@H+]1CC[C@H](N(C)Cc2csc3ccccc23)[C@@H](C)C1 ZINC000538717315 1047699472 /nfs/dbraw/zinc/69/94/72/1047699472.db2.gz TVPQFGBJUGZOFE-YOEHRIQHSA-N 1 3 302.487 4.063 20 0 DIADHO CC[N@H+]1CC[C@H](N(C)Cc2csc3ccccc23)[C@@H](C)C1 ZINC000538717315 1047699473 /nfs/dbraw/zinc/69/94/73/1047699473.db2.gz TVPQFGBJUGZOFE-YOEHRIQHSA-N 1 3 302.487 4.063 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@@H](c2cccs2)C2CCCC2)C1 ZINC000538985387 1047722350 /nfs/dbraw/zinc/72/23/50/1047722350.db2.gz RMKJPRCGIHIENN-CRAIPNDOSA-N 1 3 306.519 4.301 20 0 DIADHO CCCN1CC[C@@H](C[NH2+][C@@H](c2cccs2)C2CCCC2)C1 ZINC000538985389 1047723260 /nfs/dbraw/zinc/72/32/60/1047723260.db2.gz RMKJPRCGIHIENN-MAUKXSAKSA-N 1 3 306.519 4.301 20 0 DIADHO CC(C)Sc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC000539300909 1047744839 /nfs/dbraw/zinc/74/48/39/1047744839.db2.gz QRQHKGUSUGAKSE-WBVHZDCISA-N 1 3 306.519 4.322 20 0 DIADHO CC(C)Sc1ccc([C@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC000539300906 1047745057 /nfs/dbraw/zinc/74/50/57/1047745057.db2.gz QRQHKGUSUGAKSE-DOTOQJQBSA-N 1 3 306.519 4.322 20 0 DIADHO [NH3+]Cc1ccc(Nc2ccc(CN3CCCCC3)c(F)c2)cc1 ZINC001159484314 1047854316 /nfs/dbraw/zinc/85/43/16/1047854316.db2.gz URAVYPGCDKIVCT-UHFFFAOYSA-N 1 3 313.420 4.014 20 0 DIADHO Cc1cccc2c1CC[C@H]2NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479462979 1047899894 /nfs/dbraw/zinc/89/98/94/1047899894.db2.gz HPHZSIIKOYWLJF-DENIHFKCSA-N 1 3 320.480 4.094 20 0 DIADHO Cc1cccc2c1CC[C@H]2NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479462979 1047899908 /nfs/dbraw/zinc/89/99/08/1047899908.db2.gz HPHZSIIKOYWLJF-DENIHFKCSA-N 1 3 320.480 4.094 20 0 DIADHO Clc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)CC2 ZINC000479527370 1047915053 /nfs/dbraw/zinc/91/50/53/1047915053.db2.gz LICHPRMBPZBGTE-IBGZPJMESA-N 1 3 318.892 4.324 20 0 DIADHO CCN(CC)CC[C@H]([NH2+]C[C@@]1(C)CCCS1)c1ccccc1 ZINC001184340882 1048032060 /nfs/dbraw/zinc/03/20/60/1048032060.db2.gz ZSCIUXIBIMUIPJ-RBUKOAKNSA-N 1 3 320.546 4.335 20 0 DIADHO Clc1cccc(CCNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000480093307 1048052263 /nfs/dbraw/zinc/05/22/63/1048052263.db2.gz NKHBVRHYMXCNKL-UHFFFAOYSA-N 1 3 320.908 4.269 20 0 DIADHO Clc1cccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000480093307 1048052281 /nfs/dbraw/zinc/05/22/81/1048052281.db2.gz NKHBVRHYMXCNKL-UHFFFAOYSA-N 1 3 320.908 4.269 20 0 DIADHO C[C@H]1C[C@H](C)CN(CCC[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC001199329165 1048059217 /nfs/dbraw/zinc/05/92/17/1048059217.db2.gz OHVFHHMVWUHEDL-ROUUACIJSA-N 1 3 306.538 4.447 20 0 DIADHO C[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(Cl)cn1 ZINC000480243227 1048097767 /nfs/dbraw/zinc/09/77/67/1048097767.db2.gz RYXCLFBJQSUIHC-OWCLPIDISA-N 1 3 323.912 4.144 20 0 DIADHO C[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(Cl)cn1 ZINC000480243227 1048097783 /nfs/dbraw/zinc/09/77/83/1048097783.db2.gz RYXCLFBJQSUIHC-OWCLPIDISA-N 1 3 323.912 4.144 20 0 DIADHO CC[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(C)c(C)c1 ZINC001168362879 1048132887 /nfs/dbraw/zinc/13/28/87/1048132887.db2.gz MBVHXKOMANMPLL-HXUWFJFHSA-N 1 3 300.490 4.219 20 0 DIADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cc(F)ccc1F ZINC000480608634 1048192335 /nfs/dbraw/zinc/19/23/35/1048192335.db2.gz KKOGQSXTHKIIFC-HUUCEWRRSA-N 1 3 310.432 4.128 20 0 DIADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cc(F)ccc1F ZINC000480608634 1048192337 /nfs/dbraw/zinc/19/23/37/1048192337.db2.gz KKOGQSXTHKIIFC-HUUCEWRRSA-N 1 3 310.432 4.128 20 0 DIADHO COc1ccc([C@H](C)NCCCC[N@@H+]2CCCC[C@H]2C)c(F)c1 ZINC000480607463 1048195125 /nfs/dbraw/zinc/19/51/25/1048195125.db2.gz GDWSGMYXYKBFLI-CVEARBPZSA-N 1 3 322.468 4.140 20 0 DIADHO COc1ccc([C@H](C)NCCCC[N@H+]2CCCC[C@H]2C)c(F)c1 ZINC000480607463 1048195127 /nfs/dbraw/zinc/19/51/27/1048195127.db2.gz GDWSGMYXYKBFLI-CVEARBPZSA-N 1 3 322.468 4.140 20 0 DIADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(F)cc1F ZINC000480623097 1048199731 /nfs/dbraw/zinc/19/97/31/1048199731.db2.gz ZWCPYGVPVSVTFM-HNNXBMFYSA-N 1 3 310.432 4.128 20 0 DIADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccc(F)cc1F ZINC000480625723 1048200258 /nfs/dbraw/zinc/20/02/58/1048200258.db2.gz NOTBYDKJFLMOJC-HUUCEWRRSA-N 1 3 310.432 4.270 20 0 DIADHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccc(F)cc1F ZINC000480625723 1048200270 /nfs/dbraw/zinc/20/02/70/1048200270.db2.gz NOTBYDKJFLMOJC-HUUCEWRRSA-N 1 3 310.432 4.270 20 0 DIADHO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000480693319 1048216704 /nfs/dbraw/zinc/21/67/04/1048216704.db2.gz BIWBNICZGSMLHA-RBSFLKMASA-N 1 3 320.443 4.350 20 0 DIADHO CC(C)[PH+](CCNc1ncccc1CN1CCCC1)C(C)C ZINC001162363513 1048270175 /nfs/dbraw/zinc/27/01/75/1048270175.db2.gz QTRYETWKKSRJNQ-UHFFFAOYSA-N 1 3 321.449 4.388 20 0 DIADHO c1ccc(C2CC(C[NH2+]C3CCN(C4CCCC4)CC3)C2)cc1 ZINC000555232668 1048301918 /nfs/dbraw/zinc/30/19/18/1048301918.db2.gz KIIWOXGEKOETNW-UHFFFAOYSA-N 1 3 312.501 4.177 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(-c3ccccc3)c2)C1 ZINC000481296748 1048356037 /nfs/dbraw/zinc/35/60/37/1048356037.db2.gz URAVNERIUWYVDY-ZWKOTPCHSA-N 1 3 308.469 4.346 20 0 DIADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2cccc(-c3ccccc3)c2)C1 ZINC000481296748 1048356039 /nfs/dbraw/zinc/35/60/39/1048356039.db2.gz URAVNERIUWYVDY-ZWKOTPCHSA-N 1 3 308.469 4.346 20 0 DIADHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2cccc(-c3ccccc3)c2)C1 ZINC000481296748 1048356053 /nfs/dbraw/zinc/35/60/53/1048356053.db2.gz URAVNERIUWYVDY-ZWKOTPCHSA-N 1 3 308.469 4.346 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@@H](CCC(C)C)c2ccc(OC)cc2)C1 ZINC000481301216 1048363309 /nfs/dbraw/zinc/36/33/09/1048363309.db2.gz XZTDOXZKAZAIQU-XLIONFOSSA-N 1 3 318.505 4.104 20 0 DIADHO CC[N@@H+]1CC[C@H](CN[C@@H](CCC(C)C)c2ccc(OC)cc2)C1 ZINC000481301216 1048363325 /nfs/dbraw/zinc/36/33/25/1048363325.db2.gz XZTDOXZKAZAIQU-XLIONFOSSA-N 1 3 318.505 4.104 20 0 DIADHO CC[N@H+]1CC[C@H](CN[C@@H](CCC(C)C)c2ccc(OC)cc2)C1 ZINC000481301216 1048363330 /nfs/dbraw/zinc/36/33/30/1048363330.db2.gz XZTDOXZKAZAIQU-XLIONFOSSA-N 1 3 318.505 4.104 20 0 DIADHO Cc1cccc(-c2cccc(CN[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2)c1 ZINC000481920654 1048528727 /nfs/dbraw/zinc/52/87/27/1048528727.db2.gz FSBZXTXRUBLLMD-LAUBAEHRSA-N 1 3 308.469 4.234 20 0 DIADHO Cc1cccc(-c2cccc(CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2)c1 ZINC000481920654 1048528736 /nfs/dbraw/zinc/52/87/36/1048528736.db2.gz FSBZXTXRUBLLMD-LAUBAEHRSA-N 1 3 308.469 4.234 20 0 DIADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000156339394 1048539946 /nfs/dbraw/zinc/53/99/46/1048539946.db2.gz HLOHSEMAXZYOAW-OAHLLOKOSA-N 1 3 320.908 4.268 20 0 DIADHO Cc1ccc(C[C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C2CC2)cc1 ZINC000482321612 1048587109 /nfs/dbraw/zinc/58/71/09/1048587109.db2.gz PTWVKQNZXZQYPW-TZIWHRDSSA-N 1 3 314.517 4.026 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)C(C)(C)c2ccccc2)C1 ZINC000482343532 1048589473 /nfs/dbraw/zinc/58/94/73/1048589473.db2.gz HRLJKQGLTQXKLS-ZWKOTPCHSA-N 1 3 302.506 4.063 20 0 DIADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000482352181 1048591124 /nfs/dbraw/zinc/59/11/24/1048591124.db2.gz AIVMOGZNBUIYGH-QUCCMNQESA-N 1 3 320.496 4.103 20 0 DIADHO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000482438078 1048609094 /nfs/dbraw/zinc/60/90/94/1048609094.db2.gz LESARQUQTXOFHI-PZJWPPBQSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1ccccc1[C@H](C)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000482438078 1048609103 /nfs/dbraw/zinc/60/91/03/1048609103.db2.gz LESARQUQTXOFHI-PZJWPPBQSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1ccccc1[C@H](C)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482438078 1048609112 /nfs/dbraw/zinc/60/91/12/1048609112.db2.gz LESARQUQTXOFHI-PZJWPPBQSA-N 1 3 322.496 4.210 20 0 DIADHO CCC(C)(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716622496 1048678515 /nfs/dbraw/zinc/67/85/15/1048678515.db2.gz VNRRXEVCCALWBF-ZCNNSNEGSA-N 1 3 314.517 4.455 20 0 DIADHO Cc1ccc([C@H](C)C[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000483293029 1048766943 /nfs/dbraw/zinc/76/69/43/1048766943.db2.gz CCHSTVJIFAVEDX-GOSISDBHSA-N 1 3 314.517 4.485 20 0 DIADHO CCC(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716653649 1048785890 /nfs/dbraw/zinc/78/58/90/1048785890.db2.gz BFNQYAHQMAIFJD-OTWHNJEPSA-N 1 3 300.490 4.065 20 0 DIADHO COc1ccc([C@@H](C)[NH2+]CCC2CC2)cc1CN1CCCCC1 ZINC000775412739 1048786068 /nfs/dbraw/zinc/78/60/68/1048786068.db2.gz PCEFQFGIOKUGSV-MRXNPFEDSA-N 1 3 316.489 4.132 20 0 DIADHO C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000483495366 1048804255 /nfs/dbraw/zinc/80/42/55/1048804255.db2.gz YTOSEDBBLDIPMZ-MAODMQOUSA-N 1 3 308.469 4.317 20 0 DIADHO C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000483495366 1048804283 /nfs/dbraw/zinc/80/42/83/1048804283.db2.gz YTOSEDBBLDIPMZ-MAODMQOUSA-N 1 3 308.469 4.317 20 0 DIADHO Cc1c2[nH]cnc2ccc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001166902023 1048810091 /nfs/dbraw/zinc/81/00/91/1048810091.db2.gz VJLNZLONRFCMAX-LJQANCHMSA-N 1 3 320.440 4.120 20 0 DIADHO CCCCCOc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000483726136 1048846839 /nfs/dbraw/zinc/84/68/39/1048846839.db2.gz MCFLMTDWMRQREL-ZIFCJYIRSA-N 1 3 318.505 4.389 20 0 DIADHO CCCCCOc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000483726136 1048846861 /nfs/dbraw/zinc/84/68/61/1048846861.db2.gz MCFLMTDWMRQREL-ZIFCJYIRSA-N 1 3 318.505 4.389 20 0 DIADHO CC(C)Cc1ccc(C[N@H+](C)CC[C@@H]2CCCCN2C)cc1 ZINC001191260116 1048900708 /nfs/dbraw/zinc/90/07/08/1048900708.db2.gz ZTGKNDQLNBNAMV-FQEVSTJZSA-N 1 3 302.506 4.191 20 0 DIADHO CC(C)Cc1ccc(C[N@@H+](C)CC[C@@H]2CCCCN2C)cc1 ZINC001191260116 1048900726 /nfs/dbraw/zinc/90/07/26/1048900726.db2.gz ZTGKNDQLNBNAMV-FQEVSTJZSA-N 1 3 302.506 4.191 20 0 DIADHO CCC[NH+]1CCC(CNCc2cc(Cl)sc2Cl)CC1 ZINC001177736911 1048936381 /nfs/dbraw/zinc/93/63/81/1048936381.db2.gz FWJRTSCSUWZWIP-UHFFFAOYSA-N 1 3 321.317 4.267 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000484467468 1048940372 /nfs/dbraw/zinc/94/03/72/1048940372.db2.gz OWALVMZLZIUIQQ-MAZHCROVSA-N 1 3 314.395 4.229 20 0 DIADHO CN1CC2(C1)CC[NH+](Cc1cccc(Oc3ccccc3)c1)CC2 ZINC001203815602 1049006608 /nfs/dbraw/zinc/00/66/08/1049006608.db2.gz RREPMTXYPKMVAB-UHFFFAOYSA-N 1 3 322.452 4.007 20 0 DIADHO c1c[nH]c([C@@H]2CCCN2Cc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC001191939416 1049019838 /nfs/dbraw/zinc/01/98/38/1049019838.db2.gz UIZXPINUBFDXNC-NRFANRHFSA-N 1 3 323.484 4.338 20 0 DIADHO Cc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000195132140 1049070055 /nfs/dbraw/zinc/07/00/55/1049070055.db2.gz YMYSLWZTYDQSKP-AEFFLSMTSA-N 1 3 314.498 4.229 20 0 DIADHO Cc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000195132140 1049070071 /nfs/dbraw/zinc/07/00/71/1049070071.db2.gz YMYSLWZTYDQSKP-AEFFLSMTSA-N 1 3 314.498 4.229 20 0 DIADHO c1ccc2c(C[N@H+]3CCCC[C@H]3CCN3CCCC3)ccnc2c1 ZINC001204086539 1049079568 /nfs/dbraw/zinc/07/95/68/1049079568.db2.gz DBPMOIJYZAXWJI-IBGZPJMESA-N 1 3 323.484 4.075 20 0 DIADHO c1ccc2c(C[N@@H+]3CCCC[C@H]3CCN3CCCC3)ccnc2c1 ZINC001204086539 1049079580 /nfs/dbraw/zinc/07/95/80/1049079580.db2.gz DBPMOIJYZAXWJI-IBGZPJMESA-N 1 3 323.484 4.075 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccnc2ccccc12 ZINC001204091741 1049084890 /nfs/dbraw/zinc/08/48/90/1049084890.db2.gz RPUJXSTXAJXKII-OALUTQOASA-N 1 3 323.484 4.074 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccnc2ccccc12 ZINC001204091741 1049084902 /nfs/dbraw/zinc/08/49/02/1049084902.db2.gz RPUJXSTXAJXKII-OALUTQOASA-N 1 3 323.484 4.074 20 0 DIADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1ccnc2ccccc12 ZINC001204091741 1049084909 /nfs/dbraw/zinc/08/49/09/1049084909.db2.gz RPUJXSTXAJXKII-OALUTQOASA-N 1 3 323.484 4.074 20 0 DIADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1ccnc2ccccc12 ZINC001204091741 1049084917 /nfs/dbraw/zinc/08/49/17/1049084917.db2.gz RPUJXSTXAJXKII-OALUTQOASA-N 1 3 323.484 4.074 20 0 DIADHO C[C@H]1C[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)C[C@@H](C)C1 ZINC001179111414 1049133795 /nfs/dbraw/zinc/13/37/95/1049133795.db2.gz ZFYBHZUCPYPCAC-PIIMJCKOSA-N 1 3 306.538 4.445 20 0 DIADHO CCC1(CC)CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC001179266581 1049149612 /nfs/dbraw/zinc/14/96/12/1049149612.db2.gz QYMWWPWRZROBTN-SFHVURJKSA-N 1 3 306.538 4.447 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2ccc(OC(C)C)cc2)CC1 ZINC001204455600 1049166741 /nfs/dbraw/zinc/16/67/41/1049166741.db2.gz ALYRLKBCCVWOIS-UHFFFAOYSA-N 1 3 318.505 4.170 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2ccc(OC(C)C)cc2)CC1 ZINC001204455600 1049166746 /nfs/dbraw/zinc/16/67/46/1049166746.db2.gz ALYRLKBCCVWOIS-UHFFFAOYSA-N 1 3 318.505 4.170 20 0 DIADHO Cc1ccccc1SC[C@H](C)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC001193392897 1049205693 /nfs/dbraw/zinc/20/56/93/1049205693.db2.gz OHYGBUVLBYJZFW-AEFFLSMTSA-N 1 3 320.546 4.139 20 0 DIADHO Cc1ccccc1SC[C@H](C)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC001193392897 1049205708 /nfs/dbraw/zinc/20/57/08/1049205708.db2.gz OHYGBUVLBYJZFW-AEFFLSMTSA-N 1 3 320.546 4.139 20 0 DIADHO CCN(CC)CC[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC001179805921 1049208608 /nfs/dbraw/zinc/20/86/08/1049208608.db2.gz VNGDONSDTOFTEX-RBUKOAKNSA-N 1 3 318.505 4.007 20 0 DIADHO CN1CCC[C@H]2C[N@@H+](C3c4ccccc4-c4ccccc43)CC[C@@H]21 ZINC000485335779 1049223528 /nfs/dbraw/zinc/22/35/28/1049223528.db2.gz GQCAAPFTYMNWOC-KKSFZXQISA-N 1 3 318.464 4.173 20 0 DIADHO CN1CCC[C@H]2C[N@H+](C3c4ccccc4-c4ccccc43)CC[C@@H]21 ZINC000485335779 1049223536 /nfs/dbraw/zinc/22/35/36/1049223536.db2.gz GQCAAPFTYMNWOC-KKSFZXQISA-N 1 3 318.464 4.173 20 0 DIADHO Cc1csc([C@H](C)NCCCCCCC[NH+]2CCCC2)n1 ZINC000858361730 1049247276 /nfs/dbraw/zinc/24/72/76/1049247276.db2.gz ADZMFBCKMUYGOV-INIZCTEOSA-N 1 3 309.523 4.148 20 0 DIADHO CN1CCCC[C@H]1CC[N@H+](C)Cc1cccc(CC2CCC2)c1 ZINC001180097393 1049275659 /nfs/dbraw/zinc/27/56/59/1049275659.db2.gz DAVMRSHZVUKNRM-NRFANRHFSA-N 1 3 314.517 4.335 20 0 DIADHO CN1CCCC[C@H]1CC[N@@H+](C)Cc1cccc(CC2CCC2)c1 ZINC001180097393 1049275672 /nfs/dbraw/zinc/27/56/72/1049275672.db2.gz DAVMRSHZVUKNRM-NRFANRHFSA-N 1 3 314.517 4.335 20 0 DIADHO Cc1cc(Oc2ccccc2)ccc1CN1CCC[C@H]([NH3+])CC1 ZINC001205123927 1049386069 /nfs/dbraw/zinc/38/60/69/1049386069.db2.gz HKGDQDSOGGVIRT-SFHVURJKSA-N 1 3 310.441 4.101 20 0 DIADHO C[C@@]1([NH3+])CCCN(Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC001205265284 1049421317 /nfs/dbraw/zinc/42/13/17/1049421317.db2.gz PMDQMHPHFMNSMC-HXUWFJFHSA-N 1 3 310.441 4.182 20 0 DIADHO C[C@@]1([NH3+])CCCN(Cc2cccc(-c3ccsc3)c2)CC1 ZINC001205272926 1049423159 /nfs/dbraw/zinc/42/31/59/1049423159.db2.gz AROLOZUJQCRYES-GOSISDBHSA-N 1 3 300.471 4.118 20 0 DIADHO C[C@@]1([NH3+])CCCN(Cc2ccc3oc4ccccc4c3c2)CC1 ZINC001205273283 1049423934 /nfs/dbraw/zinc/42/39/34/1049423934.db2.gz JLWVQCYQPUCCCX-HXUWFJFHSA-N 1 3 308.425 4.289 20 0 DIADHO c1cc2c(cccc2C[N@H+]2CCCC[C@@H]2CCN2CCCC2)[nH]1 ZINC001205281962 1049427733 /nfs/dbraw/zinc/42/77/33/1049427733.db2.gz KEWQOKQAVKDXCL-GOSISDBHSA-N 1 3 311.473 4.008 20 0 DIADHO c1cc2c(cccc2C[N@@H+]2CCCC[C@@H]2CCN2CCCC2)[nH]1 ZINC001205281962 1049427734 /nfs/dbraw/zinc/42/77/34/1049427734.db2.gz KEWQOKQAVKDXCL-GOSISDBHSA-N 1 3 311.473 4.008 20 0 DIADHO c1cc2c(cccc2CN2CCCC[C@@H]2CC[NH+]2CCCC2)[nH]1 ZINC001205281962 1049427739 /nfs/dbraw/zinc/42/77/39/1049427739.db2.gz KEWQOKQAVKDXCL-GOSISDBHSA-N 1 3 311.473 4.008 20 0 DIADHO C[C@@H]1CCNCC[N@@H+]1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001205324933 1049439337 /nfs/dbraw/zinc/43/93/37/1049439337.db2.gz IBBXNHZSSVOEFI-MRXNPFEDSA-N 1 3 319.452 4.019 20 0 DIADHO C[C@@H]1CCNCC[N@H+]1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001205324933 1049439345 /nfs/dbraw/zinc/43/93/45/1049439345.db2.gz IBBXNHZSSVOEFI-MRXNPFEDSA-N 1 3 319.452 4.019 20 0 DIADHO Cc1cccc(C)c1-c1cccc(C[N@H+]2CCNCC[C@H]2C)c1 ZINC001205333233 1049441437 /nfs/dbraw/zinc/44/14/37/1049441437.db2.gz XZNKMWHRQRYLMG-GOSISDBHSA-N 1 3 308.469 4.154 20 0 DIADHO Cc1cccc(C)c1-c1cccc(C[N@@H+]2CCNCC[C@H]2C)c1 ZINC001205333233 1049441440 /nfs/dbraw/zinc/44/14/40/1049441440.db2.gz XZNKMWHRQRYLMG-GOSISDBHSA-N 1 3 308.469 4.154 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)[C@H]1CCCN(C2CCC2)C1 ZINC001205385834 1049455452 /nfs/dbraw/zinc/45/54/52/1049455452.db2.gz RRTLIPQRFTWZPZ-WZGPROSRSA-N 1 3 304.522 4.198 20 0 DIADHO CC[C@@H](CCc1ccccc1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC001205390684 1049457520 /nfs/dbraw/zinc/45/75/20/1049457520.db2.gz CPIYTZQVLBEAKJ-ICSRJNTNSA-N 1 3 302.506 4.252 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC001205391596 1049458474 /nfs/dbraw/zinc/45/84/74/1049458474.db2.gz PRGQOULTAUBTFM-QUCCMNQESA-N 1 3 302.506 4.252 20 0 DIADHO CC[C@H](CCc1ccccc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC001181426581 1049473516 /nfs/dbraw/zinc/47/35/16/1049473516.db2.gz BHANBOZNFXALOE-LJQANCHMSA-N 1 3 302.506 4.109 20 0 DIADHO C[C@H]([NH2+]C1CCN(CC2CCCCC2)CC1)C1CC(F)(F)C1 ZINC000862274916 1049484390 /nfs/dbraw/zinc/48/43/90/1049484390.db2.gz XJVQYKZQUSFODM-AWEZNQCLSA-N 1 3 314.464 4.055 20 0 DIADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1sccc1Cl ZINC000486936634 1049496551 /nfs/dbraw/zinc/49/65/51/1049496551.db2.gz GCGSQQJLZINIMR-ZDUSSCGKSA-N 1 3 300.899 4.146 20 0 DIADHO C[C@H]1CCCC[N@H+]1CCCCNCc1sccc1Cl ZINC000486936634 1049496557 /nfs/dbraw/zinc/49/65/57/1049496557.db2.gz GCGSQQJLZINIMR-ZDUSSCGKSA-N 1 3 300.899 4.146 20 0 DIADHO Cc1cc(C)c(/C=C/C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1C ZINC001181707042 1049504961 /nfs/dbraw/zinc/50/49/61/1049504961.db2.gz IHAVTSBJHVCRDJ-SZGWODLWSA-N 1 3 312.501 4.182 20 0 DIADHO Cc1cc(C)c(/C=C/C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1C ZINC001181707042 1049504971 /nfs/dbraw/zinc/50/49/71/1049504971.db2.gz IHAVTSBJHVCRDJ-SZGWODLWSA-N 1 3 312.501 4.182 20 0 DIADHO CC(C)CC[NH+]1CCC(CN[C@H](C)c2cccnc2Cl)CC1 ZINC000163579713 1049513624 /nfs/dbraw/zinc/51/36/24/1049513624.db2.gz SIHQLTBUSJTHCN-OAHLLOKOSA-N 1 3 323.912 4.144 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C[C@H]2[C@H](c3ccccc3)C2(C)C)CC1 ZINC001182251948 1049595181 /nfs/dbraw/zinc/59/51/81/1049595181.db2.gz UVLGSMVXXDRUAA-OALUTQOASA-N 1 3 314.517 4.279 20 0 DIADHO N[C@H]1CCCC[N@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001205932324 1049606845 /nfs/dbraw/zinc/60/68/45/1049606845.db2.gz QNEYTRPWVGTHQT-HNNXBMFYSA-N 1 3 310.466 4.368 20 0 DIADHO N[C@H]1CCCC[N@@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001205932324 1049606851 /nfs/dbraw/zinc/60/68/51/1049606851.db2.gz QNEYTRPWVGTHQT-HNNXBMFYSA-N 1 3 310.466 4.368 20 0 DIADHO CCCC[N@H+](CCc1ccncc1)C1CC(C)(C)NC(C)(C)C1 ZINC001196544224 1049671113 /nfs/dbraw/zinc/67/11/13/1049671113.db2.gz CAKSGBVNUURITK-UHFFFAOYSA-N 1 3 317.521 4.035 20 0 DIADHO CCCC[N@@H+](CCc1ccncc1)C1CC(C)(C)NC(C)(C)C1 ZINC001196544224 1049671134 /nfs/dbraw/zinc/67/11/34/1049671134.db2.gz CAKSGBVNUURITK-UHFFFAOYSA-N 1 3 317.521 4.035 20 0 DIADHO Cc1ccc(CC[N@H+]2CCC[C@H]2CCN2CCC(C)CC2)cc1 ZINC001196936716 1049705751 /nfs/dbraw/zinc/70/57/51/1049705751.db2.gz UALXGCDHODBMHB-NRFANRHFSA-N 1 3 314.517 4.124 20 0 DIADHO Cc1ccc(CC[N@@H+]2CCC[C@H]2CCN2CCC(C)CC2)cc1 ZINC001196936716 1049705764 /nfs/dbraw/zinc/70/57/64/1049705764.db2.gz UALXGCDHODBMHB-NRFANRHFSA-N 1 3 314.517 4.124 20 0 DIADHO Cc1ccc(CCN2CCC[C@H]2CC[NH+]2CCC(C)CC2)cc1 ZINC001196936716 1049705774 /nfs/dbraw/zinc/70/57/74/1049705774.db2.gz UALXGCDHODBMHB-NRFANRHFSA-N 1 3 314.517 4.124 20 0 DIADHO Cc1ccc(CN2CCC[C@](C)(C[NH3+])CC2)c(Cl)c1Cl ZINC001206318554 1049709486 /nfs/dbraw/zinc/70/94/86/1049709486.db2.gz REGYPDQQNQXZNX-INIZCTEOSA-N 1 3 315.288 4.253 20 0 DIADHO Cc1cc(Cl)c(CN2CCC[C@@](C)(C[NH3+])CC2)c(Cl)c1 ZINC001206324438 1049712153 /nfs/dbraw/zinc/71/21/53/1049712153.db2.gz BHXCVMQJZHEALX-MRXNPFEDSA-N 1 3 315.288 4.253 20 0 DIADHO Cc1cc(Cl)c(Cl)cc1CN1CCC[C@](C)(C[NH3+])CC1 ZINC001206326259 1049713633 /nfs/dbraw/zinc/71/36/33/1049713633.db2.gz MBZKSEDDUJDKLS-INIZCTEOSA-N 1 3 315.288 4.253 20 0 DIADHO Cc1cc(Cl)c(Cl)cc1CN1CCC[C@@](C)(C[NH3+])CC1 ZINC001206326260 1049713677 /nfs/dbraw/zinc/71/36/77/1049713677.db2.gz MBZKSEDDUJDKLS-MRXNPFEDSA-N 1 3 315.288 4.253 20 0 DIADHO [NH3+]CCC1CCN(Cc2sccc2Oc2ccccc2)CC1 ZINC001206500713 1049744906 /nfs/dbraw/zinc/74/49/06/1049744906.db2.gz PXUOZAXAZCBOBG-UHFFFAOYSA-N 1 3 316.470 4.101 20 0 DIADHO CCCCCOc1ccc(CN2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206540551 1049754144 /nfs/dbraw/zinc/75/41/44/1049754144.db2.gz CEXFLMJXBHLUIX-FQEVSTJZSA-N 1 3 318.505 4.207 20 0 DIADHO CC(C)N(Cc1cc2cc(Cl)ccc2[nH]1)[C@H]1CCC[NH2+]CC1 ZINC001206579946 1049761098 /nfs/dbraw/zinc/76/10/98/1049761098.db2.gz BMCLHLBLYBCTMW-KRWDZBQOSA-N 1 3 319.880 4.174 20 0 DIADHO CC(C)N(Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC001206583834 1049762586 /nfs/dbraw/zinc/76/25/86/1049762586.db2.gz XDEXIJSLKDLSRX-INIZCTEOSA-N 1 3 314.395 4.058 20 0 DIADHO CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCCC[C@H](CN)C2)cc1 ZINC001206606116 1049768082 /nfs/dbraw/zinc/76/80/82/1049768082.db2.gz DSEWDWJHVJEPAV-IEBWSBKVSA-N 1 3 302.506 4.049 20 0 DIADHO CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CCCC[C@H](CN)C2)cc1 ZINC001206606116 1049768069 /nfs/dbraw/zinc/76/80/69/1049768069.db2.gz DSEWDWJHVJEPAV-IEBWSBKVSA-N 1 3 302.506 4.049 20 0 DIADHO CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CCCC[C@@H](CN)C2)cc1 ZINC001206606117 1049768515 /nfs/dbraw/zinc/76/85/15/1049768515.db2.gz DSEWDWJHVJEPAV-MJGOQNOKSA-N 1 3 302.506 4.049 20 0 DIADHO CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCCC[C@@H](CN)C2)cc1 ZINC001206606117 1049768522 /nfs/dbraw/zinc/76/85/22/1049768522.db2.gz DSEWDWJHVJEPAV-MJGOQNOKSA-N 1 3 302.506 4.049 20 0 DIADHO [NH3+]C[C@@H]1CCCCN(Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001206606538 1049768907 /nfs/dbraw/zinc/76/89/07/1049768907.db2.gz OMLSUZPSCKTSMA-SFHVURJKSA-N 1 3 310.441 4.040 20 0 DIADHO Cc1csc2sc(CN3C[C@@H](C[NH3+])CC[C@@H]3C)c(C)c12 ZINC001206769080 1049795144 /nfs/dbraw/zinc/79/51/44/1049795144.db2.gz NHKGILVOTFWFGJ-WCQYABFASA-N 1 3 308.516 4.139 20 0 DIADHO C[C@@H]1CC[C@H](C[NH3+])CN1Cc1cc(-c2ccsc2)cs1 ZINC001206807232 1049803183 /nfs/dbraw/zinc/80/31/83/1049803183.db2.gz HYIQBZUBWZMDSS-CHWSQXEVSA-N 1 3 306.500 4.036 20 0 DIADHO Cc1cc(Oc2ccccc2)ccc1CN1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206808154 1049804349 /nfs/dbraw/zinc/80/43/49/1049804349.db2.gz JVUSKSYXGIKUBY-ZWKOTPCHSA-N 1 3 324.468 4.347 20 0 DIADHO CC[N@H+](C)C1CCN(CC(c2ccccc2)c2ccccc2)CC1 ZINC001207526812 1049904733 /nfs/dbraw/zinc/90/47/33/1049904733.db2.gz FMOVSUUJUMAKIJ-UHFFFAOYSA-N 1 3 322.496 4.235 20 0 DIADHO CC[N@@H+](C)C1CCN(CC(c2ccccc2)c2ccccc2)CC1 ZINC001207526812 1049904735 /nfs/dbraw/zinc/90/47/35/1049904735.db2.gz FMOVSUUJUMAKIJ-UHFFFAOYSA-N 1 3 322.496 4.235 20 0 DIADHO C[NH2+]CCC1CCN(Cc2cnc(C3CCCCC3)s2)CC1 ZINC000571403222 1049930886 /nfs/dbraw/zinc/93/08/86/1049930886.db2.gz DUESYRSZQNXLCH-UHFFFAOYSA-N 1 3 321.534 4.012 20 0 DIADHO C[C@@H](c1nccc2ccccc21)[N@@H+]1CCC(C)(C)NC(C)(C)C1 ZINC001207837296 1049943584 /nfs/dbraw/zinc/94/35/84/1049943584.db2.gz OPYGOKAROIXEFA-HNNXBMFYSA-N 1 3 311.473 4.148 20 0 DIADHO C[C@@H](c1nccc2ccccc21)[N@H+]1CCC(C)(C)NC(C)(C)C1 ZINC001207837296 1049943588 /nfs/dbraw/zinc/94/35/88/1049943588.db2.gz OPYGOKAROIXEFA-HNNXBMFYSA-N 1 3 311.473 4.148 20 0 DIADHO Cc1ccc([C@@H](C)CCN2CCCC[C@@H]2CC[NH+]2CCCC2)o1 ZINC001208155757 1049979032 /nfs/dbraw/zinc/97/90/32/1049979032.db2.gz OKMYHZPEKBZLMO-PKOBYXMFSA-N 1 3 318.505 4.422 20 0 DIADHO Cc1ccc([C@@H](C)CC[N@@H+]2CCCC[C@@H]2CCN2CCCC2)o1 ZINC001208155757 1049979036 /nfs/dbraw/zinc/97/90/36/1049979036.db2.gz OKMYHZPEKBZLMO-PKOBYXMFSA-N 1 3 318.505 4.422 20 0 DIADHO Cc1ccc([C@@H](C)CC[N@H+]2CCCC[C@@H]2CCN2CCCC2)o1 ZINC001208155757 1049979040 /nfs/dbraw/zinc/97/90/40/1049979040.db2.gz OKMYHZPEKBZLMO-PKOBYXMFSA-N 1 3 318.505 4.422 20 0 DIADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(c1ccccc1)c1ccccc1 ZINC001208603845 1049997443 /nfs/dbraw/zinc/99/74/43/1049997443.db2.gz GYNFQEZASSATRH-GOSISDBHSA-N 1 3 308.469 4.050 20 0 DIADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(c1ccccc1)c1ccccc1 ZINC001208603845 1049997447 /nfs/dbraw/zinc/99/74/47/1049997447.db2.gz GYNFQEZASSATRH-GOSISDBHSA-N 1 3 308.469 4.050 20 0 DIADHO CCCN1C[C@@H]2C[NH+](C[C@@H](C)c3cccc4ccccc43)C[C@H]2C1 ZINC001208710622 1050005375 /nfs/dbraw/zinc/00/53/75/1050005375.db2.gz RCADQZOHARSDPX-MISYRCLQSA-N 1 3 322.496 4.217 20 0 DIADHO CCC[NH+]1C[C@@H]2CN(C[C@@H](C)c3cccc4ccccc43)C[C@H]2C1 ZINC001208710622 1050005379 /nfs/dbraw/zinc/00/53/79/1050005379.db2.gz RCADQZOHARSDPX-MISYRCLQSA-N 1 3 322.496 4.217 20 0 DIADHO C[C@@H](CN1CCC([NH+]2CCC2)CC1)c1cccc2ccccc21 ZINC001208710406 1050006062 /nfs/dbraw/zinc/00/60/62/1050006062.db2.gz HNRVPRUCYRUWEP-KRWDZBQOSA-N 1 3 308.469 4.113 20 0 DIADHO c1ccc(CN2CCC[C@H](C[NH+]3CCC4(CCC4)CC3)C2)cc1 ZINC001208931296 1050023956 /nfs/dbraw/zinc/02/39/56/1050023956.db2.gz IXDIIJPPOYIYRO-HXUWFJFHSA-N 1 3 312.501 4.165 20 0 DIADHO c1ccc(C[N@H+]2CCC[C@H](CN3CCC4(CCC4)CC3)C2)cc1 ZINC001208931296 1050023960 /nfs/dbraw/zinc/02/39/60/1050023960.db2.gz IXDIIJPPOYIYRO-HXUWFJFHSA-N 1 3 312.501 4.165 20 0 DIADHO c1ccc(C[N@@H+]2CCC[C@H](CN3CCC4(CCC4)CC3)C2)cc1 ZINC001208931296 1050023965 /nfs/dbraw/zinc/02/39/65/1050023965.db2.gz IXDIIJPPOYIYRO-HXUWFJFHSA-N 1 3 312.501 4.165 20 0 DIADHO c1ccc(CN2CCC[C@@H](C[NH+]3CCC4(CCC4)CC3)C2)cc1 ZINC001208931295 1050025894 /nfs/dbraw/zinc/02/58/94/1050025894.db2.gz IXDIIJPPOYIYRO-FQEVSTJZSA-N 1 3 312.501 4.165 20 0 DIADHO c1ccc(C[N@H+]2CCC[C@@H](CN3CCC4(CCC4)CC3)C2)cc1 ZINC001208931295 1050025897 /nfs/dbraw/zinc/02/58/97/1050025897.db2.gz IXDIIJPPOYIYRO-FQEVSTJZSA-N 1 3 312.501 4.165 20 0 DIADHO c1ccc(C[N@@H+]2CCC[C@@H](CN3CCC4(CCC4)CC3)C2)cc1 ZINC001208931295 1050025904 /nfs/dbraw/zinc/02/59/04/1050025904.db2.gz IXDIIJPPOYIYRO-FQEVSTJZSA-N 1 3 312.501 4.165 20 0 DIADHO Cc1ccccc1CN(C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208937842 1050028069 /nfs/dbraw/zinc/02/80/69/1050028069.db2.gz VKYHPQRFMVUXGN-NRFANRHFSA-N 1 3 322.496 4.339 20 0 DIADHO Cc1ccccc1CN(C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208937842 1050028075 /nfs/dbraw/zinc/02/80/75/1050028075.db2.gz VKYHPQRFMVUXGN-NRFANRHFSA-N 1 3 322.496 4.339 20 0 DIADHO c1cc2ccc(C[N@H+]3CCCC[C@@H]3CCN3CCCC3)cc2[nH]1 ZINC001209512677 1050065400 /nfs/dbraw/zinc/06/54/00/1050065400.db2.gz NRQWBVAISFZQPF-LJQANCHMSA-N 1 3 311.473 4.008 20 0 DIADHO c1cc2ccc(C[N@@H+]3CCCC[C@@H]3CCN3CCCC3)cc2[nH]1 ZINC001209512677 1050065404 /nfs/dbraw/zinc/06/54/04/1050065404.db2.gz NRQWBVAISFZQPF-LJQANCHMSA-N 1 3 311.473 4.008 20 0 DIADHO CC(C)Oc1ccccc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786390 1050106395 /nfs/dbraw/zinc/10/63/95/1050106395.db2.gz VGNNRYYSPOPYPK-UHFFFAOYSA-N 1 3 318.505 4.026 20 0 DIADHO CC(C)Oc1ccccc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786390 1050106396 /nfs/dbraw/zinc/10/63/96/1050106396.db2.gz VGNNRYYSPOPYPK-UHFFFAOYSA-N 1 3 318.505 4.026 20 0 DIADHO CC(C)[N@H+](C)CC1CCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000590786376 1050106845 /nfs/dbraw/zinc/10/68/45/1050106845.db2.gz UOCXGJLLUHLBQE-HNNXBMFYSA-N 1 3 308.897 4.453 20 0 DIADHO CC(C)[N@@H+](C)CC1CCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000590786376 1050106846 /nfs/dbraw/zinc/10/68/46/1050106846.db2.gz UOCXGJLLUHLBQE-HNNXBMFYSA-N 1 3 308.897 4.453 20 0 DIADHO CN1CCCC[C@@H]1CC[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000760803703 1050117195 /nfs/dbraw/zinc/11/71/95/1050117195.db2.gz IGANBJFVMSZGAT-GOSISDBHSA-N 1 3 323.484 4.131 20 0 DIADHO CN1CCCC[C@@H]1CC[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000760803703 1050117196 /nfs/dbraw/zinc/11/71/96/1050117196.db2.gz IGANBJFVMSZGAT-GOSISDBHSA-N 1 3 323.484 4.131 20 0 DIADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171093961 1050321440 /nfs/dbraw/zinc/32/14/40/1050321440.db2.gz JIYJXFFIIUCIID-KRWDZBQOSA-N 1 3 320.908 4.178 20 0 DIADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171096624 1050339131 /nfs/dbraw/zinc/33/91/31/1050339131.db2.gz UPUICNGJKDXDMN-KXBFYZLASA-N 1 3 320.908 4.051 20 0 DIADHO [NH3+]CCCCCCCN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000844220663 1050372345 /nfs/dbraw/zinc/37/23/45/1050372345.db2.gz JCKAETIKKIXXRN-MRXNPFEDSA-N 1 3 317.502 4.342 20 0 DIADHO F[C@@H]1CCCC[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574690817 1050507563 /nfs/dbraw/zinc/50/75/63/1050507563.db2.gz KXNOKRPYHPPGBI-GUDVDZBRSA-N 1 3 316.464 4.054 20 0 DIADHO F[C@@H]1CCCC[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574690817 1050507569 /nfs/dbraw/zinc/50/75/69/1050507569.db2.gz KXNOKRPYHPPGBI-GUDVDZBRSA-N 1 3 316.464 4.054 20 0 DIADHO Cc1nc2ccc(Nc3cccc4c3OCC[C@@H]4[NH+](C)C)cc2[nH]1 ZINC001213076484 1050580592 /nfs/dbraw/zinc/58/05/92/1050580592.db2.gz UCXVQDUOPSBYLU-SFHVURJKSA-N 1 3 322.412 4.000 20 0 DIADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000846151407 1050675101 /nfs/dbraw/zinc/67/51/01/1050675101.db2.gz XVMOXJSOIQNKMI-XUVXKRRUSA-N 1 3 315.505 4.165 20 0 DIADHO FC1(F)CCC([NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC000773115893 1051064501 /nfs/dbraw/zinc/06/45/01/1051064501.db2.gz AWWXAZHMPFTACX-UHFFFAOYSA-N 1 3 314.464 4.199 20 0 DIADHO C[C@H](Cc1ccccc1Cl)[NH2+]CCCN1CCCC[C@@H]1C ZINC001170250184 1051171722 /nfs/dbraw/zinc/17/17/22/1051171722.db2.gz HDONSUKWHNXTLB-CVEARBPZSA-N 1 3 308.897 4.125 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1(C)C ZINC001171628613 1051172517 /nfs/dbraw/zinc/17/25/17/1051172517.db2.gz CVAWVFVQQCKXAA-INIZCTEOSA-N 1 3 320.908 4.048 20 0 DIADHO CC(C)[C@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)c1cccnc1 ZINC001171623283 1051179984 /nfs/dbraw/zinc/17/99/84/1051179984.db2.gz RHDLWSJAZMVUBZ-KRWDZBQOSA-N 1 3 303.494 4.020 20 0 DIADHO CN1C(C)(C)CC([NH2+]CCCCc2ccccc2)CC1(C)C ZINC001171625707 1051181240 /nfs/dbraw/zinc/18/12/40/1051181240.db2.gz MUHMXRHDFPAXCL-UHFFFAOYSA-N 1 3 302.506 4.250 20 0 DIADHO Cc1cnccc1[C@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)C1CC1 ZINC001171626898 1051181274 /nfs/dbraw/zinc/18/12/74/1051181274.db2.gz GLTZMDKFICZFHF-GOSISDBHSA-N 1 3 315.505 4.082 20 0 DIADHO CN1C(C)(C)CC([NH2+]C2(c3cccc(F)c3)CCC2)CC1(C)C ZINC001171627659 1051181945 /nfs/dbraw/zinc/18/19/45/1051181945.db2.gz ZQUDJMXNCICTTG-UHFFFAOYSA-N 1 3 318.480 4.446 20 0 DIADHO Cc1ccc(CC[C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC001171662746 1051185346 /nfs/dbraw/zinc/18/53/46/1051185346.db2.gz DITPXINYPPOZHT-SFHVURJKSA-N 1 3 314.517 4.313 20 0 DIADHO COc1ccc([C@H](C)[N@H+](C)C2CC(C)(C)N(C)C(C)(C)C2)cc1 ZINC001171639781 1051194422 /nfs/dbraw/zinc/19/44/22/1051194422.db2.gz SWNHPGPTMUBJMW-HNNXBMFYSA-N 1 3 318.505 4.339 20 0 DIADHO COc1ccc([C@H](C)[N@@H+](C)C2CC(C)(C)N(C)C(C)(C)C2)cc1 ZINC001171639781 1051194426 /nfs/dbraw/zinc/19/44/26/1051194426.db2.gz SWNHPGPTMUBJMW-HNNXBMFYSA-N 1 3 318.505 4.339 20 0 DIADHO C[NH+]1C(C)(C)CC(N2CCCC[C@H]2c2cccnc2)CC1(C)C ZINC001171638442 1051195640 /nfs/dbraw/zinc/19/56/40/1051195640.db2.gz YCCMSDGSUMONRI-SFHVURJKSA-N 1 3 315.505 4.260 20 0 DIADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@]1(C)Cc1ccccc1Cl ZINC001171900112 1051237269 /nfs/dbraw/zinc/23/72/69/1051237269.db2.gz HIIQSNAMORKZSY-IEBWSBKVSA-N 1 3 320.908 4.221 20 0 DIADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@]1(C)Cc1ccccc1Cl ZINC001171900112 1051237280 /nfs/dbraw/zinc/23/72/80/1051237280.db2.gz HIIQSNAMORKZSY-IEBWSBKVSA-N 1 3 320.908 4.221 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC001171969192 1051258123 /nfs/dbraw/zinc/25/81/23/1051258123.db2.gz UIIOALPZTOHBLB-PKOBYXMFSA-N 1 3 323.484 4.175 20 0 DIADHO Cc1occc1C[NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171984171 1051267756 /nfs/dbraw/zinc/26/77/56/1051267756.db2.gz SHTPWEAMDZSAEZ-IBGZPJMESA-N 1 3 312.457 4.121 20 0 DIADHO C[C@H](c1ccccc1Cl)[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172131098 1051293467 /nfs/dbraw/zinc/29/34/67/1051293467.db2.gz UWTBAPNXPYXKQV-LVQVYYBASA-N 1 3 306.881 4.348 20 0 DIADHO C[C@H](c1ccccc1Cl)[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172131098 1051293476 /nfs/dbraw/zinc/29/34/76/1051293476.db2.gz UWTBAPNXPYXKQV-LVQVYYBASA-N 1 3 306.881 4.348 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(C)(C)c1ccc(Cl)cc1)C2 ZINC001172104132 1051297498 /nfs/dbraw/zinc/29/74/98/1051297498.db2.gz DBSJSKMKRSBXDI-OSYLJGHBSA-N 1 3 306.881 4.180 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(C)(C)c1ccc(Cl)cc1)C2 ZINC001172104132 1051297504 /nfs/dbraw/zinc/29/75/04/1051297504.db2.gz DBSJSKMKRSBXDI-OSYLJGHBSA-N 1 3 306.881 4.180 20 0 DIADHO CCC[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC001172111154 1051299090 /nfs/dbraw/zinc/29/90/90/1051299090.db2.gz QKRZEFKLZPIEJJ-OKYOBFRVSA-N 1 3 304.453 4.272 20 0 DIADHO CCC[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001172111154 1051299095 /nfs/dbraw/zinc/29/90/95/1051299095.db2.gz QKRZEFKLZPIEJJ-OKYOBFRVSA-N 1 3 304.453 4.272 20 0 DIADHO CC[C@@H](C)OCC[C@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001172337693 1051361088 /nfs/dbraw/zinc/36/10/88/1051361088.db2.gz QQMHFPVKOILYMI-ZWKOTPCHSA-N 1 3 324.553 4.214 20 0 DIADHO CCCCN1CCC([NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000193023413 1051370902 /nfs/dbraw/zinc/37/09/02/1051370902.db2.gz NBHAUCLGVDDBEK-QGZVFWFLSA-N 1 3 322.493 4.217 20 0 DIADHO C[C@@H]1CC[C@H]([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)C[C@@H]1C ZINC001172367381 1051379073 /nfs/dbraw/zinc/37/90/73/1051379073.db2.gz KQZIRGJHKKLKGN-LXZJYRNTSA-N 1 3 304.522 4.221 20 0 DIADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172550022 1051432069 /nfs/dbraw/zinc/43/20/69/1051432069.db2.gz AWEPJAXKUADXRO-SXLOBPIMSA-N 1 3 300.490 4.177 20 0 DIADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172552271 1051434165 /nfs/dbraw/zinc/43/41/65/1051434165.db2.gz WOFZQHHOGFFQMU-AEFFLSMTSA-N 1 3 300.490 4.303 20 0 DIADHO CCC[N@H+](CCCN)[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172567042 1051444969 /nfs/dbraw/zinc/44/49/69/1051444969.db2.gz BRQUHRZOOHBQOT-GFCCVEGCSA-N 1 3 318.839 4.000 20 0 DIADHO CCC[N@@H+](CCCN)[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172567042 1051444973 /nfs/dbraw/zinc/44/49/73/1051444973.db2.gz BRQUHRZOOHBQOT-GFCCVEGCSA-N 1 3 318.839 4.000 20 0 DIADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172535229 1051450562 /nfs/dbraw/zinc/45/05/62/1051450562.db2.gz FEQJBWHUDXIKOI-YSTOQKLRSA-N 1 3 300.490 4.175 20 0 DIADHO c1ccc([C@@H]2CCC[C@H](N3CCC([NH+]4CCCC4)CC3)C2)cc1 ZINC001172547539 1051457220 /nfs/dbraw/zinc/45/72/20/1051457220.db2.gz VMUNGTCDTONIHC-CTNGQTDRSA-N 1 3 312.501 4.273 20 0 DIADHO c1ccc([C@@H]2CCC[C@H]([NH+]3CCC(N4CCCC4)CC3)C2)cc1 ZINC001172547539 1051457225 /nfs/dbraw/zinc/45/72/25/1051457225.db2.gz VMUNGTCDTONIHC-CTNGQTDRSA-N 1 3 312.501 4.273 20 0 DIADHO CCCC[NH+]1CCC(N(C)[C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172723492 1051483863 /nfs/dbraw/zinc/48/38/63/1051483863.db2.gz SYXBPPZWNJMJBB-IBGZPJMESA-N 1 3 320.908 4.004 20 0 DIADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Oc3ccccc3)cc1)C2 ZINC001169092759 1051509929 /nfs/dbraw/zinc/50/99/29/1051509929.db2.gz CNAXJSLMDFDKTL-LDLYASANSA-N 1 3 322.452 4.194 20 0 DIADHO CC[NH+](CC)C1CCN([C@H](Cc2ccccc2)CC(C)C)CC1 ZINC001169077193 1051510904 /nfs/dbraw/zinc/51/09/04/1051510904.db2.gz BMQGCTLMRXRQNF-NRFANRHFSA-N 1 3 316.533 4.450 20 0 DIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCc1ccccc1-c1ccc(F)cc1)C2 ZINC001169092236 1051519541 /nfs/dbraw/zinc/51/95/41/1051519541.db2.gz ANZIKCCKEGIZHN-ACDBMABISA-N 1 3 324.443 4.208 20 0 DIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCc1ccccc1-c1ccc(F)cc1)C2 ZINC001169092236 1051519553 /nfs/dbraw/zinc/51/95/53/1051519553.db2.gz ANZIKCCKEGIZHN-ACDBMABISA-N 1 3 324.443 4.208 20 0 DIADHO CN(C(c1ccccc1)c1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125838 1051521931 /nfs/dbraw/zinc/52/19/31/1051521931.db2.gz MKDSXQLSFIGGMZ-WKCHPHFGSA-N 1 3 320.480 4.333 20 0 DIADHO CN(C(c1ccccc1)c1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125838 1051521943 /nfs/dbraw/zinc/52/19/43/1051521943.db2.gz MKDSXQLSFIGGMZ-WKCHPHFGSA-N 1 3 320.480 4.333 20 0 DIADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+](C)Cc1ccc(Cl)c(Cl)c1)C2 ZINC001169129597 1051525680 /nfs/dbraw/zinc/52/56/80/1051525680.db2.gz JZIQLOJVLVCQDA-WDNDVIMCSA-N 1 3 313.272 4.050 20 0 DIADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C)Cc1ccc(Cl)c(Cl)c1)C2 ZINC001169129597 1051525689 /nfs/dbraw/zinc/52/56/89/1051525689.db2.gz JZIQLOJVLVCQDA-WDNDVIMCSA-N 1 3 313.272 4.050 20 0 DIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC1(c3cccc(F)c3)CCCCC1)C2 ZINC001169106981 1051528648 /nfs/dbraw/zinc/52/86/48/1051528648.db2.gz CABXDNKTPJTQRF-LDLYASANSA-N 1 3 316.464 4.200 20 0 DIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC1(c3cccc(F)c3)CCCCC1)C2 ZINC001169106981 1051528660 /nfs/dbraw/zinc/52/86/60/1051528660.db2.gz CABXDNKTPJTQRF-LDLYASANSA-N 1 3 316.464 4.200 20 0 DIADHO Cc1cc2cc(N[C@@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)ccc2cn1 ZINC001169147574 1051535833 /nfs/dbraw/zinc/53/58/33/1051535833.db2.gz RUAUTPSKKQKZPT-QUCCMNQESA-N 1 3 311.473 4.499 20 0 DIADHO CC[NH+]1CCC(N(C)C(c2ccccc2)c2ccccc2)CC1 ZINC001169244158 1051561570 /nfs/dbraw/zinc/56/15/70/1051561570.db2.gz DRZARKKHMHTXAJ-UHFFFAOYSA-N 1 3 308.469 4.192 20 0 DIADHO CC[NH+]1CCC(N[C@H](CC2CCC2)c2ccc(F)cc2)CC1 ZINC001169241003 1051563044 /nfs/dbraw/zinc/56/30/44/1051563044.db2.gz ORFOWEOGQIZPFW-LJQANCHMSA-N 1 3 304.453 4.131 20 0 DIADHO C[C@H](Cc1cccc(F)c1)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001168456909 1051591833 /nfs/dbraw/zinc/59/18/33/1051591833.db2.gz ZIFDGJQIWYXCKE-UZLBHIALSA-N 1 3 314.448 4.039 20 0 DIADHO CC[NH+](CC)C1CCC(N(C)Cc2cccc(F)c2F)CC1 ZINC001173113890 1051611817 /nfs/dbraw/zinc/61/18/17/1051611817.db2.gz NXYFTFTVWUURBV-UHFFFAOYSA-N 1 3 310.432 4.050 20 0 DIADHO C1CC[NH+](C2CCN(C3CCC4(CCCCC4)CC3)CC2)C1 ZINC001173116892 1051613488 /nfs/dbraw/zinc/61/34/88/1051613488.db2.gz DMFSVZXSPLQURW-UHFFFAOYSA-N 1 3 304.522 4.440 20 0 DIADHO C1CCN(C2CC[NH+](C3CCC4(CCCCC4)CC3)CC2)C1 ZINC001173116892 1051613491 /nfs/dbraw/zinc/61/34/91/1051613491.db2.gz DMFSVZXSPLQURW-UHFFFAOYSA-N 1 3 304.522 4.440 20 0 DIADHO CCN(CC)C[C@@H]1CC[N@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000185517911 1051770438 /nfs/dbraw/zinc/77/04/38/1051770438.db2.gz YWMJXNUGQWJBNU-PCKAHOCUSA-N 1 3 320.443 4.019 20 0 DIADHO CCN(CC)C[C@@H]1CC[N@@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000185517911 1051770452 /nfs/dbraw/zinc/77/04/52/1051770452.db2.gz YWMJXNUGQWJBNU-PCKAHOCUSA-N 1 3 320.443 4.019 20 0 DIADHO c1ccc(-c2ccccc2CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000769473510 1052066788 /nfs/dbraw/zinc/06/67/88/1052066788.db2.gz OQLIPRXEAPIZGQ-IBGZPJMESA-N 1 3 320.480 4.271 20 0 DIADHO CC(C)(C)c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)s1 ZINC000769927140 1052131868 /nfs/dbraw/zinc/13/18/68/1052131868.db2.gz SPVCZWUYZXPUFV-UHFFFAOYSA-N 1 3 306.519 4.010 20 0 DIADHO CCSc1ccc([C@@H](C)[NH2+]CCCN2CCCCC2)cc1 ZINC001168476495 1052205674 /nfs/dbraw/zinc/20/56/74/1052205674.db2.gz VMBKVNZFYDQLEF-MRXNPFEDSA-N 1 3 306.519 4.325 20 0 DIADHO Cc1ccc([C@@H](C)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000237409000 1052440638 /nfs/dbraw/zinc/44/06/38/1052440638.db2.gz RYMNUSNPZLTGIO-LJQANCHMSA-N 1 3 322.496 4.353 20 0 DIADHO Cc1ccc(-c2cccc(CNC3CC[NH+](C4CC4)CC3)c2)cc1 ZINC000237732039 1052444034 /nfs/dbraw/zinc/44/40/34/1052444034.db2.gz FOHDCARYFWUCFU-UHFFFAOYSA-N 1 3 320.480 4.378 20 0 DIADHO Clc1ccc(CN2CCCC3(CCCC[NH2+]C3)CCC2)o1 ZINC001222120088 1052446545 /nfs/dbraw/zinc/44/65/45/1052446545.db2.gz QZWNXXIKSHSUQX-UHFFFAOYSA-N 1 3 310.869 4.069 20 0 DIADHO Fc1ccc(-c2ccccc2CN2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001222149027 1052450492 /nfs/dbraw/zinc/45/04/92/1052450492.db2.gz VENHXSCXRYXQGJ-NRFANRHFSA-N 1 3 324.443 4.068 20 0 DIADHO c1ccc(C2(CN3CCC4(CCCC[NH2+]4)CC3)CCCC2)cc1 ZINC001222288319 1052473968 /nfs/dbraw/zinc/47/39/68/1052473968.db2.gz XAFFUXHYIJDLQZ-UHFFFAOYSA-N 1 3 312.501 4.107 20 0 DIADHO C[C@H](Cc1cccc(F)c1)[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001168498577 1052475359 /nfs/dbraw/zinc/47/53/59/1052475359.db2.gz URCAVKRXBBBFAU-UXPWSPDFSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001168498577 1052475362 /nfs/dbraw/zinc/47/53/62/1052475362.db2.gz URCAVKRXBBBFAU-UXPWSPDFSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@H](Cc1cccc(F)c1)N1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001168498577 1052475364 /nfs/dbraw/zinc/47/53/64/1052475364.db2.gz URCAVKRXBBBFAU-UXPWSPDFSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@H](Cc1cccc(F)c1)N1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001168498577 1052475367 /nfs/dbraw/zinc/47/53/67/1052475367.db2.gz URCAVKRXBBBFAU-UXPWSPDFSA-N 1 3 318.480 4.096 20 0 DIADHO Cc1cc(Cl)cc(C)c1CN1CCC[C@@]12CCC[NH2+]CC2 ZINC001222320732 1052481838 /nfs/dbraw/zinc/48/18/38/1052481838.db2.gz LZBOFLMJQCBQBD-GOSISDBHSA-N 1 3 306.881 4.065 20 0 DIADHO c1ccc([C@@H]2C[N@@H+](CCCC3CCCCC3)CC23CNC3)cc1 ZINC001222595851 1052515423 /nfs/dbraw/zinc/51/54/23/1052515423.db2.gz KMBHNAASPBZRJS-FQEVSTJZSA-N 1 3 312.501 4.036 20 0 DIADHO c1ccc([C@@H]2C[N@H+](CCCC3CCCCC3)CC23CNC3)cc1 ZINC001222595851 1052515429 /nfs/dbraw/zinc/51/54/29/1052515429.db2.gz KMBHNAASPBZRJS-FQEVSTJZSA-N 1 3 312.501 4.036 20 0 DIADHO c1ccc([C@@H]2CN(CCCC3CCCCC3)CC23C[NH2+]C3)cc1 ZINC001222595851 1052515437 /nfs/dbraw/zinc/51/54/37/1052515437.db2.gz KMBHNAASPBZRJS-FQEVSTJZSA-N 1 3 312.501 4.036 20 0 DIADHO Cc1cccc(C)c1-c1cccc(CN2CC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001222620448 1052518766 /nfs/dbraw/zinc/51/87/66/1052518766.db2.gz SOYRPNAYGKGNHS-LEWJYISDSA-N 1 3 320.480 4.154 20 0 DIADHO Cc1cccc(C)c1-c1cccc(C[N@@H+]2CC[C@H]3CNCC[C@H]32)c1 ZINC001222620448 1052518773 /nfs/dbraw/zinc/51/87/73/1052518773.db2.gz SOYRPNAYGKGNHS-LEWJYISDSA-N 1 3 320.480 4.154 20 0 DIADHO Cc1cccc(C)c1-c1cccc(C[N@H+]2CC[C@H]3CNCC[C@H]32)c1 ZINC001222620448 1052518777 /nfs/dbraw/zinc/51/87/77/1052518777.db2.gz SOYRPNAYGKGNHS-LEWJYISDSA-N 1 3 320.480 4.154 20 0 DIADHO c1ccc(-c2ccccc2CNC2CC[NH+](CC3CC3)CC2)cc1 ZINC000917395225 1052723838 /nfs/dbraw/zinc/72/38/38/1052723838.db2.gz GSZTVXSLXMSGJI-UHFFFAOYSA-N 1 3 320.480 4.318 20 0 DIADHO CS[C@@H]1CCC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000129251238 1052781593 /nfs/dbraw/zinc/78/15/93/1052781593.db2.gz ULEQHUXWYLBKMG-FUHWJXTLSA-N 1 3 310.551 4.047 20 0 DIADHO c1ccc(CCC2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000919880660 1052898838 /nfs/dbraw/zinc/89/88/38/1052898838.db2.gz LFGXEAZJCYSNRT-UHFFFAOYSA-N 1 3 314.517 4.207 20 0 DIADHO CCC[N@@H+]1CC[C@H](CNCc2ccccc2-c2ccccc2)C1 ZINC000920181434 1052925600 /nfs/dbraw/zinc/92/56/00/1052925600.db2.gz ZFRPPNTWOKJPJG-GOSISDBHSA-N 1 3 308.469 4.175 20 0 DIADHO CCC[N@H+]1CC[C@H](CNCc2ccccc2-c2ccccc2)C1 ZINC000920181434 1052925601 /nfs/dbraw/zinc/92/56/01/1052925601.db2.gz ZFRPPNTWOKJPJG-GOSISDBHSA-N 1 3 308.469 4.175 20 0 DIADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2cc(Cl)cc(Cl)c2)C1 ZINC001319199011 1053226875 /nfs/dbraw/zinc/22/68/75/1053226875.db2.gz LSXLBOYEXKSXIR-CHWSQXEVSA-N 1 3 315.288 4.376 20 0 DIADHO CCN1CCC[C@H](C[NH2+][C@@H](c2ccc(C)o2)C2CCCC2)C1 ZINC001319935723 1053287171 /nfs/dbraw/zinc/28/71/71/1053287171.db2.gz XBAIRLYDMIBYGI-VQIMIIECSA-N 1 3 304.478 4.141 20 0 DIADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2cc3cc(Cl)ccc3o2)C1 ZINC001323472775 1053582317 /nfs/dbraw/zinc/58/23/17/1053582317.db2.gz PIUKASJHJYUCAU-ZIAGYGMSSA-N 1 3 320.864 4.469 20 0 DIADHO C[C@H](CSC(C)(C)C)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183196113 1053601718 /nfs/dbraw/zinc/60/17/18/1053601718.db2.gz ZUZYJKPMQYYOEH-BZUAXINKSA-N 1 3 312.567 4.149 20 0 DIADHO CCN1CCC[C@H](C[NH2+]C2c3ccccc3-c3ccccc32)C1 ZINC001325038761 1053698085 /nfs/dbraw/zinc/69/80/85/1053698085.db2.gz NFDNWAFJFLQFIS-MRXNPFEDSA-N 1 3 306.453 4.078 20 0 DIADHO CN(Cc1ccc(/C=C/c2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC001231485842 1053765572 /nfs/dbraw/zinc/76/55/72/1053765572.db2.gz IQABFLKLWFOARN-CMDGGOBGSA-N 1 3 320.480 4.383 20 0 DIADHO Clc1ccc([C@@H]2CC[N@H+](Cc3cc4cnccc4[nH]3)C2)cc1 ZINC001232016204 1053942324 /nfs/dbraw/zinc/94/23/24/1053942324.db2.gz URTIKUXDPBPFMC-CQSZACIVSA-N 1 3 311.816 4.206 20 0 DIADHO Clc1ccc([C@@H]2CC[N@@H+](Cc3cc4cnccc4[nH]3)C2)cc1 ZINC001232016204 1053942338 /nfs/dbraw/zinc/94/23/38/1053942338.db2.gz URTIKUXDPBPFMC-CQSZACIVSA-N 1 3 311.816 4.206 20 0 DIADHO C[NH+](C)Cc1cc(F)cc(CN2CCC[C@H]2c2cccs2)c1 ZINC001232145856 1053972299 /nfs/dbraw/zinc/97/22/99/1053972299.db2.gz CHEJQFUFRMPIEH-KRWDZBQOSA-N 1 3 318.461 4.286 20 0 DIADHO CC(C)[N@H+](Cc1ccccc1)Cc1cc(F)cc(CN(C)C)c1 ZINC001232144058 1053972897 /nfs/dbraw/zinc/97/28/97/1053972897.db2.gz JSTVBCPGFKUWPB-UHFFFAOYSA-N 1 3 314.448 4.298 20 0 DIADHO CC(C)[N@@H+](Cc1ccccc1)Cc1cc(F)cc(CN(C)C)c1 ZINC001232144058 1053972908 /nfs/dbraw/zinc/97/29/08/1053972908.db2.gz JSTVBCPGFKUWPB-UHFFFAOYSA-N 1 3 314.448 4.298 20 0 DIADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)c1cccnc1 ZINC000290287203 1054046932 /nfs/dbraw/zinc/04/69/32/1054046932.db2.gz XRCQPCCQJWGXCP-QUCCMNQESA-N 1 3 323.484 4.035 20 0 DIADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC001333420927 1054153316 /nfs/dbraw/zinc/15/33/16/1054153316.db2.gz HJQMWGFWXUXQKH-STQMWFEESA-N 1 3 315.288 4.376 20 0 DIADHO c1ccc2c(c1)sc1ccc(CN3CC4(C3)CC[NH2+]CC4)cc12 ZINC001235092980 1054654788 /nfs/dbraw/zinc/65/47/88/1054654788.db2.gz MUNQYYICFPLDHY-UHFFFAOYSA-N 1 3 322.477 4.240 20 0 DIADHO c1ccc(-c2ccc(C[N@@H+]3CCCC34CCNCC4)cc2)cc1 ZINC001235139798 1054664015 /nfs/dbraw/zinc/66/40/15/1054664015.db2.gz DIPWGABZSMCZPJ-UHFFFAOYSA-N 1 3 306.453 4.072 20 0 DIADHO c1ccc(-c2ccc(C[N@H+]3CCCC34CCNCC4)cc2)cc1 ZINC001235139798 1054664018 /nfs/dbraw/zinc/66/40/18/1054664018.db2.gz DIPWGABZSMCZPJ-UHFFFAOYSA-N 1 3 306.453 4.072 20 0 DIADHO c1ccc(C(C[N@@H+]2CCCC23CCNCC3)c2ccccc2)cc1 ZINC001235140778 1054665272 /nfs/dbraw/zinc/66/52/72/1054665272.db2.gz NLFIQVFRVBJIAL-UHFFFAOYSA-N 1 3 320.480 4.037 20 0 DIADHO c1ccc(C(C[N@H+]2CCCC23CCNCC3)c2ccccc2)cc1 ZINC001235140778 1054665276 /nfs/dbraw/zinc/66/52/76/1054665276.db2.gz NLFIQVFRVBJIAL-UHFFFAOYSA-N 1 3 320.480 4.037 20 0 DIADHO c1cc2c(cccc2C[N@@H+]2CCCCC23CCNCC3)s1 ZINC001235192042 1054680493 /nfs/dbraw/zinc/68/04/93/1054680493.db2.gz VNVZVQFUZFXPLO-UHFFFAOYSA-N 1 3 300.471 4.009 20 0 DIADHO c1cc2c(cccc2C[N@H+]2CCCCC23CCNCC3)s1 ZINC001235192042 1054680504 /nfs/dbraw/zinc/68/05/04/1054680504.db2.gz VNVZVQFUZFXPLO-UHFFFAOYSA-N 1 3 300.471 4.009 20 0 DIADHO c1cc2c(cccc2CN2CCCCC23CC[NH2+]CC3)s1 ZINC001235192042 1054680512 /nfs/dbraw/zinc/68/05/12/1054680512.db2.gz VNVZVQFUZFXPLO-UHFFFAOYSA-N 1 3 300.471 4.009 20 0 DIADHO Cc1cc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)ccc1Cl ZINC001235231510 1054686939 /nfs/dbraw/zinc/68/69/39/1054686939.db2.gz ZHRHXGDXVOZKRX-SFHVURJKSA-N 1 3 306.881 4.003 20 0 DIADHO Cc1ccc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)cc1Cl ZINC001235238677 1054689173 /nfs/dbraw/zinc/68/91/73/1054689173.db2.gz GPDNQFZMXUCFKN-GOSISDBHSA-N 1 3 306.881 4.003 20 0 DIADHO Cc1ccc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1Cl ZINC001235238678 1054690163 /nfs/dbraw/zinc/69/01/63/1054690163.db2.gz GPDNQFZMXUCFKN-SFHVURJKSA-N 1 3 306.881 4.003 20 0 DIADHO C[N@H+](Cc1ccccc1-c1ccc(Cl)cc1)C1CCNCC1 ZINC001235465928 1054729173 /nfs/dbraw/zinc/72/91/73/1054729173.db2.gz KYFFBYFVWFSYQA-UHFFFAOYSA-N 1 3 314.860 4.191 20 0 DIADHO C[N@@H+](Cc1ccccc1-c1ccc(Cl)cc1)C1CCNCC1 ZINC001235465928 1054729190 /nfs/dbraw/zinc/72/91/90/1054729190.db2.gz KYFFBYFVWFSYQA-UHFFFAOYSA-N 1 3 314.860 4.191 20 0 DIADHO CN(Cc1ccccc1-c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001235465928 1054729207 /nfs/dbraw/zinc/72/92/07/1054729207.db2.gz KYFFBYFVWFSYQA-UHFFFAOYSA-N 1 3 314.860 4.191 20 0 DIADHO [NH3+]C[C@H]1CCCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC001235674469 1054769028 /nfs/dbraw/zinc/76/90/28/1054769028.db2.gz GHKRHFJMLLCBGP-MRXNPFEDSA-N 1 3 314.860 4.178 20 0 DIADHO [NH3+]Cc1ccc(CN2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC001235674787 1054769209 /nfs/dbraw/zinc/76/92/09/1054769209.db2.gz OYVAHUCAMRNOTA-SFHVURJKSA-N 1 3 300.833 4.136 20 0 DIADHO C/C(=C\c1ccccc1)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000180784381 1054778717 /nfs/dbraw/zinc/77/87/17/1054778717.db2.gz ORGHDKXWYYXBHH-JLAJQXPRSA-N 1 3 310.485 4.039 20 0 DIADHO C/C(=C\c1ccccc1)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000180784381 1054778728 /nfs/dbraw/zinc/77/87/28/1054778728.db2.gz ORGHDKXWYYXBHH-JLAJQXPRSA-N 1 3 310.485 4.039 20 0 DIADHO [NH3+]Cc1ccc(CN2CCC[C@@H]2c2ccccc2Cl)cc1 ZINC001235695044 1054782057 /nfs/dbraw/zinc/78/20/57/1054782057.db2.gz YEXGMLOROFDFAR-GOSISDBHSA-N 1 3 300.833 4.136 20 0 DIADHO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(/C=C/c2ccccc2)cc1 ZINC001235778568 1054803443 /nfs/dbraw/zinc/80/34/43/1054803443.db2.gz OYFXMCRVEGDNQC-LIHCMJDASA-N 1 3 318.464 4.311 20 0 DIADHO CCCCCCc1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)s1 ZINC001235808735 1054811761 /nfs/dbraw/zinc/81/17/61/1054811761.db2.gz FVJKASNRIFGSCS-MUJYYYPQSA-N 1 3 306.519 4.325 20 0 DIADHO CN(Cc1ccccc1-c1ccccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001235843137 1054821635 /nfs/dbraw/zinc/82/16/35/1054821635.db2.gz WHIYVHSFIISUGG-OAHLLOKOSA-N 1 3 314.860 4.048 20 0 DIADHO Cc1cccc(C)c1-c1cccc(CN2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235943874 1054861684 /nfs/dbraw/zinc/86/16/84/1054861684.db2.gz ZONFUKXHMXWKDH-RTWAWAEBSA-N 1 3 320.480 4.012 20 0 DIADHO CC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(Cl)s1 ZINC000624121466 1054885922 /nfs/dbraw/zinc/88/59/22/1054885922.db2.gz XFDVFHVHFNLPBZ-STQMWFEESA-N 1 3 300.899 4.174 20 0 DIADHO CN(CC[C@H]1CCC[NH2+]C1)Cc1sc2ccccc2c1Cl ZINC001235948343 1054864039 /nfs/dbraw/zinc/86/40/39/1054864039.db2.gz MDRUEXOJXVMOKI-CYBMUJFWSA-N 1 3 322.905 4.376 20 0 DIADHO C[C@H](c1ccc(Cl)cc1)N(C)Cc1cc2c(s1)C[NH2+]CC2 ZINC001235952543 1054866060 /nfs/dbraw/zinc/86/60/60/1054866060.db2.gz ZFOOVDLENBZNHH-GFCCVEGCSA-N 1 3 320.889 4.240 20 0 DIADHO Cc1cccc(C)c1-c1cccc(CN2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC001235960294 1054872301 /nfs/dbraw/zinc/87/23/01/1054872301.db2.gz TTWXZTHTFGRFDK-VTYHHJSWSA-N 1 3 320.480 4.140 20 0 DIADHO CCN(Cc1cc2c(s1)CC[NH2+]C2)Cc1ccc(Cl)cc1 ZINC001235963071 1054875463 /nfs/dbraw/zinc/87/54/63/1054875463.db2.gz TXSSHPVKWXUFGD-UHFFFAOYSA-N 1 3 320.889 4.069 20 0 DIADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(-c2ccncc2)c1 ZINC000624121153 1054885025 /nfs/dbraw/zinc/88/50/25/1054885025.db2.gz PGUNOGZCHHVZFK-QZTJIDSGSA-N 1 3 323.484 4.131 20 0 DIADHO CCCCCCc1csc(CN2CC3(C2)CCC[NH2+]CC3)c1 ZINC001236005584 1054891746 /nfs/dbraw/zinc/89/17/46/1054891746.db2.gz JBKWSQUZUCJWDY-UHFFFAOYSA-N 1 3 320.546 4.446 20 0 DIADHO C[C@@H]([NH3+])c1cccc(-c2cccc(CN3CCCCC3)c2F)c1 ZINC001236014869 1054897111 /nfs/dbraw/zinc/89/71/11/1054897111.db2.gz IVDFOLIQGLOALX-OAHLLOKOSA-N 1 3 312.432 4.498 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc3cc(Cl)ccc3o2)C1 ZINC000181527449 1054919616 /nfs/dbraw/zinc/91/96/16/1054919616.db2.gz UUSQQUDIARSCOU-STQMWFEESA-N 1 3 306.837 4.079 20 0 DIADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)Cc1ccccc1 ZINC000182078533 1054958075 /nfs/dbraw/zinc/95/80/75/1054958075.db2.gz SOAFFUZRXIYMSS-CMKODMSKSA-N 1 3 314.517 4.108 20 0 DIADHO [NH3+]Cc1cccc(CN2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC001236152542 1054970347 /nfs/dbraw/zinc/97/03/47/1054970347.db2.gz RVJNMFFUZCUUBE-SFHVURJKSA-N 1 3 300.833 4.136 20 0 DIADHO CCCN(Cc1ccc(-c2ccc(C)o2)cc1)C1CC[NH2+]CC1 ZINC001236181685 1054980453 /nfs/dbraw/zinc/98/04/53/1054980453.db2.gz ANZRKTIDOSDZHB-UHFFFAOYSA-N 1 3 312.457 4.219 20 0 DIADHO CCC[N@H+](Cc1ccc(-c2ccc(C)o2)cc1)C1CCNCC1 ZINC001236181685 1054980467 /nfs/dbraw/zinc/98/04/67/1054980467.db2.gz ANZRKTIDOSDZHB-UHFFFAOYSA-N 1 3 312.457 4.219 20 0 DIADHO CCC[N@@H+](Cc1ccc(-c2ccc(C)o2)cc1)C1CCNCC1 ZINC001236181685 1054980476 /nfs/dbraw/zinc/98/04/76/1054980476.db2.gz ANZRKTIDOSDZHB-UHFFFAOYSA-N 1 3 312.457 4.219 20 0 DIADHO CCC[N@H+](Cc1sc2ccccc2c1C)C1CCNCC1 ZINC001236183183 1054981797 /nfs/dbraw/zinc/98/17/97/1054981797.db2.gz WZNFUZZJQFIHPG-UHFFFAOYSA-N 1 3 302.487 4.174 20 0 DIADHO CCC[N@@H+](Cc1sc2ccccc2c1C)C1CCNCC1 ZINC001236183183 1054981809 /nfs/dbraw/zinc/98/18/09/1054981809.db2.gz WZNFUZZJQFIHPG-UHFFFAOYSA-N 1 3 302.487 4.174 20 0 DIADHO C[NH2+]C1CCC(N(C)Cc2ccc(C)c(Cl)c2Cl)CC1 ZINC001236214913 1055001027 /nfs/dbraw/zinc/00/10/27/1055001027.db2.gz KWCHGDCAPVWYGE-UHFFFAOYSA-N 1 3 315.288 4.264 20 0 DIADHO C[NH2+]C1CCC(N(C)Cc2c(Cl)cccc2SC)CC1 ZINC001236216030 1055004758 /nfs/dbraw/zinc/00/47/58/1055004758.db2.gz VWZZNCZOHDDQQN-UHFFFAOYSA-N 1 3 312.910 4.024 20 0 DIADHO C[N@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)[C@@H]1CCCC[C@H]1N ZINC001236219109 1055008474 /nfs/dbraw/zinc/00/84/74/1055008474.db2.gz ULTHBRUYULGZTL-SJLPKXTDSA-N 1 3 313.489 4.167 20 0 DIADHO C[N@@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)[C@@H]1CCCC[C@H]1N ZINC001236219109 1055008489 /nfs/dbraw/zinc/00/84/89/1055008489.db2.gz ULTHBRUYULGZTL-SJLPKXTDSA-N 1 3 313.489 4.167 20 0 DIADHO CN(Cc1ccc(C(F)(F)F)cc1Cl)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223327 1055014813 /nfs/dbraw/zinc/01/48/13/1055014813.db2.gz MRSSMRRXSVSHSH-JOCQHMNTSA-N 1 3 320.786 4.061 20 0 DIADHO Fc1cc(-c2ccc3c(c2)C[NH2+]CC3)ccc1CN1CCCCC1 ZINC001236248917 1055030559 /nfs/dbraw/zinc/03/05/59/1055030559.db2.gz LJYHCVBVQMXFAQ-UHFFFAOYSA-N 1 3 324.443 4.124 20 0 DIADHO C[C@@H]([NH3+])c1cccc(-c2ccc(CN3CCCCC3)c(F)c2)c1 ZINC001236251072 1055035498 /nfs/dbraw/zinc/03/54/98/1055035498.db2.gz LTEUIPUGCHBCSP-OAHLLOKOSA-N 1 3 312.432 4.498 20 0 DIADHO Cc1ccc([C@H](C)CC[N@H+](C[C@@H]2CCCNC2)C2CCCC2)o1 ZINC001236371233 1055076930 /nfs/dbraw/zinc/07/69/30/1055076930.db2.gz IICZYVFYJONOGK-SJLPKXTDSA-N 1 3 318.505 4.326 20 0 DIADHO Cc1ccc([C@H](C)CC[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)o1 ZINC001236371233 1055076939 /nfs/dbraw/zinc/07/69/39/1055076939.db2.gz IICZYVFYJONOGK-SJLPKXTDSA-N 1 3 318.505 4.326 20 0 DIADHO Clc1ccc(CC[N@H+](C[C@H]2CCCNC2)C2CCCC2)cc1 ZINC001236370456 1055077061 /nfs/dbraw/zinc/07/70/61/1055077061.db2.gz FYMJEXYWXBMSHP-KRWDZBQOSA-N 1 3 320.908 4.127 20 0 DIADHO Clc1ccc(CC[N@@H+](C[C@H]2CCCNC2)C2CCCC2)cc1 ZINC001236370456 1055077074 /nfs/dbraw/zinc/07/70/74/1055077074.db2.gz FYMJEXYWXBMSHP-KRWDZBQOSA-N 1 3 320.908 4.127 20 0 DIADHO CC1=C[C@H](C)[C@@H](C[N@H+](C[C@H]2CCCNC2)C2CCCC2)CC1 ZINC001236372589 1055079251 /nfs/dbraw/zinc/07/92/51/1055079251.db2.gz QPURLUCQEAZENY-GBESFXJTSA-N 1 3 304.522 4.223 20 0 DIADHO CC1=C[C@H](C)[C@@H](C[N@@H+](C[C@H]2CCCNC2)C2CCCC2)CC1 ZINC001236372589 1055079262 /nfs/dbraw/zinc/07/92/62/1055079262.db2.gz QPURLUCQEAZENY-GBESFXJTSA-N 1 3 304.522 4.223 20 0 DIADHO Cc1cc(C)cc(C[N@H+](C[C@H]2CCCNC2)C2CCCC2)c1 ZINC001236374124 1055080015 /nfs/dbraw/zinc/08/00/15/1055080015.db2.gz PDZNHOLGPMLFCU-SFHVURJKSA-N 1 3 300.490 4.048 20 0 DIADHO Cc1cc(C)cc(C[N@@H+](C[C@H]2CCCNC2)C2CCCC2)c1 ZINC001236374124 1055080029 /nfs/dbraw/zinc/08/00/29/1055080029.db2.gz PDZNHOLGPMLFCU-SFHVURJKSA-N 1 3 300.490 4.048 20 0 DIADHO Cc1c(F)cc(F)cc1CN(C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236376970 1055081538 /nfs/dbraw/zinc/08/15/38/1055081538.db2.gz WYWJHLLQRGFYRW-OAHLLOKOSA-N 1 3 322.443 4.017 20 0 DIADHO Clc1csc(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236374593 1055083435 /nfs/dbraw/zinc/08/34/35/1055083435.db2.gz FNBMOORFAVGGEO-CYBMUJFWSA-N 1 3 312.910 4.146 20 0 DIADHO CC(C)CSCCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185672823 1055095207 /nfs/dbraw/zinc/09/52/07/1055095207.db2.gz AZDJCKJOBYUJRC-SJORKVTESA-N 1 3 312.567 4.008 20 0 DIADHO CC(C)CSCCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185672787 1055095657 /nfs/dbraw/zinc/09/56/57/1055095657.db2.gz AZDJCKJOBYUJRC-IAGOWNOFSA-N 1 3 312.567 4.008 20 0 DIADHO C[C@H]([NH2+]CCCc1cccc(F)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185755438 1055096777 /nfs/dbraw/zinc/09/67/77/1055096777.db2.gz PXVHMGZPXPNHIT-FUHWJXTLSA-N 1 3 318.480 4.001 20 0 DIADHO CCN(Cc1cccc2c3ccccc3sc21)C[C@@H]1CC[NH2+]C1 ZINC001236407428 1055099512 /nfs/dbraw/zinc/09/95/12/1055099512.db2.gz FHXJLRXFUDZXIE-OAHLLOKOSA-N 1 3 324.493 4.486 20 0 DIADHO CCN(Cc1cccc2c3ccccc3oc21)C[C@@H]1CC[NH2+]C1 ZINC001236410343 1055102460 /nfs/dbraw/zinc/10/24/60/1055102460.db2.gz YZANKUCFWMJAIO-OAHLLOKOSA-N 1 3 308.425 4.017 20 0 DIADHO C[C@H]1[C@@H](N)CCC[N@@H+]1Cc1cccc2c3ccccc3sc21 ZINC001236420837 1055105471 /nfs/dbraw/zinc/10/54/71/1055105471.db2.gz ONNSMMPYTFVNNG-GUYCJALGSA-N 1 3 310.466 4.366 20 0 DIADHO C[C@H]1[C@@H](N)CCC[N@H+]1Cc1cccc2c3ccccc3sc21 ZINC001236420837 1055105477 /nfs/dbraw/zinc/10/54/77/1055105477.db2.gz ONNSMMPYTFVNNG-GUYCJALGSA-N 1 3 310.466 4.366 20 0 DIADHO C[C@H]1[C@H](N)CCC[N@@H+]1Cc1cccc2c3ccccc3sc21 ZINC001236420838 1055105651 /nfs/dbraw/zinc/10/56/51/1055105651.db2.gz ONNSMMPYTFVNNG-SUMWQHHRSA-N 1 3 310.466 4.366 20 0 DIADHO C[C@H]1[C@H](N)CCC[N@H+]1Cc1cccc2c3ccccc3sc21 ZINC001236420838 1055105655 /nfs/dbraw/zinc/10/56/55/1055105655.db2.gz ONNSMMPYTFVNNG-SUMWQHHRSA-N 1 3 310.466 4.366 20 0 DIADHO CC(C)(C)C[N@H+](Cc1ccccc1C1CC1)C1CCNCC1 ZINC001236456673 1055124024 /nfs/dbraw/zinc/12/40/24/1055124024.db2.gz DCURCRYQPWTAHM-UHFFFAOYSA-N 1 3 300.490 4.164 20 0 DIADHO CC(C)(C)C[N@@H+](Cc1ccccc1C1CC1)C1CCNCC1 ZINC001236456673 1055124031 /nfs/dbraw/zinc/12/40/31/1055124031.db2.gz DCURCRYQPWTAHM-UHFFFAOYSA-N 1 3 300.490 4.164 20 0 DIADHO CC/C=C\CCN(Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001236515908 1055156337 /nfs/dbraw/zinc/15/63/37/1055156337.db2.gz CJFLUOFKNIUGKW-PLNGDYQASA-N 1 3 304.453 4.044 20 0 DIADHO CC/C=C\CC[N@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001236515908 1055156348 /nfs/dbraw/zinc/15/63/48/1055156348.db2.gz CJFLUOFKNIUGKW-PLNGDYQASA-N 1 3 304.453 4.044 20 0 DIADHO CC/C=C\CC[N@@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001236515908 1055156355 /nfs/dbraw/zinc/15/63/55/1055156355.db2.gz CJFLUOFKNIUGKW-PLNGDYQASA-N 1 3 304.453 4.044 20 0 DIADHO c1ccc(-c2ccccc2CN(C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001236598209 1055202684 /nfs/dbraw/zinc/20/26/84/1055202684.db2.gz ILBAHRVFEXZJDE-GOSISDBHSA-N 1 3 320.480 4.318 20 0 DIADHO C[C@@]1(C[NH3+])CCN(Cc2ccc(-c3ccccc3Cl)cc2)C1 ZINC001236604851 1055203418 /nfs/dbraw/zinc/20/34/18/1055203418.db2.gz PWSCRPRWHRXCEX-IBGZPJMESA-N 1 3 314.860 4.178 20 0 DIADHO C[C@@]1(CN)CC[N@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001236604313 1055203769 /nfs/dbraw/zinc/20/37/69/1055203769.db2.gz LUTVLDQOXUANOK-IBGZPJMESA-N 1 3 310.466 4.225 20 0 DIADHO C[C@@]1(CN)CC[N@@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001236604313 1055203773 /nfs/dbraw/zinc/20/37/73/1055203773.db2.gz LUTVLDQOXUANOK-IBGZPJMESA-N 1 3 310.466 4.225 20 0 DIADHO C[C@@]1(C[NH3+])CCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC001236616464 1055205920 /nfs/dbraw/zinc/20/59/20/1055205920.db2.gz NRUCAKIPLDEXNL-IBGZPJMESA-N 1 3 314.860 4.178 20 0 DIADHO CC(C)(C)c1ccc(C[N@H+](C2CCC2)C2CCNCC2)cc1 ZINC001236634772 1055208196 /nfs/dbraw/zinc/20/81/96/1055208196.db2.gz XIAFKBCJKZMUNP-UHFFFAOYSA-N 1 3 300.490 4.091 20 0 DIADHO CC(C)(C)c1ccc(C[N@@H+](C2CCC2)C2CCNCC2)cc1 ZINC001236634772 1055208202 /nfs/dbraw/zinc/20/82/02/1055208202.db2.gz XIAFKBCJKZMUNP-UHFFFAOYSA-N 1 3 300.490 4.091 20 0 DIADHO CC(C)(C)c1ccc(CN(C2CCC2)C2CC[NH2+]CC2)cc1 ZINC001236634772 1055208210 /nfs/dbraw/zinc/20/82/10/1055208210.db2.gz XIAFKBCJKZMUNP-UHFFFAOYSA-N 1 3 300.490 4.091 20 0 DIADHO CCC(C)(C)c1ccc(C[N@H+](C2CCC2)C2CCNCC2)cc1 ZINC001236636784 1055208916 /nfs/dbraw/zinc/20/89/16/1055208916.db2.gz IXQBTGULRVIBPR-UHFFFAOYSA-N 1 3 314.517 4.481 20 0 DIADHO CCC(C)(C)c1ccc(C[N@@H+](C2CCC2)C2CCNCC2)cc1 ZINC001236636784 1055208925 /nfs/dbraw/zinc/20/89/25/1055208925.db2.gz IXQBTGULRVIBPR-UHFFFAOYSA-N 1 3 314.517 4.481 20 0 DIADHO CCC(C)(C)c1ccc(CN(C2CCC2)C2CC[NH2+]CC2)cc1 ZINC001236636784 1055208937 /nfs/dbraw/zinc/20/89/37/1055208937.db2.gz IXQBTGULRVIBPR-UHFFFAOYSA-N 1 3 314.517 4.481 20 0 DIADHO c1c2ccccc2sc1C[N@H+](C1CCC1)C1CCNCC1 ZINC001236634038 1055209692 /nfs/dbraw/zinc/20/96/92/1055209692.db2.gz PCENBRIPGGTHMG-UHFFFAOYSA-N 1 3 300.471 4.008 20 0 DIADHO c1c2ccccc2sc1C[N@@H+](C1CCC1)C1CCNCC1 ZINC001236634038 1055209701 /nfs/dbraw/zinc/20/97/01/1055209701.db2.gz PCENBRIPGGTHMG-UHFFFAOYSA-N 1 3 300.471 4.008 20 0 DIADHO c1c2ccccc2sc1CN(C1CCC1)C1CC[NH2+]CC1 ZINC001236634038 1055209708 /nfs/dbraw/zinc/20/97/08/1055209708.db2.gz PCENBRIPGGTHMG-UHFFFAOYSA-N 1 3 300.471 4.008 20 0 DIADHO CCC[C@H](Cc1ccccc1)[N@H+](CCC)C[C@H]1CCCNC1 ZINC001236661306 1055217542 /nfs/dbraw/zinc/21/75/42/1055217542.db2.gz BVQPSAYSCDWCNE-VQTJNVASSA-N 1 3 302.506 4.109 20 0 DIADHO CCC[C@H](Cc1ccccc1)[N@@H+](CCC)C[C@H]1CCCNC1 ZINC001236661306 1055217549 /nfs/dbraw/zinc/21/75/49/1055217549.db2.gz BVQPSAYSCDWCNE-VQTJNVASSA-N 1 3 302.506 4.109 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc2occc21 ZINC001236739715 1055248169 /nfs/dbraw/zinc/24/81/69/1055248169.db2.gz OVJRBOQCVQEJOZ-ROUUACIJSA-N 1 3 312.457 4.272 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc2occc21 ZINC001236739715 1055248175 /nfs/dbraw/zinc/24/81/75/1055248175.db2.gz OVJRBOQCVQEJOZ-ROUUACIJSA-N 1 3 312.457 4.272 20 0 DIADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cccc2occc21 ZINC001236739715 1055248186 /nfs/dbraw/zinc/24/81/86/1055248186.db2.gz OVJRBOQCVQEJOZ-ROUUACIJSA-N 1 3 312.457 4.272 20 0 DIADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cccc2occc21 ZINC001236739715 1055248195 /nfs/dbraw/zinc/24/81/95/1055248195.db2.gz OVJRBOQCVQEJOZ-ROUUACIJSA-N 1 3 312.457 4.272 20 0 DIADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc4sc5ccccc5c4c3)C[C@H]12 ZINC001236827867 1055280183 /nfs/dbraw/zinc/28/01/83/1055280183.db2.gz HCXKJVSXXSUTDG-JCGIZDLHSA-N 1 3 322.477 4.224 20 0 DIADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc4sc5ccccc5c4c3)C[C@H]12 ZINC001236827865 1055280453 /nfs/dbraw/zinc/28/04/53/1055280453.db2.gz HCXKJVSXXSUTDG-FHLIZLRMSA-N 1 3 322.477 4.224 20 0 DIADHO CCCCCCc1csc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC001236826989 1055281842 /nfs/dbraw/zinc/28/18/42/1055281842.db2.gz DNPXZOZCUDGQDQ-JQHSSLGASA-N 1 3 306.519 4.040 20 0 DIADHO CCCN(Cc1ccc(-c2ccccc2)cc1)C[C@H]1CC[NH2+]C1 ZINC001236834298 1055284625 /nfs/dbraw/zinc/28/46/25/1055284625.db2.gz GRXCSSLCIHEPGD-IBGZPJMESA-N 1 3 308.469 4.175 20 0 DIADHO CCCN(Cc1ccc(-c2ccccc2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236834299 1055284991 /nfs/dbraw/zinc/28/49/91/1055284991.db2.gz GRXCSSLCIHEPGD-LJQANCHMSA-N 1 3 308.469 4.175 20 0 DIADHO CSc1ccc(CN2CCC(CC3CC[NH2+]CC3)CC2)s1 ZINC001236961473 1055320070 /nfs/dbraw/zinc/32/00/70/1055320070.db2.gz IDBDDBAGARFOHO-UHFFFAOYSA-N 1 3 324.559 4.072 20 0 DIADHO C[C@@]1(C[NH3+])CCCN(Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001237059203 1055354021 /nfs/dbraw/zinc/35/40/21/1055354021.db2.gz RQMCIHPCMXVEED-FQEVSTJZSA-N 1 3 312.432 4.054 20 0 DIADHO CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@](C)(CN)C1 ZINC001237056036 1055355825 /nfs/dbraw/zinc/35/58/25/1055355825.db2.gz FUAMPSPHNNXKEU-HXUWFJFHSA-N 1 3 313.489 4.026 20 0 DIADHO CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@](C)(CN)C1 ZINC001237056036 1055355838 /nfs/dbraw/zinc/35/58/38/1055355838.db2.gz FUAMPSPHNNXKEU-HXUWFJFHSA-N 1 3 313.489 4.026 20 0 DIADHO Cc1cccc(-c2ccc(CN3CCC[C@](C)(C[NH3+])C3)cc2)c1 ZINC001237080662 1055364874 /nfs/dbraw/zinc/36/48/74/1055364874.db2.gz HNRDMZDAYQLEQR-OAQYLSRUSA-N 1 3 308.469 4.223 20 0 DIADHO c1ccc2c(c1)oc1c2cccc1CN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237390437 1055445422 /nfs/dbraw/zinc/44/54/22/1055445422.db2.gz IEGCZEBKEGUAAD-KXBFYZLASA-N 1 3 320.436 4.160 20 0 DIADHO CN(C)CCC[N@H+](C)Cc1ccc(-c2ccc(F)cc2F)cc1 ZINC001237663666 1055497571 /nfs/dbraw/zinc/49/75/71/1055497571.db2.gz UTEKNWDOUXQISR-UHFFFAOYSA-N 1 3 318.411 4.015 20 0 DIADHO CN(C)CCC[N@@H+](C)Cc1ccc(-c2ccc(F)cc2F)cc1 ZINC001237663666 1055497582 /nfs/dbraw/zinc/49/75/82/1055497582.db2.gz UTEKNWDOUXQISR-UHFFFAOYSA-N 1 3 318.411 4.015 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@@H+]3CC[C@H]4CCC[C@H]4C3)cc21 ZINC001237875565 1055547420 /nfs/dbraw/zinc/54/74/20/1055547420.db2.gz APZDLNBREZTJRG-MJGOQNOKSA-N 1 3 310.485 4.310 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@H+]3CC[C@H]4CCC[C@H]4C3)cc21 ZINC001237875565 1055547430 /nfs/dbraw/zinc/54/74/30/1055547430.db2.gz APZDLNBREZTJRG-MJGOQNOKSA-N 1 3 310.485 4.310 20 0 DIADHO c1ccc(CCN2CC[C@H](C[NH2+]CC3CCCCCC3)C2)cc1 ZINC001620770259 1055938066 /nfs/dbraw/zinc/93/80/66/1055938066.db2.gz HBVLEUJAXAOQKE-OAQYLSRUSA-N 1 3 314.517 4.111 20 0 DIADHO CC(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCN3C)C2)c(C(C)C)c1 ZINC001620506728 1055962041 /nfs/dbraw/zinc/96/20/41/1055962041.db2.gz MPGOIKMXGXJCDL-FPOVZHCZSA-N 1 3 314.517 4.459 20 0 DIADHO CC(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCN3C)C2)c(C(C)C)c1 ZINC001620506728 1055962054 /nfs/dbraw/zinc/96/20/54/1055962054.db2.gz MPGOIKMXGXJCDL-FPOVZHCZSA-N 1 3 314.517 4.459 20 0 DIADHO C[C@@H]1CCC[N@H+](CCCCNCc2ccc(F)cc2Cl)C1 ZINC001620724623 1055987060 /nfs/dbraw/zinc/98/70/60/1055987060.db2.gz FSGFLFGYHPPJOS-CQSZACIVSA-N 1 3 312.860 4.081 20 0 DIADHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccc(F)cc2Cl)C1 ZINC001620724623 1055987067 /nfs/dbraw/zinc/98/70/67/1055987067.db2.gz FSGFLFGYHPPJOS-CQSZACIVSA-N 1 3 312.860 4.081 20 0 DIADHO C[C@@H](CC[NH2+]Cc1ccc(-c2ccccc2Cl)s1)N(C)C ZINC001621021753 1055987389 /nfs/dbraw/zinc/98/73/89/1055987389.db2.gz VYBQOJLAGWEJQK-ZDUSSCGKSA-N 1 3 322.905 4.498 20 0 DIADHO C[N@@H+]1CCC[C@H]1CCN[C@H](CCc1ccccc1)c1ccccc1 ZINC001168605019 1056055905 /nfs/dbraw/zinc/05/59/05/1056055905.db2.gz VDYSAIFLBPJPOA-FCHUYYIVSA-N 1 3 322.496 4.434 20 0 DIADHO C[N@H+]1CCC[C@H]1CCN[C@H](CCc1ccccc1)c1ccccc1 ZINC001168605019 1056055913 /nfs/dbraw/zinc/05/59/13/1056055913.db2.gz VDYSAIFLBPJPOA-FCHUYYIVSA-N 1 3 322.496 4.434 20 0 DIADHO CN1CCC[C@H]1CC[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC001168605019 1056055920 /nfs/dbraw/zinc/05/59/20/1056055920.db2.gz VDYSAIFLBPJPOA-FCHUYYIVSA-N 1 3 322.496 4.434 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)C1CCC(C(F)(F)F)CC1 ZINC000474814179 1056358485 /nfs/dbraw/zinc/35/84/85/1056358485.db2.gz BOLAARKYGKYATL-VLSVSDDBSA-N 1 3 320.443 4.206 20 0 DIADHO CN(C)CC1(C[NH2+][C@@H]2CCSc3c(F)cccc32)CCCC1 ZINC000355052837 1056610645 /nfs/dbraw/zinc/61/06/45/1056610645.db2.gz ABCITJGSZOXFHO-MRXNPFEDSA-N 1 3 322.493 4.074 20 0 DIADHO CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC001618048265 1056919103 /nfs/dbraw/zinc/91/91/03/1056919103.db2.gz KROQCOCRWXVEPE-MSOLQXFVSA-N 1 3 306.881 4.209 20 0 DIADHO CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC001618048265 1056919115 /nfs/dbraw/zinc/91/91/15/1056919115.db2.gz KROQCOCRWXVEPE-MSOLQXFVSA-N 1 3 306.881 4.209 20 0 DIADHO CCN(CC)Cc1ccc(-c2cccc(C[NH2+]C)c2)cc1F ZINC001242999854 1057541210 /nfs/dbraw/zinc/54/12/10/1057541210.db2.gz WGSQVGNKNUFLIR-UHFFFAOYSA-N 1 3 300.421 4.054 20 0 DIADHO C[N@@H+]1CC[C@H](N[C@@H](c2ccc(F)cc2)C2CCC2)CC1(C)C ZINC001649134322 1057553151 /nfs/dbraw/zinc/55/31/51/1057553151.db2.gz WPWSLIPMIMSPIO-ZWKOTPCHSA-N 1 3 304.453 4.129 20 0 DIADHO C[N@H+]1CC[C@H](N[C@@H](c2ccc(F)cc2)C2CCC2)CC1(C)C ZINC001649134322 1057553154 /nfs/dbraw/zinc/55/31/54/1057553154.db2.gz WPWSLIPMIMSPIO-ZWKOTPCHSA-N 1 3 304.453 4.129 20 0 DIADHO C[NH+](C)Cc1ccc(-c2ccccc2CNCc2ccoc2)cc1 ZINC000727466506 1057655130 /nfs/dbraw/zinc/65/51/30/1057655130.db2.gz WVBPPJURERTECC-UHFFFAOYSA-N 1 3 320.436 4.298 20 0 DIADHO C[NH+](C)CCCOc1ccc(-c2cccc(C3=NCCC3)c2)cc1 ZINC001245340320 1058146810 /nfs/dbraw/zinc/14/68/10/1058146810.db2.gz AIWVGUFATMDQKQ-UHFFFAOYSA-N 1 3 322.452 4.267 20 0 DIADHO Cc1cccc2[nH]c(-c3ccccc3CN3CCC([NH3+])CC3)cc21 ZINC001245343130 1058148109 /nfs/dbraw/zinc/14/81/09/1058148109.db2.gz MJTKJJGPENHOKE-UHFFFAOYSA-N 1 3 319.452 4.066 20 0 DIADHO c1ccc(C[C@H]2C[C@H]([NH2+][C@@H]3CCCc4ccccc43)CCN2)cc1 ZINC001246077787 1058668084 /nfs/dbraw/zinc/66/80/84/1058668084.db2.gz KHQOGQMBIWPNBM-RZUBCFFCSA-N 1 3 320.480 4.017 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)N[C@H]1C[NH2+]CC[C@H]1C ZINC001246100884 1058677513 /nfs/dbraw/zinc/67/75/13/1058677513.db2.gz XYBUIWYEHOGWSK-HMFYCAOWSA-N 1 3 322.496 4.185 20 0 DIADHO CC1([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)CCNCC1 ZINC001246121536 1058683134 /nfs/dbraw/zinc/68/31/34/1058683134.db2.gz AOYTVBIZGXZGGK-UHFFFAOYSA-N 1 3 306.881 4.098 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C1(C)CCNCC1 ZINC001246121993 1058686428 /nfs/dbraw/zinc/68/64/28/1058686428.db2.gz DKAFKZGZYXWQHS-GFCCVEGCSA-N 1 3 315.288 4.046 20 0 DIADHO Cc1ccc(Cl)c(CNC2CCC3(CCC[NH2+]C3)CC2)c1F ZINC001246157486 1058701910 /nfs/dbraw/zinc/70/19/10/1058701910.db2.gz BMUUKBKZJPYIEO-UHFFFAOYSA-N 1 3 324.871 4.190 20 0 DIADHO CC[C@H]1C[C@H](NCCc2ccc(Oc3ccccc3)cc2)CC[NH2+]1 ZINC001246158854 1058703380 /nfs/dbraw/zinc/70/33/80/1058703380.db2.gz MOOLISJJJRNMFG-RBUKOAKNSA-N 1 3 324.468 4.142 20 0 DIADHO CC[C@H]1C[C@H]([NH2+]CCc2ccc(Oc3ccccc3)cc2)CCN1 ZINC001246158854 1058703398 /nfs/dbraw/zinc/70/33/98/1058703398.db2.gz MOOLISJJJRNMFG-RBUKOAKNSA-N 1 3 324.468 4.142 20 0 DIADHO CC[C@H]1C[C@H](NCCc2cccc(Oc3ccccc3)c2)CC[NH2+]1 ZINC001246160628 1058705002 /nfs/dbraw/zinc/70/50/02/1058705002.db2.gz UHBDFCOTAHYULH-RBUKOAKNSA-N 1 3 324.468 4.142 20 0 DIADHO c1ccc(-c2ccc(CC[NH2+][C@H]3CCNC4(CCC4)C3)cc2)cc1 ZINC001246162638 1058705985 /nfs/dbraw/zinc/70/59/85/1058705985.db2.gz GXKJUIZXIXUTSI-NRFANRHFSA-N 1 3 320.480 4.160 20 0 DIADHO Fc1ccc(C[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)c(Cl)c1 ZINC001246170794 1058713614 /nfs/dbraw/zinc/71/36/14/1058713614.db2.gz NBMJYQADIHIBEJ-WMZOPIPTSA-N 1 3 318.823 4.062 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccc(F)cc2)CCN1 ZINC001246173567 1058717003 /nfs/dbraw/zinc/71/70/03/1058717003.db2.gz UPBSBDBTDJRIRU-ROUUACIJSA-N 1 3 306.469 4.047 20 0 DIADHO CC[C@@H]1C[C@H](NCCCOc2ccc(Cl)cc2)C[C@H](CC)[NH2+]1 ZINC001246175860 1058720565 /nfs/dbraw/zinc/72/05/65/1058720565.db2.gz GQKIVKNMBRIMFV-FVQHAEBGSA-N 1 3 324.896 4.008 20 0 DIADHO CC[C@H](N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC001246179773 1058722167 /nfs/dbraw/zinc/72/21/67/1058722167.db2.gz RRWXPZVBKIYNPQ-AABGKKOBSA-N 1 3 312.432 4.360 20 0 DIADHO CC[C@@H]1C[C@@H](NCC(C)(c2ccccc2)c2ccccc2)CC[NH2+]1 ZINC001246177605 1058722918 /nfs/dbraw/zinc/72/29/18/1058722918.db2.gz CBYJLZHNYABNQH-RTWAWAEBSA-N 1 3 322.496 4.113 20 0 DIADHO CC[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3)CCCCC2)CCN1 ZINC001246183378 1058726261 /nfs/dbraw/zinc/72/62/61/1058726261.db2.gz WTLXATPMDKTVNW-RTBURBONSA-N 1 3 300.490 4.009 20 0 DIADHO C[C@@H]1C[C@@H]([NH2+]CC(C)(c2ccccc2)c2ccccc2)C[C@H](C)N1 ZINC001246181519 1058726400 /nfs/dbraw/zinc/72/64/00/1058726400.db2.gz YZZNWAGVZXZLFB-RMFSNUHRSA-N 1 3 322.496 4.111 20 0 DIADHO C[C@H]1CC([NH2+]CC(C)(c2ccccc2)c2ccccc2)C[C@H](C)N1 ZINC001246181521 1058727696 /nfs/dbraw/zinc/72/76/96/1058727696.db2.gz YZZNWAGVZXZLFB-ROUUACIJSA-N 1 3 322.496 4.111 20 0 DIADHO Cc1cc(C)c(C[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)c(C)c1 ZINC001246186368 1058729800 /nfs/dbraw/zinc/72/98/00/1058729800.db2.gz ZOCAUTCSEVHYJT-LEWJYISDSA-N 1 3 322.496 4.065 20 0 DIADHO Cc1cc(F)cc(C)c1CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246201076 1058740860 /nfs/dbraw/zinc/74/08/60/1058740860.db2.gz UKLOTLWBZMTELK-UYAOXDASSA-N 1 3 312.432 4.025 20 0 DIADHO CCCc1ccc(C[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246227868 1058748781 /nfs/dbraw/zinc/74/87/81/1058748781.db2.gz GLOFFGOGAHWOTC-FGZHOGPDSA-N 1 3 322.496 4.092 20 0 DIADHO CCCc1ccc(C[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246227869 1058750856 /nfs/dbraw/zinc/75/08/56/1058750856.db2.gz GLOFFGOGAHWOTC-VXKWHMMOSA-N 1 3 322.496 4.092 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CCN1 ZINC001246236641 1058759591 /nfs/dbraw/zinc/75/95/91/1058759591.db2.gz XMSAPBYKOCRURN-HAGHYFMRSA-N 1 3 314.517 4.469 20 0 DIADHO CCCC[C@@H]1C[C@H](NCCc2ccc3ccccc3c2)CC[NH2+]1 ZINC001246236697 1058759871 /nfs/dbraw/zinc/75/98/71/1058759871.db2.gz YBOJAWPQXOOGRM-NHCUHLMSSA-N 1 3 310.485 4.283 20 0 DIADHO CC(C)[C@@H]([NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246237272 1058761780 /nfs/dbraw/zinc/76/17/80/1058761780.db2.gz HMNYUCZXDKGYKT-FDFHNCONSA-N 1 3 322.496 4.337 20 0 DIADHO CC(C)[C@@H](N[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246237272 1058761802 /nfs/dbraw/zinc/76/18/02/1058761802.db2.gz HMNYUCZXDKGYKT-FDFHNCONSA-N 1 3 322.496 4.337 20 0 DIADHO C[C@@H]1CC([NH2+]CCC(c2ccccc2)c2ccccc2)C[C@@H](C)N1 ZINC001246236595 1058762135 /nfs/dbraw/zinc/76/21/35/1058762135.db2.gz XKCWQYSOUHXGDM-QZTJIDSGSA-N 1 3 322.496 4.327 20 0 DIADHO CC[C@@H]1C[C@@H](NCC2(c3ccc(Cl)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246241082 1058766329 /nfs/dbraw/zinc/76/63/29/1058766329.db2.gz WQTJXBWKZPOWCP-BCDXTJNWSA-N 1 3 320.908 4.270 20 0 DIADHO C[C@@H](NC1CCC2(C[NH2+]C2)CC1)c1c(Cl)cccc1Cl ZINC001246252776 1058772277 /nfs/dbraw/zinc/77/22/77/1058772277.db2.gz IUJPKXGHWDJLRS-LLVKDONJSA-N 1 3 313.272 4.176 20 0 DIADHO CC[C@@H](N[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1cccc(C)c1 ZINC001246268289 1058785897 /nfs/dbraw/zinc/78/58/97/1058785897.db2.gz OUFMBQOUCIQXRP-BHDDXSALSA-N 1 3 322.496 4.399 20 0 DIADHO CC[C@@H]([NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1)c1cccc(C)c1 ZINC001246268289 1058785919 /nfs/dbraw/zinc/78/59/19/1058785919.db2.gz OUFMBQOUCIQXRP-BHDDXSALSA-N 1 3 322.496 4.399 20 0 DIADHO Cc1ccc([C@H](C)[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)c(C)c1 ZINC001246288743 1058801534 /nfs/dbraw/zinc/80/15/34/1058801534.db2.gz CDMXIAFKZPZWHR-SESVDKBCSA-N 1 3 322.496 4.317 20 0 DIADHO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246298219 1058811024 /nfs/dbraw/zinc/81/10/24/1058811024.db2.gz UPJKFQLTEJRMHI-UIFIKXQLSA-N 1 3 308.469 4.009 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CCN1 ZINC001246303497 1058812154 /nfs/dbraw/zinc/81/21/54/1058812154.db2.gz IKDATFRYXAGWGX-GUDVDZBRSA-N 1 3 320.908 4.098 20 0 DIADHO C[C@H](NC1CCC2(CC[NH2+]C2)CC1)c1c(F)cccc1Cl ZINC001246298233 1058813038 /nfs/dbraw/zinc/81/30/38/1058813038.db2.gz VGNKFGLJLCVCKE-POZPTJLLSA-N 1 3 310.844 4.052 20 0 DIADHO c1ccc(C[C@@H]2C[C@H]([NH2+]C3(c4ccccc4)CCC3)CCN2)cc1 ZINC001246314467 1058824431 /nfs/dbraw/zinc/82/44/31/1058824431.db2.gz XFGGHLNIEMQWDJ-NHCUHLMSSA-N 1 3 320.480 4.019 20 0 DIADHO C[NH2+]C1CCC(NC2c3ccccc3Oc3ccccc32)CC1 ZINC001246322990 1058833255 /nfs/dbraw/zinc/83/32/55/1058833255.db2.gz DCCFMMWTIUVOTO-UHFFFAOYSA-N 1 3 308.425 4.002 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246335021 1058843660 /nfs/dbraw/zinc/84/36/60/1058843660.db2.gz WKLDQYAGMJRVKM-ZRNYENFQSA-N 1 3 300.490 4.051 20 0 DIADHO C[C@@H]1CCC[C@@H](NC2(c3ccc(Cl)cc3)CC[NH2+]CC2)C1 ZINC001246339920 1058847874 /nfs/dbraw/zinc/84/78/74/1058847874.db2.gz GYGDMPUMLRRCID-RHSMWYFYSA-N 1 3 306.881 4.087 20 0 DIADHO C[C@H]1CCC[C@H](NC2(c3ccc(Cl)cc3)CC[NH2+]CC2)C1 ZINC001246339922 1058848296 /nfs/dbraw/zinc/84/82/96/1058848296.db2.gz GYGDMPUMLRRCID-YOEHRIQHSA-N 1 3 306.881 4.087 20 0 DIADHO C[C@@H]1CC[C@@H](NC2(c3ccc(Cl)cc3)CC[NH2+]CC2)C[C@@H]1C ZINC001246341937 1058851758 /nfs/dbraw/zinc/85/17/58/1058851758.db2.gz QIMUHWNLZVUXCK-RVKKMQEKSA-N 1 3 320.908 4.333 20 0 DIADHO Cc1ccc(C[C@H](N[C@H]2CCC[NH2+]CC2)c2ccccc2)cc1 ZINC001246341504 1058852174 /nfs/dbraw/zinc/85/21/74/1058852174.db2.gz ZSTHRJRETWYEDT-SFTDATJTSA-N 1 3 308.469 4.011 20 0 DIADHO C[C@@H]1CC(NC2(c3ccc(Cl)cc3)CC[NH2+]CC2)C[C@@H](C)C1 ZINC001246342957 1058852548 /nfs/dbraw/zinc/85/25/48/1058852548.db2.gz UGTCRUKLOHTTPT-GJZGRUSLSA-N 1 3 320.908 4.333 20 0 DIADHO CCCC[C@H]1C[C@H](NCCc2ccc(C(C)C)cc2)CC[NH2+]1 ZINC001246343613 1058853719 /nfs/dbraw/zinc/85/37/19/1058853719.db2.gz NJZZBSDYAWOLOS-VQTJNVASSA-N 1 3 302.506 4.253 20 0 DIADHO CCCC[C@H]1C[C@H]([NH2+]CCc2ccc(C(C)C)cc2)CCN1 ZINC001246343613 1058853736 /nfs/dbraw/zinc/85/37/36/1058853736.db2.gz NJZZBSDYAWOLOS-VQTJNVASSA-N 1 3 302.506 4.253 20 0 DIADHO CC(C)(N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC001246349710 1058862911 /nfs/dbraw/zinc/86/29/11/1058862911.db2.gz NYOYWEOCMOCUCK-RBUKOAKNSA-N 1 3 312.432 4.144 20 0 DIADHO CC(C)CC1([NH2+][C@H]2CCNC(C)(C)C2)CCC(F)(F)CC1 ZINC001246364437 1058868241 /nfs/dbraw/zinc/86/82/41/1058868241.db2.gz BQUPVKZHESTZLV-AWEZNQCLSA-N 1 3 302.453 4.101 20 0 DIADHO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246370751 1058874701 /nfs/dbraw/zinc/87/47/01/1058874701.db2.gz GRWLJNVYUICDPQ-YHYVQYDKSA-N 1 3 322.496 4.263 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccccc2C)CCN1 ZINC001246373954 1058878175 /nfs/dbraw/zinc/87/81/75/1058878175.db2.gz SIBRSGOGSICQIB-OALUTQOASA-N 1 3 302.506 4.217 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[NH2+]C1(CC2CC2)CCNCC1 ZINC001246380980 1058885284 /nfs/dbraw/zinc/88/52/84/1058885284.db2.gz LVQYOAFOCBVGPV-FQEVSTJZSA-N 1 3 314.517 4.300 20 0 DIADHO C[C@@H]1CCC[C@@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)C1 ZINC001246382645 1058887109 /nfs/dbraw/zinc/88/71/09/1058887109.db2.gz ZASZAUHQKBRIQI-NVXWUHKLSA-N 1 3 320.908 4.173 20 0 DIADHO Cc1cccc(C(C)(C)[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)c1 ZINC001246388911 1058893184 /nfs/dbraw/zinc/89/31/84/1058893184.db2.gz NOIZFAIAALAWHR-SFTDATJTSA-N 1 3 322.496 4.183 20 0 DIADHO CCCC[C@@H](CCC)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246390346 1058893287 /nfs/dbraw/zinc/89/32/87/1058893287.db2.gz LJMCVNLCCJKELY-LJQANCHMSA-N 1 3 320.496 4.439 20 0 DIADHO CCCC[C@H]1C[C@H]([NH2+]CC(C)(C)Cc2ccc(C)cc2)CCN1 ZINC001246386109 1058893526 /nfs/dbraw/zinc/89/35/26/1058893526.db2.gz DVPRMOYTKKXLQC-VQTJNVASSA-N 1 3 316.533 4.464 20 0 DIADHO CC(C)C[C@H](Cc1ccccc1)[NH2+]C1(CC2CC2)CCNCC1 ZINC001246392714 1058896472 /nfs/dbraw/zinc/89/64/72/1058896472.db2.gz RCOBGTVWYGLUJX-HXUWFJFHSA-N 1 3 314.517 4.156 20 0 DIADHO CC(C)C[C@@H](Cc1ccccc1)[NH2+]C1(CC2CC2)CCNCC1 ZINC001246392710 1058896567 /nfs/dbraw/zinc/89/65/67/1058896567.db2.gz RCOBGTVWYGLUJX-FQEVSTJZSA-N 1 3 314.517 4.156 20 0 DIADHO CCCC[C@H]1C[C@H](NC2(Cc3cccc(F)c3)CCC2)CC[NH2+]1 ZINC001246395366 1058901275 /nfs/dbraw/zinc/90/12/75/1058901275.db2.gz VGCVTQYFZHFMOJ-RBUKOAKNSA-N 1 3 318.480 4.191 20 0 DIADHO C[C@H]1CC(NC2(c3ccccc3)CCC(F)(F)CC2)C[C@H](C)[NH2+]1 ZINC001246400056 1058903499 /nfs/dbraw/zinc/90/34/99/1058903499.db2.gz IGIRBGWMBJRQKH-GJZGRUSLSA-N 1 3 322.443 4.210 20 0 DIADHO C[C@@H]1CC(NC2(c3ccccc3)CCC(F)(F)CC2)C[C@@H](C)[NH2+]1 ZINC001246400057 1058905913 /nfs/dbraw/zinc/90/59/13/1058905913.db2.gz IGIRBGWMBJRQKH-HUUCEWRRSA-N 1 3 322.443 4.210 20 0 DIADHO CC[C@@H]1C[C@H]([NH2+]C2(CC3CCC3)CCC(F)(F)CC2)CCN1 ZINC001246404199 1058907936 /nfs/dbraw/zinc/90/79/36/1058907936.db2.gz GXSPKFXSIJHHQC-HZPDHXFCSA-N 1 3 314.464 4.245 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+]CC(C)(C)Cc2cccc(F)c2)CCN1 ZINC001246433640 1058927669 /nfs/dbraw/zinc/92/76/69/1058927669.db2.gz UBICVYMBUTXRSH-MOPGFXCFSA-N 1 3 320.496 4.295 20 0 DIADHO CCCC[C@@H](CCC)[NH2+]C1(c2ccccc2F)CCNCC1 ZINC001246430776 1058927778 /nfs/dbraw/zinc/92/77/78/1058927778.db2.gz SEYFQJSVPTWGBM-MRXNPFEDSA-N 1 3 306.469 4.353 20 0 DIADHO CCC1CCC(NC2(c3cccc(Cl)c3)CC[NH2+]CC2)CC1 ZINC001246431388 1058928024 /nfs/dbraw/zinc/92/80/24/1058928024.db2.gz STRKWMHFDFYNPI-UHFFFAOYSA-N 1 3 320.908 4.477 20 0 DIADHO CCCC[C@H]1C[C@H]([NH2+]CC(C)(C)Cc2ccc(F)cc2)CCN1 ZINC001246434772 1058930772 /nfs/dbraw/zinc/93/07/72/1058930772.db2.gz YJSZZPGSLHRCKM-RBUKOAKNSA-N 1 3 320.496 4.295 20 0 DIADHO C[C@@H]1C[C@@H](NC2(c3cccc(F)c3)CC[NH2+]CC2)CC(C)(C)C1 ZINC001246439093 1058931832 /nfs/dbraw/zinc/93/18/32/1058931832.db2.gz TUVRFHODWYEVRF-CRAIPNDOSA-N 1 3 318.480 4.209 20 0 DIADHO CCCC[C@H]1C[C@H](NCC2(Cc3ccccc3F)CC2)CC[NH2+]1 ZINC001246440105 1058934752 /nfs/dbraw/zinc/93/47/52/1058934752.db2.gz RLMZSBLLCFVWFB-ZWKOTPCHSA-N 1 3 318.480 4.049 20 0 DIADHO CCCC[C@H]1C[C@H]([NH2+]CC2(Cc3ccccc3F)CC2)CCN1 ZINC001246440105 1058934770 /nfs/dbraw/zinc/93/47/70/1058934770.db2.gz RLMZSBLLCFVWFB-ZWKOTPCHSA-N 1 3 318.480 4.049 20 0 DIADHO CCCC[C@@H]1C[C@H](NCC2(Cc3ccccc3F)CC2)CC[NH2+]1 ZINC001246440103 1058935855 /nfs/dbraw/zinc/93/58/55/1058935855.db2.gz RLMZSBLLCFVWFB-QZTJIDSGSA-N 1 3 318.480 4.049 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccc3F)CC2)CCN1 ZINC001246440103 1058935871 /nfs/dbraw/zinc/93/58/71/1058935871.db2.gz RLMZSBLLCFVWFB-QZTJIDSGSA-N 1 3 318.480 4.049 20 0 DIADHO C[C@H](Cc1cccc(Cl)c1)[NH2+]C1(CC2CCC2)CCNCC1 ZINC001246448340 1058937238 /nfs/dbraw/zinc/93/72/38/1058937238.db2.gz SVCNVPGGOGQMNY-OAHLLOKOSA-N 1 3 320.908 4.173 20 0 DIADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1(CC2CCC2)CCNCC1 ZINC001246450043 1058937967 /nfs/dbraw/zinc/93/79/67/1058937967.db2.gz ZLWXYUQPAMNJBD-OAHLLOKOSA-N 1 3 320.908 4.173 20 0 DIADHO CCCC(CCC)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246463185 1058949698 /nfs/dbraw/zinc/94/96/98/1058949698.db2.gz PVNUZJQIWBWOQD-UHFFFAOYSA-N 1 3 306.469 4.049 20 0 DIADHO Fc1cccc2c1CCC[C@H]2N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246500166 1058973165 /nfs/dbraw/zinc/97/31/65/1058973165.db2.gz PHRCZRKKBSFXBG-MAODMQOUSA-N 1 3 324.443 4.286 20 0 DIADHO C[C@@H](Cc1cccc(Cl)c1)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246511432 1058979531 /nfs/dbraw/zinc/97/95/31/1058979531.db2.gz IVMXREMIUGPAMT-YJBOKZPZSA-N 1 3 320.908 4.316 20 0 DIADHO CC(C)[C@@H]([NH2+]C1CCC(c2ccc(Cl)cc2)CC1)C1CNC1 ZINC001246521075 1058982124 /nfs/dbraw/zinc/98/21/24/1058982124.db2.gz YXIRSUFHCBEILJ-XUJQIHCRSA-N 1 3 320.908 4.200 20 0 DIADHO Clc1ccc([C@@H](C[NH2+][C@H]2CCNC3(CCC3)C2)C2CC2)cc1 ZINC001246515245 1058983247 /nfs/dbraw/zinc/98/32/47/1058983247.db2.gz LIJJNSWAEOTQCQ-ROUUACIJSA-N 1 3 318.892 4.098 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246550007 1058996422 /nfs/dbraw/zinc/99/64/22/1058996422.db2.gz UOSNQJJWACARSU-BBTUJRGHSA-N 1 3 322.496 4.124 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246550007 1058996446 /nfs/dbraw/zinc/99/64/46/1058996446.db2.gz UOSNQJJWACARSU-BBTUJRGHSA-N 1 3 322.496 4.124 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)N1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246549196 1058997810 /nfs/dbraw/zinc/99/78/10/1058997810.db2.gz VMARJHBAXOOYCV-DYEKYZERSA-N 1 3 315.288 4.126 20 0 DIADHO CC(C)C[N@H+](Cc1ccccc1)[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246562258 1059007693 /nfs/dbraw/zinc/00/76/93/1059007693.db2.gz XKLRZRPIHAPGBH-MOPGFXCFSA-N 1 3 302.506 4.311 20 0 DIADHO CC(C)C[N@@H+](Cc1ccccc1)[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246562258 1059007712 /nfs/dbraw/zinc/00/77/12/1059007712.db2.gz XKLRZRPIHAPGBH-MOPGFXCFSA-N 1 3 302.506 4.311 20 0 DIADHO CC(C)[C@@H]1C[C@H](N2CCC(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246591972 1059014986 /nfs/dbraw/zinc/01/49/86/1059014986.db2.gz DMDWVBUOLCATHQ-MOPGFXCFSA-N 1 3 320.908 4.296 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[N@H+](C(C)C)[C@H]1CCCNCC1 ZINC001246593422 1059015046 /nfs/dbraw/zinc/01/50/46/1059015046.db2.gz MUVZXMZIOLRUAK-PMACEKPBSA-N 1 3 302.506 4.250 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[N@@H+](C(C)C)[C@H]1CCCNCC1 ZINC001246593422 1059015068 /nfs/dbraw/zinc/01/50/68/1059015068.db2.gz MUVZXMZIOLRUAK-PMACEKPBSA-N 1 3 302.506 4.250 20 0 DIADHO C[C@H]1CC[C@H](CN)C[N@@H+]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246589420 1059015277 /nfs/dbraw/zinc/01/52/77/1059015277.db2.gz DZTDEQNLCQOXTJ-HHXKTQCLSA-N 1 3 320.908 4.425 20 0 DIADHO C[C@H]1CC[C@H](CN)C[N@H+]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246589420 1059015300 /nfs/dbraw/zinc/01/53/00/1059015300.db2.gz DZTDEQNLCQOXTJ-HHXKTQCLSA-N 1 3 320.908 4.425 20 0 DIADHO Clc1ccc(C2CC[NH+]([C@H]3CCNC4(CCC4)C3)CC2)cc1 ZINC001246597027 1059017886 /nfs/dbraw/zinc/01/78/86/1059017886.db2.gz DQJOCAFGEYUSFM-SFHVURJKSA-N 1 3 318.892 4.194 20 0 DIADHO Clc1ccc(C2CCN([C@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC001246597027 1059017907 /nfs/dbraw/zinc/01/79/07/1059017907.db2.gz DQJOCAFGEYUSFM-SFHVURJKSA-N 1 3 318.892 4.194 20 0 DIADHO Clc1ccc(C2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)N4)CC2)cc1 ZINC001246605645 1059023249 /nfs/dbraw/zinc/02/32/49/1059023249.db2.gz WVDBYUMXLBSMDX-BWTSREIZSA-N 1 3 318.892 4.193 20 0 DIADHO Clc1ccc(C2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246605645 1059023266 /nfs/dbraw/zinc/02/32/66/1059023266.db2.gz WVDBYUMXLBSMDX-BWTSREIZSA-N 1 3 318.892 4.193 20 0 DIADHO CCC[C@H](Cc1ccccc1)N1CCC2(CCCC[NH2+]2)CC1 ZINC001246612504 1059025648 /nfs/dbraw/zinc/02/56/48/1059025648.db2.gz QRGYTAYPRGVDNW-LJQANCHMSA-N 1 3 300.490 4.006 20 0 DIADHO c1ccc(CC2CCC([N@@H+]3CCC[C@]34CCCNC4)CC2)cc1 ZINC001246610049 1059026385 /nfs/dbraw/zinc/02/63/85/1059026385.db2.gz NSFOFLAZPPPLQQ-CBNMVNINSA-N 1 3 312.501 4.006 20 0 DIADHO c1ccc(CC2CCC([N@H+]3CCC[C@]34CCCNC4)CC2)cc1 ZINC001246610049 1059026415 /nfs/dbraw/zinc/02/64/15/1059026415.db2.gz NSFOFLAZPPPLQQ-CBNMVNINSA-N 1 3 312.501 4.006 20 0 DIADHO C[C@H](Cc1ccccc1F)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246609272 1059028482 /nfs/dbraw/zinc/02/84/82/1059028482.db2.gz MCKMRSGADHUSGM-XLIONFOSSA-N 1 3 318.480 4.003 20 0 DIADHO c1ccc(CC2CCC([N@@H+]3CC[C@@]4(C3)CCCCN4)CC2)cc1 ZINC001246619954 1059034837 /nfs/dbraw/zinc/03/48/37/1059034837.db2.gz JMQROVLVKOTYIG-XVAXZDLZSA-N 1 3 312.501 4.006 20 0 DIADHO c1ccc(CC2CCC([N@H+]3CC[C@@]4(C3)CCCCN4)CC2)cc1 ZINC001246619954 1059034862 /nfs/dbraw/zinc/03/48/62/1059034862.db2.gz JMQROVLVKOTYIG-XVAXZDLZSA-N 1 3 312.501 4.006 20 0 DIADHO c1ccc2c(c1)CCC21CCC([N@@H+]2CC[C@@]3(C2)CCCCN3)CC1 ZINC001246628969 1059036502 /nfs/dbraw/zinc/03/65/02/1059036502.db2.gz ZGCWHYUVSKQFRV-KITAHSCOSA-N 1 3 324.512 4.031 20 0 DIADHO c1ccc2c(c1)CCC21CCC([N@H+]2CC[C@@]3(C2)CCCCN3)CC1 ZINC001246628969 1059036524 /nfs/dbraw/zinc/03/65/24/1059036524.db2.gz ZGCWHYUVSKQFRV-KITAHSCOSA-N 1 3 324.512 4.031 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[N@@H+]1CCCC12CCNCC2 ZINC001246648716 1059048667 /nfs/dbraw/zinc/04/86/67/1059048667.db2.gz ZAJGVYACEQFURT-LJQANCHMSA-N 1 3 300.490 4.006 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[N@H+]1CCCC12CCNCC2 ZINC001246648716 1059048686 /nfs/dbraw/zinc/04/86/86/1059048686.db2.gz ZAJGVYACEQFURT-LJQANCHMSA-N 1 3 300.490 4.006 20 0 DIADHO CCCCCC[C@@H](CCC)N1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246658050 1059054410 /nfs/dbraw/zinc/05/44/10/1059054410.db2.gz SUQDPTSUJSTWAN-XHSDSOJGSA-N 1 3 320.443 4.209 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2c2ccccc2C)CCN1 ZINC001246681373 1059063001 /nfs/dbraw/zinc/06/30/01/1059063001.db2.gz OBQOWYHEGKSHHT-GGPKGHCWSA-N 1 3 300.490 4.443 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2ccccc2C)CCN1 ZINC001246681373 1059063021 /nfs/dbraw/zinc/06/30/21/1059063021.db2.gz OBQOWYHEGKSHHT-GGPKGHCWSA-N 1 3 300.490 4.443 20 0 DIADHO Cc1ccccc1[C@@H]1CCC[N@@H+]1[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246680751 1059065586 /nfs/dbraw/zinc/06/55/86/1059065586.db2.gz KZIDPIJCQCPCJL-YTQUADARSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccccc1[C@@H]1CCC[N@H+]1[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246680751 1059065608 /nfs/dbraw/zinc/06/56/08/1059065608.db2.gz KZIDPIJCQCPCJL-YTQUADARSA-N 1 3 300.490 4.299 20 0 DIADHO CCCCCC1CCC([N@@H+]2C[C@@H](CF)[C@H](C3(N)CC3)C2)CC1 ZINC001246698364 1059067215 /nfs/dbraw/zinc/06/72/15/1059067215.db2.gz XTAMOQGKCYPVFO-GPQLOAJWSA-N 1 3 310.501 4.134 20 0 DIADHO CCCCCC1CCC([N@H+]2C[C@@H](CF)[C@H](C3(N)CC3)C2)CC1 ZINC001246698364 1059067230 /nfs/dbraw/zinc/06/72/30/1059067230.db2.gz XTAMOQGKCYPVFO-GPQLOAJWSA-N 1 3 310.501 4.134 20 0 DIADHO CCC(C)(C)C1CCC([N@@H+]2CC[C@@]3(C2)CNCC[C@H]3F)CC1 ZINC001246687706 1059070153 /nfs/dbraw/zinc/07/01/53/1059070153.db2.gz DWNHXORARDGOAY-WXVPWVKJSA-N 1 3 310.501 4.005 20 0 DIADHO CCC(C)(C)C1CCC([N@H+]2CC[C@@]3(C2)CNCC[C@H]3F)CC1 ZINC001246687706 1059070176 /nfs/dbraw/zinc/07/01/76/1059070176.db2.gz DWNHXORARDGOAY-WXVPWVKJSA-N 1 3 310.501 4.005 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246775611 1059078297 /nfs/dbraw/zinc/07/82/97/1059078297.db2.gz IZQNTDAOIAMFLQ-QRVBRYPASA-N 1 3 300.490 4.033 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246775611 1059078318 /nfs/dbraw/zinc/07/83/18/1059078318.db2.gz IZQNTDAOIAMFLQ-QRVBRYPASA-N 1 3 300.490 4.033 20 0 DIADHO CC[C@@H]1CC(N2CCC[C@@H]2c2ccc(OC)cc2)C[C@@H](CC)[NH2+]1 ZINC001246783157 1059079313 /nfs/dbraw/zinc/07/93/13/1059079313.db2.gz WSUSULINNXTGAM-MBOZVWFJSA-N 1 3 316.489 4.141 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246775607 1059081401 /nfs/dbraw/zinc/08/14/01/1059081401.db2.gz IZQNTDAOIAMFLQ-OTWHNJEPSA-N 1 3 300.490 4.033 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246775607 1059081423 /nfs/dbraw/zinc/08/14/23/1059081423.db2.gz IZQNTDAOIAMFLQ-OTWHNJEPSA-N 1 3 300.490 4.033 20 0 DIADHO CC[C@H]1CC(N2CCC(c3cccs3)CC2)C[C@H](CC)[NH2+]1 ZINC001246786839 1059085719 /nfs/dbraw/zinc/08/57/19/1059085719.db2.gz AIONEGXDKMNUBD-HOTGVXAUSA-N 1 3 306.519 4.237 20 0 DIADHO Clc1ccc(C2CCC([N@@H+]3CCCC4(CNC4)C3)CC2)cc1 ZINC001246789616 1059089754 /nfs/dbraw/zinc/08/97/54/1059089754.db2.gz CSZUJXNSNIUGDR-UHFFFAOYSA-N 1 3 318.892 4.052 20 0 DIADHO Clc1ccc(C2CCC([N@H+]3CCCC4(CNC4)C3)CC2)cc1 ZINC001246789616 1059089776 /nfs/dbraw/zinc/08/97/76/1059089776.db2.gz CSZUJXNSNIUGDR-UHFFFAOYSA-N 1 3 318.892 4.052 20 0 DIADHO Clc1ccc(C2CCC(N3CCCC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246789616 1059089794 /nfs/dbraw/zinc/08/97/94/1059089794.db2.gz CSZUJXNSNIUGDR-UHFFFAOYSA-N 1 3 318.892 4.052 20 0 DIADHO CC[C@@H]1C[C@@H](N2CCC[C@H]2c2ccccc2OC)C[C@H](CC)[NH2+]1 ZINC001246792528 1059094604 /nfs/dbraw/zinc/09/46/04/1059094604.db2.gz QLXBIEUVPPTQFA-ZMMAXQRCSA-N 1 3 316.489 4.141 20 0 DIADHO c1ccc2cc(C3CCN([C@H]4C[C@H]5CC[C@@H](C4)[NH2+]5)CC3)ccc2c1 ZINC001246794475 1059095772 /nfs/dbraw/zinc/09/57/72/1059095772.db2.gz ZVPTVRVTNNOVAR-ZBYYUNFXSA-N 1 3 320.480 4.302 20 0 DIADHO CC[C@@H]1CC(N(C)CCc2ccc(Cl)cc2)C[C@@H](CC)[NH2+]1 ZINC001246813006 1059105100 /nfs/dbraw/zinc/10/51/00/1059105100.db2.gz HHXBBJHDGRHOPN-IAGOWNOFSA-N 1 3 308.897 4.124 20 0 DIADHO CC[C@H]1CC(N(C)CCc2ccc(Cl)cc2)C[C@H](CC)[NH2+]1 ZINC001246813007 1059106677 /nfs/dbraw/zinc/10/66/77/1059106677.db2.gz HHXBBJHDGRHOPN-IRXDYDNUSA-N 1 3 308.897 4.124 20 0 DIADHO CN(CCc1ccc(Cl)cc1)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246815607 1059110293 /nfs/dbraw/zinc/11/02/93/1059110293.db2.gz ZGGRSXCVAWDXFG-GOSISDBHSA-N 1 3 320.908 4.269 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H](N)CC[C@@H]1C ZINC001246818424 1059111448 /nfs/dbraw/zinc/11/14/48/1059111448.db2.gz BYJCSQSGOBORTL-DYEKYZERSA-N 1 3 315.288 4.126 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H](N)CC[C@@H]1C ZINC001246818424 1059111472 /nfs/dbraw/zinc/11/14/72/1059111472.db2.gz BYJCSQSGOBORTL-DYEKYZERSA-N 1 3 315.288 4.126 20 0 DIADHO Fc1cccc([C@H]2CCN([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)c1 ZINC001246833543 1059113470 /nfs/dbraw/zinc/11/34/70/1059113470.db2.gz LSCZYJSCTJCRMS-PKOBYXMFSA-N 1 3 316.464 4.070 20 0 DIADHO c1ccc(CCN(Cc2ccccc2)[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246841417 1059119160 /nfs/dbraw/zinc/11/91/60/1059119160.db2.gz RGOIZLXNAHGALO-KOUNCHBCSA-N 1 3 320.480 4.014 20 0 DIADHO CC[C@@H]1C[C@@H](N2CCC[C@@H]2c2cccc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246849069 1059128909 /nfs/dbraw/zinc/12/89/09/1059128909.db2.gz PWPZPQYHOTWWDS-AJYBTWMASA-N 1 3 316.489 4.141 20 0 DIADHO c1ccc(C[C@@H]2C[C@@H]([N@H+](Cc3ccccc3)C3CC3)CCN2)cc1 ZINC001246861085 1059135957 /nfs/dbraw/zinc/13/59/57/1059135957.db2.gz QIDQLRQAIUJOLD-IRLDBZIGSA-N 1 3 320.480 4.014 20 0 DIADHO c1ccc(C[C@@H]2C[C@@H]([N@@H+](Cc3ccccc3)C3CC3)CCN2)cc1 ZINC001246861085 1059135966 /nfs/dbraw/zinc/13/59/66/1059135966.db2.gz QIDQLRQAIUJOLD-IRLDBZIGSA-N 1 3 320.480 4.014 20 0 DIADHO CC[C@@H]1c2ccccc2CCN1[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246870578 1059142015 /nfs/dbraw/zinc/14/20/15/1059142015.db2.gz YMLKQOMQWFKXGE-BHIYHBOVSA-N 1 3 300.490 4.163 20 0 DIADHO CC[C@@H]1C[C@@H](N2CCc3ccccc3[C@@H]2CC)C[C@H](CC)[NH2+]1 ZINC001246868226 1059142536 /nfs/dbraw/zinc/14/25/36/1059142536.db2.gz RIEDDWLDQZMSCK-DMUMMCEESA-N 1 3 300.490 4.305 20 0 DIADHO CC(C)[C@H]1C[C@H](N2CCC(Sc3ccccc3)CC2)CC[NH2+]1 ZINC001246872774 1059142966 /nfs/dbraw/zinc/14/29/66/1059142966.db2.gz CKYNNWRUGLZTCG-VQIMIIECSA-N 1 3 318.530 4.020 20 0 DIADHO CC1(C)CN([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)Cc2ccccc21 ZINC001246872671 1059143862 /nfs/dbraw/zinc/14/38/62/1059143862.db2.gz WXDOYUQCLAYRRE-TZIWHRDSSA-N 1 3 320.480 4.273 20 0 DIADHO CCN(Cc1c(F)cccc1Cl)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246879877 1059146762 /nfs/dbraw/zinc/14/67/62/1059146762.db2.gz PXOFYWJCBKOVKG-KBXCAEBGSA-N 1 3 324.871 4.223 20 0 DIADHO C[N@H+]([C@@H]1CCNC2(CCCCC2)C1)C(C)(C)Cc1ccccc1 ZINC001246894294 1059160602 /nfs/dbraw/zinc/16/06/02/1059160602.db2.gz SUDNGZGHJARYOY-LJQANCHMSA-N 1 3 314.517 4.394 20 0 DIADHO C[N@@H+]([C@@H]1CCNC2(CCCCC2)C1)C(C)(C)Cc1ccccc1 ZINC001246894294 1059160609 /nfs/dbraw/zinc/16/06/09/1059160609.db2.gz SUDNGZGHJARYOY-LJQANCHMSA-N 1 3 314.517 4.394 20 0 DIADHO CCCCCC[C@H](CCC)N1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001246941571 1059189271 /nfs/dbraw/zinc/18/92/71/1059189271.db2.gz WHCRDBNOWYYXTP-SOUVJXGZSA-N 1 3 308.432 4.337 20 0 DIADHO CC[N@H+](Cc1ccc(C)cc1)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246908752 1059171257 /nfs/dbraw/zinc/17/12/57/1059171257.db2.gz MIRDYSRYBDUMLN-FCHUYYIVSA-N 1 3 322.496 4.180 20 0 DIADHO CC[N@@H+](Cc1ccc(C)cc1)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246908752 1059171270 /nfs/dbraw/zinc/17/12/70/1059171270.db2.gz MIRDYSRYBDUMLN-FCHUYYIVSA-N 1 3 322.496 4.180 20 0 DIADHO CCN(Cc1ccc(C)cc1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246908752 1059171279 /nfs/dbraw/zinc/17/12/79/1059171279.db2.gz MIRDYSRYBDUMLN-FCHUYYIVSA-N 1 3 322.496 4.180 20 0 DIADHO CC[N@H+](Cc1ccc(C)cc1)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246908758 1059171735 /nfs/dbraw/zinc/17/17/35/1059171735.db2.gz MIRDYSRYBDUMLN-YADHBBJMSA-N 1 3 322.496 4.180 20 0 DIADHO CC[N@@H+](Cc1ccc(C)cc1)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246908758 1059171744 /nfs/dbraw/zinc/17/17/44/1059171744.db2.gz MIRDYSRYBDUMLN-YADHBBJMSA-N 1 3 322.496 4.180 20 0 DIADHO CCN(Cc1ccc(C)cc1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246908758 1059171749 /nfs/dbraw/zinc/17/17/49/1059171749.db2.gz MIRDYSRYBDUMLN-YADHBBJMSA-N 1 3 322.496 4.180 20 0 DIADHO Cc1ccc([C@@H]2CCCC[N@@H+]2[C@H]2CCNC(C)(C)C2)cc1C ZINC001246908685 1059172132 /nfs/dbraw/zinc/17/21/32/1059172132.db2.gz MCDSJXKPBBZUMW-OALUTQOASA-N 1 3 300.490 4.361 20 0 DIADHO Cc1ccc([C@@H]2CCCC[N@H+]2[C@H]2CCNC(C)(C)C2)cc1C ZINC001246908685 1059172139 /nfs/dbraw/zinc/17/21/39/1059172139.db2.gz MCDSJXKPBBZUMW-OALUTQOASA-N 1 3 300.490 4.361 20 0 DIADHO FC(F)(F)c1ccc([C@H]2CCCN2[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246920262 1059176495 /nfs/dbraw/zinc/17/64/95/1059176495.db2.gz DJLMVAKVXNITEG-YYIAUSFCSA-N 1 3 324.390 4.125 20 0 DIADHO Cc1ccc(C[C@@H](C)[N@H+](C[C@H]2CCCNC2)C2CCCC2)cc1 ZINC001246934032 1059183518 /nfs/dbraw/zinc/18/35/18/1059183518.db2.gz NBPZSKRREPPGAM-QUCCMNQESA-N 1 3 314.517 4.170 20 0 DIADHO Cc1ccc(C[C@@H](C)[N@@H+](C[C@H]2CCCNC2)C2CCCC2)cc1 ZINC001246934032 1059183529 /nfs/dbraw/zinc/18/35/29/1059183529.db2.gz NBPZSKRREPPGAM-QUCCMNQESA-N 1 3 314.517 4.170 20 0 DIADHO CC1(C)CCC[C@@H]([N@H+](Cc2cccc(F)c2)C2CCNCC2)C1 ZINC001246933743 1059184033 /nfs/dbraw/zinc/18/40/33/1059184033.db2.gz BOOUQBBDGHGBSB-LJQANCHMSA-N 1 3 318.480 4.349 20 0 DIADHO CC1(C)CCC[C@@H]([N@@H+](Cc2cccc(F)c2)C2CCNCC2)C1 ZINC001246933743 1059184042 /nfs/dbraw/zinc/18/40/42/1059184042.db2.gz BOOUQBBDGHGBSB-LJQANCHMSA-N 1 3 318.480 4.349 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([NH+]2CCC(C)(c3ccccc3)CC2)CCN1 ZINC001246945869 1059188992 /nfs/dbraw/zinc/18/89/92/1059188992.db2.gz MICNSRDGEUYKJD-MOPGFXCFSA-N 1 3 314.517 4.207 20 0 DIADHO CC(C)CC[C@@H](C)[N@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001246944850 1059189610 /nfs/dbraw/zinc/18/96/10/1059189610.db2.gz VTJLBHRUOBRQCH-MRXNPFEDSA-N 1 3 306.469 4.204 20 0 DIADHO CC(C)CC[C@@H](C)[N@@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001246944850 1059189619 /nfs/dbraw/zinc/18/96/19/1059189619.db2.gz VTJLBHRUOBRQCH-MRXNPFEDSA-N 1 3 306.469 4.204 20 0 DIADHO CC(C)CC[C@@H](C)N(Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246944850 1059189636 /nfs/dbraw/zinc/18/96/36/1059189636.db2.gz VTJLBHRUOBRQCH-MRXNPFEDSA-N 1 3 306.469 4.204 20 0 DIADHO CCCC[C@@H](C)[N@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001246945575 1059190289 /nfs/dbraw/zinc/19/02/89/1059190289.db2.gz HBDSEFXMAKCHIC-OAHLLOKOSA-N 1 3 308.897 4.473 20 0 DIADHO CCCC[C@@H](C)[N@@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001246945575 1059190305 /nfs/dbraw/zinc/19/03/05/1059190305.db2.gz HBDSEFXMAKCHIC-OAHLLOKOSA-N 1 3 308.897 4.473 20 0 DIADHO CCCCC[C@H](C)[N@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001246943702 1059191465 /nfs/dbraw/zinc/19/14/65/1059191465.db2.gz SDBUWHLWFSGZGN-INIZCTEOSA-N 1 3 306.469 4.349 20 0 DIADHO CCCCC[C@H](C)[N@@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001246943702 1059191469 /nfs/dbraw/zinc/19/14/69/1059191469.db2.gz SDBUWHLWFSGZGN-INIZCTEOSA-N 1 3 306.469 4.349 20 0 DIADHO CCCCC[C@H](C)N(Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246943702 1059191475 /nfs/dbraw/zinc/19/14/75/1059191475.db2.gz SDBUWHLWFSGZGN-INIZCTEOSA-N 1 3 306.469 4.349 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH+]2CCC(C)(c3ccccc3)CC2)CCN1 ZINC001246946927 1059196717 /nfs/dbraw/zinc/19/67/17/1059196717.db2.gz SRQGPEOAEHJUCE-PMACEKPBSA-N 1 3 314.517 4.351 20 0 DIADHO CCCC[C@H]1C[C@@H](N2CCC(C)(c3ccccc3)CC2)CC[NH2+]1 ZINC001246946927 1059196727 /nfs/dbraw/zinc/19/67/27/1059196727.db2.gz SRQGPEOAEHJUCE-PMACEKPBSA-N 1 3 314.517 4.351 20 0 DIADHO CCC[C@H](CC)[N@H+](Cc1ccc(F)c(F)c1)C1CCNCC1 ZINC001246954887 1059201573 /nfs/dbraw/zinc/20/15/73/1059201573.db2.gz JKTORGADKHBPGS-HNNXBMFYSA-N 1 3 310.432 4.098 20 0 DIADHO CCC[C@H](CC)[N@@H+](Cc1ccc(F)c(F)c1)C1CCNCC1 ZINC001246954887 1059201590 /nfs/dbraw/zinc/20/15/90/1059201590.db2.gz JKTORGADKHBPGS-HNNXBMFYSA-N 1 3 310.432 4.098 20 0 DIADHO CCC[C@H](CC)N(Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001246954887 1059201608 /nfs/dbraw/zinc/20/16/08/1059201608.db2.gz JKTORGADKHBPGS-HNNXBMFYSA-N 1 3 310.432 4.098 20 0 DIADHO Cc1ccc(F)cc1C[N@H+](C1CCNCC1)C1CCC(C)CC1 ZINC001246962415 1059203570 /nfs/dbraw/zinc/20/35/70/1059203570.db2.gz JNXVPCGDSFSEDZ-UHFFFAOYSA-N 1 3 318.480 4.267 20 0 DIADHO Cc1ccc(F)cc1C[N@@H+](C1CCNCC1)C1CCC(C)CC1 ZINC001246962415 1059203585 /nfs/dbraw/zinc/20/35/85/1059203585.db2.gz JNXVPCGDSFSEDZ-UHFFFAOYSA-N 1 3 318.480 4.267 20 0 DIADHO CC[C@H]1CC[C@@H]([N@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246961465 1059205389 /nfs/dbraw/zinc/20/53/89/1059205389.db2.gz FOCICISDCREXBI-OXJNMPFZSA-N 1 3 318.480 4.267 20 0 DIADHO CC[C@H]1CC[C@@H]([N@@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246961465 1059205409 /nfs/dbraw/zinc/20/54/09/1059205409.db2.gz FOCICISDCREXBI-OXJNMPFZSA-N 1 3 318.480 4.267 20 0 DIADHO CC[C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246963873 1059208543 /nfs/dbraw/zinc/20/85/43/1059208543.db2.gz ZUQUPPFBABLZIX-JXFKEZNVSA-N 1 3 318.480 4.267 20 0 DIADHO CC[C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246963873 1059208552 /nfs/dbraw/zinc/20/85/52/1059208552.db2.gz ZUQUPPFBABLZIX-JXFKEZNVSA-N 1 3 318.480 4.267 20 0 DIADHO CC(C)C[C@H](Cc1ccccc1)[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001246976234 1059216532 /nfs/dbraw/zinc/21/65/32/1059216532.db2.gz VUIHINPCICEDHR-TZIWHRDSSA-N 1 3 314.517 4.108 20 0 DIADHO CC(C)C[C@H](Cc1ccccc1)[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001246976234 1059216548 /nfs/dbraw/zinc/21/65/48/1059216548.db2.gz VUIHINPCICEDHR-TZIWHRDSSA-N 1 3 314.517 4.108 20 0 DIADHO C([C@@H]1CCCNC1)[N@H+](C1CC1)[C@H]1CCCC2(CCCCC2)C1 ZINC001246971891 1059217186 /nfs/dbraw/zinc/21/71/86/1059217186.db2.gz ISVVNHHDBLVTLV-MJGOQNOKSA-N 1 3 304.522 4.344 20 0 DIADHO C([C@@H]1CCCNC1)[N@@H+](C1CC1)[C@H]1CCCC2(CCCCC2)C1 ZINC001246971891 1059217201 /nfs/dbraw/zinc/21/72/01/1059217201.db2.gz ISVVNHHDBLVTLV-MJGOQNOKSA-N 1 3 304.522 4.344 20 0 DIADHO CC(C)C[C@@H](Cc1ccccc1)[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001246976223 1059217949 /nfs/dbraw/zinc/21/79/49/1059217949.db2.gz VUIHINPCICEDHR-CTNGQTDRSA-N 1 3 314.517 4.108 20 0 DIADHO CC(C)C[C@@H](Cc1ccccc1)[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001246976223 1059217968 /nfs/dbraw/zinc/21/79/68/1059217968.db2.gz VUIHINPCICEDHR-CTNGQTDRSA-N 1 3 314.517 4.108 20 0 DIADHO CCC[C@H](CCc1ccccc1)[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001246971310 1059219081 /nfs/dbraw/zinc/21/90/81/1059219081.db2.gz FMMZRSOTWSGMIV-WOJBJXKFSA-N 1 3 314.517 4.252 20 0 DIADHO CCC[C@H](CCc1ccccc1)[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001246971310 1059219099 /nfs/dbraw/zinc/21/90/99/1059219099.db2.gz FMMZRSOTWSGMIV-WOJBJXKFSA-N 1 3 314.517 4.252 20 0 DIADHO CC[C@H](Cc1ccccc1)[N@H+]([C@H]1CCNC1)C1CCCCC1 ZINC001246977610 1059224937 /nfs/dbraw/zinc/22/49/37/1059224937.db2.gz ICWQZLUQGATBKY-QUCCMNQESA-N 1 3 300.490 4.004 20 0 DIADHO CC[C@H](Cc1ccccc1)[N@@H+]([C@H]1CCNC1)C1CCCCC1 ZINC001246977610 1059224953 /nfs/dbraw/zinc/22/49/53/1059224953.db2.gz ICWQZLUQGATBKY-QUCCMNQESA-N 1 3 300.490 4.004 20 0 DIADHO Cc1ccccc1[C@H]1CCC[N@@H+]1[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001247001761 1059235680 /nfs/dbraw/zinc/23/56/80/1059235680.db2.gz KZIDPIJCQCPCJL-QXAKKESOSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccccc1[C@H]1CCC[N@H+]1[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001247001761 1059235703 /nfs/dbraw/zinc/23/57/03/1059235703.db2.gz KZIDPIJCQCPCJL-QXAKKESOSA-N 1 3 300.490 4.299 20 0 DIADHO CC[C@H](CC(F)F)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001559524830 1059320275 /nfs/dbraw/zinc/32/02/75/1059320275.db2.gz RNMIFPCLJNKMKG-IAGOWNOFSA-N 1 3 316.480 4.256 20 0 DIADHO CCc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC001559594116 1059428227 /nfs/dbraw/zinc/42/82/27/1059428227.db2.gz JKNMWNGOGKIIGM-KNQAVFIVSA-N 1 3 322.496 4.318 20 0 DIADHO CCc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC001559594116 1059428234 /nfs/dbraw/zinc/42/82/34/1059428234.db2.gz JKNMWNGOGKIIGM-KNQAVFIVSA-N 1 3 322.496 4.318 20 0 DIADHO C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC001560077684 1059895074 /nfs/dbraw/zinc/89/50/74/1059895074.db2.gz UJIJPZDKVNCVAP-SUMDDJOVSA-N 1 3 300.490 4.071 20 0 DIADHO C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC001560077684 1059895097 /nfs/dbraw/zinc/89/50/97/1059895097.db2.gz UJIJPZDKVNCVAP-SUMDDJOVSA-N 1 3 300.490 4.071 20 0 DIADHO C[NH+](C)Cc1cccc(CNCc2cccc(CC3CCC3)c2)c1 ZINC001560263325 1060030421 /nfs/dbraw/zinc/03/04/21/1060030421.db2.gz ZANRDLSIPZIRBU-UHFFFAOYSA-N 1 3 322.496 4.381 20 0 DIADHO C[C@H](C[NH2+]CC[C@H](C)N(C)C)Cc1ccc(C(C)(C)C)cc1 ZINC001560546763 1060356150 /nfs/dbraw/zinc/35/61/50/1060356150.db2.gz HWGVTDOHCQCFJK-IRXDYDNUSA-N 1 3 304.522 4.093 20 0 DIADHO C[NH+](C)CC[C@@H](N[C@H]1CCCC(C)(C)CC1)c1cccnc1 ZINC001560597631 1060411231 /nfs/dbraw/zinc/41/12/31/1060411231.db2.gz VNPITJUMYKKWPH-ZWKOTPCHSA-N 1 3 303.494 4.023 20 0 DIADHO Cc1cccc(C[C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC001560749507 1060616257 /nfs/dbraw/zinc/61/62/57/1060616257.db2.gz HRKOZYBALRDYBT-NSHGMRRFSA-N 1 3 314.517 4.169 20 0 DIADHO C[C@H](CC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)N1CCCCC1 ZINC001560751430 1060617967 /nfs/dbraw/zinc/61/79/67/1060617967.db2.gz SGXXBAGAQAIIBW-HMXCVIKNSA-N 1 3 314.517 4.252 20 0 DIADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC[C@H](C)N2CCCCC2)cc1 ZINC001560751625 1060618674 /nfs/dbraw/zinc/61/86/74/1060618674.db2.gz USQQUGYIDDSGPQ-JBACZVJFSA-N 1 3 314.517 4.485 20 0 DIADHO C[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001560820954 1060679421 /nfs/dbraw/zinc/67/94/21/1060679421.db2.gz ZWRAMUBINMOPLK-LMNJBCLMSA-N 1 3 314.517 4.313 20 0 DIADHO C[C@@H](CC[NH2+]CC(Cc1ccccc1)Cc1ccccc1)N(C)C ZINC001560951972 1060820342 /nfs/dbraw/zinc/82/03/42/1060820342.db2.gz WPQKAHGDNSHENP-IBGZPJMESA-N 1 3 324.512 4.018 20 0 DIADHO Cc1ccccc1-c1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC001560972102 1060834370 /nfs/dbraw/zinc/83/43/70/1060834370.db2.gz CUGPDBFQINBTMI-UGKGYDQZSA-N 1 3 320.480 4.188 20 0 DIADHO Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC001560972102 1060834383 /nfs/dbraw/zinc/83/43/83/1060834383.db2.gz CUGPDBFQINBTMI-UGKGYDQZSA-N 1 3 320.480 4.188 20 0 DIADHO CC(C)C([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(C)C ZINC001561048809 1060898177 /nfs/dbraw/zinc/89/81/77/1060898177.db2.gz FPFXKSDGUDEPOB-UFYCRDLUSA-N 1 3 314.517 4.310 20 0 DIADHO CC(C)(C[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1)CN1CCCC1 ZINC001462195828 1061016954 /nfs/dbraw/zinc/01/69/54/1061016954.db2.gz GDIDQIQPURJTFZ-TZIWHRDSSA-N 1 3 314.517 4.208 20 0 DIADHO CCc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001473410297 1061146381 /nfs/dbraw/zinc/14/63/81/1061146381.db2.gz WTWNZYLGRWKQOA-AVRDEDQJSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001473410297 1061146387 /nfs/dbraw/zinc/14/63/87/1061146387.db2.gz WTWNZYLGRWKQOA-AVRDEDQJSA-N 1 3 322.496 4.249 20 0 DIADHO Fc1ccccc1C[C@H]1CCCC[N@@H+]1CCCN1CCCCC1 ZINC001473619779 1061293877 /nfs/dbraw/zinc/29/38/77/1061293877.db2.gz NFRGSPWNBZBUIK-LJQANCHMSA-N 1 3 318.480 4.099 20 0 DIADHO Fc1ccccc1C[C@H]1CCCC[N@H+]1CCCN1CCCCC1 ZINC001473619779 1061293896 /nfs/dbraw/zinc/29/38/96/1061293896.db2.gz NFRGSPWNBZBUIK-LJQANCHMSA-N 1 3 318.480 4.099 20 0 DIADHO Fc1ccccc1C[C@@H]1CCCC[N@@H+]1CCCN1CCCCC1 ZINC001473619778 1061295120 /nfs/dbraw/zinc/29/51/20/1061295120.db2.gz NFRGSPWNBZBUIK-IBGZPJMESA-N 1 3 318.480 4.099 20 0 DIADHO Fc1ccccc1C[C@@H]1CCCC[N@H+]1CCCN1CCCCC1 ZINC001473619778 1061295141 /nfs/dbraw/zinc/29/51/41/1061295141.db2.gz NFRGSPWNBZBUIK-IBGZPJMESA-N 1 3 318.480 4.099 20 0 DIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCSC(C)(C)C3)CC2)C1 ZINC001462618793 1061302196 /nfs/dbraw/zinc/30/21/96/1061302196.db2.gz LWRDPNZWTXRLOP-NJAFHUGGSA-N 1 3 324.578 4.293 20 0 DIADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)CCc1c[nH]c2ccccc12 ZINC001462673189 1061330012 /nfs/dbraw/zinc/33/00/12/1061330012.db2.gz KVFHQAIUUXRIJV-IAGOWNOFSA-N 1 3 315.505 4.199 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)C1 ZINC001473957220 1061499625 /nfs/dbraw/zinc/49/96/25/1061499625.db2.gz MZHMHMOZAJPPTJ-GIVPXCGWSA-N 1 3 314.517 4.424 20 0 DIADHO C[NH+](C)CCCCCCCNCc1nc(C(C)(C)C)cs1 ZINC001473964130 1061508507 /nfs/dbraw/zinc/50/85/07/1061508507.db2.gz JTVQXHCBSIGGHK-UHFFFAOYSA-N 1 3 311.539 4.042 20 0 DIADHO CC1(C)CCC[C@@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C1 ZINC001473980197 1061524224 /nfs/dbraw/zinc/52/42/24/1061524224.db2.gz RHPMBJQUQNFBLU-WOJBJXKFSA-N 1 3 314.517 4.109 20 0 DIADHO C[C@H](CCc1ccccc1)C[NH2+]CC[C@@H](C)N1CCCCC1 ZINC001474108747 1061658655 /nfs/dbraw/zinc/65/86/55/1061658655.db2.gz FQPBXCCECPJXEU-RTBURBONSA-N 1 3 302.506 4.109 20 0 DIADHO CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC001254488468 1062130689 /nfs/dbraw/zinc/13/06/89/1062130689.db2.gz WIQSXRYDJSTWIR-AABGKKOBSA-N 1 3 302.506 4.250 20 0 DIADHO CCC[C@H](CCc1ccccc1)N1CCC([NH3+])(CC2CC2)CC1 ZINC001254486919 1062132454 /nfs/dbraw/zinc/13/24/54/1062132454.db2.gz DRUZVXYKPJFBCI-HXUWFJFHSA-N 1 3 314.517 4.381 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[N@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001254497421 1062137482 /nfs/dbraw/zinc/13/74/82/1062137482.db2.gz CGOBCRBXSAZEAC-HBMCJLEFSA-N 1 3 314.517 4.062 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[N@@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001254497421 1062137493 /nfs/dbraw/zinc/13/74/93/1062137493.db2.gz CGOBCRBXSAZEAC-HBMCJLEFSA-N 1 3 314.517 4.062 20 0 DIADHO CN(C(c1ccccc1)c1ccccc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254515862 1062157471 /nfs/dbraw/zinc/15/74/71/1062157471.db2.gz FLTKPQJHVLDKMN-FQEVSTJZSA-N 1 3 308.469 4.192 20 0 DIADHO CN(C(c1ccccc1)c1ccccc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254515862 1062157477 /nfs/dbraw/zinc/15/74/77/1062157477.db2.gz FLTKPQJHVLDKMN-FQEVSTJZSA-N 1 3 308.469 4.192 20 0 DIADHO CCSc1cccc(C[N@@H+]2CCCC[C@H]2[C@H](C)CN(C)C)c1 ZINC001474646017 1062373153 /nfs/dbraw/zinc/37/31/53/1062373153.db2.gz APSIBTSXABVMCY-APWZRJJASA-N 1 3 320.546 4.351 20 0 DIADHO CCSc1cccc(C[N@H+]2CCCC[C@H]2[C@H](C)CN(C)C)c1 ZINC001474646017 1062373171 /nfs/dbraw/zinc/37/31/71/1062373171.db2.gz APSIBTSXABVMCY-APWZRJJASA-N 1 3 320.546 4.351 20 0 DIADHO C[C@H](CC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1Cl)N(C)C ZINC001474648683 1062374654 /nfs/dbraw/zinc/37/46/54/1062374654.db2.gz LAAFXXAALMVYFV-KYJSFNMBSA-N 1 3 308.897 4.296 20 0 DIADHO Cc1cc(C)cc(CN[C@H]2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC001255384003 1062422865 /nfs/dbraw/zinc/42/28/65/1062422865.db2.gz RFLANRPQDBTMKP-QFIPXVFZSA-N 1 3 322.496 4.448 20 0 DIADHO Cc1cc(C)cc(CN[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255384003 1062422877 /nfs/dbraw/zinc/42/28/77/1062422877.db2.gz RFLANRPQDBTMKP-QFIPXVFZSA-N 1 3 322.496 4.448 20 0 DIADHO C[C@@H](N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255384089 1062423504 /nfs/dbraw/zinc/42/35/04/1062423504.db2.gz SVRMWCHNXKXDEU-WIYYLYMNSA-N 1 3 308.469 4.392 20 0 DIADHO C[C@@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255384089 1062423510 /nfs/dbraw/zinc/42/35/10/1062423510.db2.gz SVRMWCHNXKXDEU-WIYYLYMNSA-N 1 3 308.469 4.392 20 0 DIADHO Cc1cc(C)cc(CN[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC001255384002 1062424048 /nfs/dbraw/zinc/42/40/48/1062424048.db2.gz RFLANRPQDBTMKP-JOCHJYFZSA-N 1 3 322.496 4.448 20 0 DIADHO Cc1cc(C)cc(CN[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255384002 1062424056 /nfs/dbraw/zinc/42/40/56/1062424056.db2.gz RFLANRPQDBTMKP-JOCHJYFZSA-N 1 3 322.496 4.448 20 0 DIADHO C(=C/c1ccccc1)\CN[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255384036 1062424444 /nfs/dbraw/zinc/42/44/44/1062424444.db2.gz RROGRJOILPWQBW-PTHHNIJRSA-N 1 3 320.480 4.344 20 0 DIADHO C(=C/c1ccccc1)\CN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255384036 1062424457 /nfs/dbraw/zinc/42/44/57/1062424457.db2.gz RROGRJOILPWQBW-PTHHNIJRSA-N 1 3 320.480 4.344 20 0 DIADHO C[C@@H](N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cccs1 ZINC001255376936 1062424513 /nfs/dbraw/zinc/42/45/13/1062424513.db2.gz CZHZXSHNAVKSOX-SJLPKXTDSA-N 1 3 314.498 4.453 20 0 DIADHO C[C@@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cccs1 ZINC001255376936 1062424530 /nfs/dbraw/zinc/42/45/30/1062424530.db2.gz CZHZXSHNAVKSOX-SJLPKXTDSA-N 1 3 314.498 4.453 20 0 DIADHO C[C@H](N[C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cccs1 ZINC001255376939 1062424580 /nfs/dbraw/zinc/42/45/80/1062424580.db2.gz CZHZXSHNAVKSOX-WMZOPIPTSA-N 1 3 314.498 4.453 20 0 DIADHO C[C@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cccs1 ZINC001255376939 1062424586 /nfs/dbraw/zinc/42/45/86/1062424586.db2.gz CZHZXSHNAVKSOX-WMZOPIPTSA-N 1 3 314.498 4.453 20 0 DIADHO C[C@H](N[C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccc(O)cc1 ZINC001255384990 1062424995 /nfs/dbraw/zinc/42/49/95/1062424995.db2.gz DEUMUKGJLXHRTL-PXNSSMCTSA-N 1 3 324.468 4.098 20 0 DIADHO C[C@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccc(O)cc1 ZINC001255384990 1062425014 /nfs/dbraw/zinc/42/50/14/1062425014.db2.gz DEUMUKGJLXHRTL-PXNSSMCTSA-N 1 3 324.468 4.098 20 0 DIADHO CC[C@@H](N[C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC001255392491 1062429980 /nfs/dbraw/zinc/42/99/80/1062429980.db2.gz FMRABEGNBSRIAD-LEWJYISDSA-N 1 3 323.484 4.177 20 0 DIADHO CC[C@@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC001255392491 1062429990 /nfs/dbraw/zinc/42/99/90/1062429990.db2.gz FMRABEGNBSRIAD-LEWJYISDSA-N 1 3 323.484 4.177 20 0 DIADHO c1ccc(CN2CCC[C@@H]([NH+]3CCC4(CCC4)CC3)CC2)cc1 ZINC001255396961 1062434055 /nfs/dbraw/zinc/43/40/55/1062434055.db2.gz CGZADQLAZSUHNN-HXUWFJFHSA-N 1 3 312.501 4.307 20 0 DIADHO c1ccc(CN2CCC[C@H]([N@@H+]3CCC[C@H]4CCC[C@@H]43)CC2)cc1 ZINC001255406427 1062438996 /nfs/dbraw/zinc/43/89/96/1062438996.db2.gz SECADTOPSXUCLP-HKBOAZHASA-N 1 3 312.501 4.306 20 0 DIADHO c1ccc(CN2CCC[C@H]([N@H+]3CCC[C@H]4CCC[C@@H]43)CC2)cc1 ZINC001255406427 1062439013 /nfs/dbraw/zinc/43/90/13/1062439013.db2.gz SECADTOPSXUCLP-HKBOAZHASA-N 1 3 312.501 4.306 20 0 DIADHO CC(C)(C)C1CCC(N2CCC([NH+]3CCC(F)CC3)CC2)CC1 ZINC001255502175 1062464156 /nfs/dbraw/zinc/46/41/56/1062464156.db2.gz VQKMJTCJDHHTMH-UHFFFAOYSA-N 1 3 324.528 4.490 20 0 DIADHO C[C@H]1C[C@H](C)CN(CCC[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC001255507373 1062466943 /nfs/dbraw/zinc/46/69/43/1062466943.db2.gz XGKCTNWAGAKZGU-FXQLRMTLSA-N 1 3 320.443 4.065 20 0 DIADHO CCC[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC001255668009 1062505853 /nfs/dbraw/zinc/50/58/53/1062505853.db2.gz CRCPVDJAYMXLFZ-IPQPSQTFSA-N 1 3 304.453 4.272 20 0 DIADHO CCC[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001255668009 1062505869 /nfs/dbraw/zinc/50/58/69/1062505869.db2.gz CRCPVDJAYMXLFZ-IPQPSQTFSA-N 1 3 304.453 4.272 20 0 DIADHO CC[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)c(C)c1 ZINC001255675025 1062512506 /nfs/dbraw/zinc/51/25/06/1062512506.db2.gz BGLMSPHUFMLNIQ-PHSGOXPASA-N 1 3 304.453 4.190 20 0 DIADHO CC[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(C)c1 ZINC001255675025 1062512525 /nfs/dbraw/zinc/51/25/25/1062512525.db2.gz BGLMSPHUFMLNIQ-PHSGOXPASA-N 1 3 304.453 4.190 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC001255694397 1062520804 /nfs/dbraw/zinc/52/08/04/1062520804.db2.gz OHNXJUYCOYYXSL-CHWSQXEVSA-N 1 3 320.443 4.349 20 0 DIADHO Cc1ccc2c(ccc(C)c2C[N@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC001459954088 1062521570 /nfs/dbraw/zinc/52/15/70/1062521570.db2.gz UZYJUIRMYAOJEI-IBGZPJMESA-N 1 3 310.485 4.373 20 0 DIADHO Cc1ccc2c(ccc(C)c2C[N@@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC001459954088 1062521587 /nfs/dbraw/zinc/52/15/87/1062521587.db2.gz UZYJUIRMYAOJEI-IBGZPJMESA-N 1 3 310.485 4.373 20 0 DIADHO Cc1ccc2c(ccc(C)c2C[N@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC001459954090 1062523899 /nfs/dbraw/zinc/52/38/99/1062523899.db2.gz UZYJUIRMYAOJEI-LJQANCHMSA-N 1 3 310.485 4.373 20 0 DIADHO Cc1ccc2c(ccc(C)c2C[N@@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC001459954090 1062523918 /nfs/dbraw/zinc/52/39/18/1062523918.db2.gz UZYJUIRMYAOJEI-LJQANCHMSA-N 1 3 310.485 4.373 20 0 DIADHO C[C@H](CSc1ccc(F)cc1)NCCC[NH+]1CCC(C)CC1 ZINC001255734627 1062557449 /nfs/dbraw/zinc/55/74/49/1062557449.db2.gz YUASCJYFXVABLD-MRXNPFEDSA-N 1 3 324.509 4.018 20 0 DIADHO C[C@H](CSc1ccc(F)cc1)[NH2+]CCCN1CCC(C)CC1 ZINC001255734627 1062557469 /nfs/dbraw/zinc/55/74/69/1062557469.db2.gz YUASCJYFXVABLD-MRXNPFEDSA-N 1 3 324.509 4.018 20 0 DIADHO Cc1ccc(C[C@@H](C)N[C@H](CC[NH+](C)C)c2ccccc2)cc1 ZINC001255772159 1062595055 /nfs/dbraw/zinc/59/50/55/1062595055.db2.gz GALVXBDPMBRAGH-WIYYLYMNSA-N 1 3 310.485 4.209 20 0 DIADHO Cc1ccc(C[C@H](C)[NH2+]C2CCN(CC3CCCC3)CC2)cc1 ZINC001255780280 1062602894 /nfs/dbraw/zinc/60/28/94/1062602894.db2.gz JXNUHXJJAVJXKK-SFHVURJKSA-N 1 3 314.517 4.170 20 0 DIADHO C[C@@H](Cc1ccccc1F)[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001255855347 1062630822 /nfs/dbraw/zinc/63/08/22/1062630822.db2.gz WOHBLGUZWDRVAI-WDSOQIARSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@@H](Cc1ccccc1F)[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001255855347 1062630829 /nfs/dbraw/zinc/63/08/29/1062630829.db2.gz WOHBLGUZWDRVAI-WDSOQIARSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@@H](Cc1ccccc1F)N1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001255855347 1062630843 /nfs/dbraw/zinc/63/08/43/1062630843.db2.gz WOHBLGUZWDRVAI-WDSOQIARSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@@H](Cc1ccccc1F)N1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001255855347 1062630855 /nfs/dbraw/zinc/63/08/55/1062630855.db2.gz WOHBLGUZWDRVAI-WDSOQIARSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@H](Cc1ccc(F)cc1)[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001255872370 1062647308 /nfs/dbraw/zinc/64/73/08/1062647308.db2.gz IIQJPGWVBFTBGY-YLJYHZDGSA-N 1 3 318.480 4.097 20 0 DIADHO C[C@H](Cc1ccc(F)cc1)[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001255872370 1062647319 /nfs/dbraw/zinc/64/73/19/1062647319.db2.gz IIQJPGWVBFTBGY-YLJYHZDGSA-N 1 3 318.480 4.097 20 0 DIADHO C[C@H](Cc1ccc(F)cc1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001255872370 1062647328 /nfs/dbraw/zinc/64/73/28/1062647328.db2.gz IIQJPGWVBFTBGY-YLJYHZDGSA-N 1 3 318.480 4.097 20 0 DIADHO C[C@H](Cc1ccc(F)cc1)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001255878197 1062652800 /nfs/dbraw/zinc/65/28/00/1062652800.db2.gz MTAKZYMMEIQGEI-LSTHTHJFSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@H](Cc1ccc(F)cc1)[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001255878197 1062652807 /nfs/dbraw/zinc/65/28/07/1062652807.db2.gz MTAKZYMMEIQGEI-LSTHTHJFSA-N 1 3 318.480 4.096 20 0 DIADHO CCN(CC)CC[C@@H](C)[NH2+]C1(Cc2ccc(F)cc2)CCC1 ZINC001255953095 1062668803 /nfs/dbraw/zinc/66/88/03/1062668803.db2.gz IOVMIZUOFZVZRJ-MRXNPFEDSA-N 1 3 306.469 4.001 20 0 DIADHO c1ccc([C@H]2CCC[C@@H]([NH+]3CC4(C3)CCN(CC3CC3)C4)C2)cc1 ZINC001256114500 1062718277 /nfs/dbraw/zinc/71/82/77/1062718277.db2.gz DYFJSDUGGDXDRO-LEWJYISDSA-N 1 3 324.512 4.131 20 0 DIADHO C=Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256527185 1062848721 /nfs/dbraw/zinc/84/87/21/1062848721.db2.gz QQOREEMCGAWGGK-XMSQKQJNSA-N 1 3 320.480 4.472 20 0 DIADHO C=Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256527185 1062848743 /nfs/dbraw/zinc/84/87/43/1062848743.db2.gz QQOREEMCGAWGGK-XMSQKQJNSA-N 1 3 320.480 4.472 20 0 DIADHO CC(C)(C)N1CCC([NH2+]CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC001256561608 1062880926 /nfs/dbraw/zinc/88/09/26/1062880926.db2.gz BAUBZGDKCABUNK-UHFFFAOYSA-N 1 3 320.908 4.224 20 0 DIADHO CC(C)(C)[NH+]1CCC(N[C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC001256561860 1062883337 /nfs/dbraw/zinc/88/33/37/1062883337.db2.gz IDBJUCDKPFQTAV-SJORKVTESA-N 1 3 306.881 4.048 20 0 DIADHO CC(C)(C)N1CCC([N@@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001256569941 1062893320 /nfs/dbraw/zinc/89/33/20/1062893320.db2.gz TXRZGZLDWQXRMH-GOSISDBHSA-N 1 3 304.453 4.226 20 0 DIADHO CC(C)(C)N1CCC([N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001256569941 1062893342 /nfs/dbraw/zinc/89/33/42/1062893342.db2.gz TXRZGZLDWQXRMH-GOSISDBHSA-N 1 3 304.453 4.226 20 0 DIADHO CC(C)(C)N1CCC([N@@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001256569942 1062896555 /nfs/dbraw/zinc/89/65/55/1062896555.db2.gz TXRZGZLDWQXRMH-SFHVURJKSA-N 1 3 304.453 4.226 20 0 DIADHO CC(C)(C)N1CCC([N@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001256569942 1062896578 /nfs/dbraw/zinc/89/65/78/1062896578.db2.gz TXRZGZLDWQXRMH-SFHVURJKSA-N 1 3 304.453 4.226 20 0 DIADHO Cc1cc(C)cc(CN2CCC[C@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001460624264 1062943220 /nfs/dbraw/zinc/94/32/20/1062943220.db2.gz AGLFHZWIPXHFSD-NRFANRHFSA-N 1 3 314.517 4.390 20 0 DIADHO Cc1nc(C2CC[NH+](Cc3cccc(F)c3Cl)CC2)[nH]c1C ZINC001460794021 1063062017 /nfs/dbraw/zinc/06/20/17/1063062017.db2.gz XMGUMUDFVNEVOU-UHFFFAOYSA-N 1 3 321.827 4.199 20 0 DIADHO CC(C)[NH+]1CCC(NC2(c3cccc(F)c3)CCCCC2)CC1 ZINC001257210142 1063140625 /nfs/dbraw/zinc/14/06/25/1063140625.db2.gz HDKKYPVWFPOKPL-UHFFFAOYSA-N 1 3 318.480 4.448 20 0 DIADHO CC(C)[NH+]1CCC(NC2(c3cccc4ccccc43)CC2)CC1 ZINC001257211402 1063142629 /nfs/dbraw/zinc/14/26/29/1063142629.db2.gz JKGWZKFVZIZOML-UHFFFAOYSA-N 1 3 308.469 4.291 20 0 DIADHO CC(C)[NH+]1CCC(N2CCC(Sc3ccccc3)CC2)CC1 ZINC001257222128 1063146339 /nfs/dbraw/zinc/14/63/39/1063146339.db2.gz SRWACXCIJMMHIX-UHFFFAOYSA-N 1 3 318.530 4.116 20 0 DIADHO Cc1cccc(CN(C2CC2)C2CC[NH+](C(C)C)CC2)c1C ZINC001257223458 1063148790 /nfs/dbraw/zinc/14/87/90/1063148790.db2.gz QEXFJJPYGOFKSV-UHFFFAOYSA-N 1 3 300.490 4.141 20 0 DIADHO C[N@H+](CCCNCc1cccc2ccoc21)Cc1ccccc1 ZINC001461006714 1063182987 /nfs/dbraw/zinc/18/29/87/1063182987.db2.gz RGAJJIYOLKNOOB-UHFFFAOYSA-N 1 3 308.425 4.045 20 0 DIADHO C[N@@H+](CCCNCc1cccc2ccoc21)Cc1ccccc1 ZINC001461006714 1063183002 /nfs/dbraw/zinc/18/30/02/1063183002.db2.gz RGAJJIYOLKNOOB-UHFFFAOYSA-N 1 3 308.425 4.045 20 0 DIADHO C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001461126482 1063276203 /nfs/dbraw/zinc/27/62/03/1063276203.db2.gz ARCWCMSZVQRKRT-QFBILLFUSA-N 1 3 306.538 4.445 20 0 DIADHO C(C1CCCCC1)N1CCC([NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC001461131324 1063281183 /nfs/dbraw/zinc/28/11/83/1063281183.db2.gz OKICVEBUGDWINE-RUYXUALKSA-N 1 3 304.522 4.199 20 0 DIADHO CS[C@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC001461132661 1063283029 /nfs/dbraw/zinc/28/30/29/1063283029.db2.gz RORSZHDXODCNJJ-OALUTQOASA-N 1 3 324.578 4.295 20 0 DIADHO CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001461234708 1063355458 /nfs/dbraw/zinc/35/54/58/1063355458.db2.gz UFBAQFZIXJFKGK-ZGXWSNOMSA-N 1 3 324.553 4.070 20 0 DIADHO C/C(=C\c1ccc(Cl)cc1)CN[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001461257811 1063368826 /nfs/dbraw/zinc/36/88/26/1063368826.db2.gz RKCJBFRJWFLSCJ-ZBEVKASSSA-N 1 3 306.881 4.206 20 0 DIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC001257993974 1063452565 /nfs/dbraw/zinc/45/25/65/1063452565.db2.gz DTWMMBKZENUVKT-NTFDOXNWSA-N 1 3 300.490 4.175 20 0 DIADHO c1ccc(C2CCC([NH+]3CC4(C3)CCN(CC3CC3)C4)CC2)cc1 ZINC001257998568 1063455301 /nfs/dbraw/zinc/45/53/01/1063455301.db2.gz ZZYULOADIFENBC-UHFFFAOYSA-N 1 3 324.512 4.131 20 0 DIADHO CC1CC[NH+](C2CCC(NCc3cc(F)ccc3F)CC2)CC1 ZINC001461373332 1063455816 /nfs/dbraw/zinc/45/58/16/1063455816.db2.gz KRTHBQXJEXCTOJ-UHFFFAOYSA-N 1 3 322.443 4.098 20 0 DIADHO CCC[C@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccc(F)cc1 ZINC001258004151 1063457694 /nfs/dbraw/zinc/45/76/94/1063457694.db2.gz DABXAQRXFOHSBR-IBGZPJMESA-N 1 3 306.469 4.377 20 0 DIADHO CC(C)CN1CCC([NH2+]Cc2cc3ccccc3s2)CC1 ZINC001258002257 1063458234 /nfs/dbraw/zinc/45/82/34/1063458234.db2.gz FYLPOXZSWYJSPW-UHFFFAOYSA-N 1 3 302.487 4.111 20 0 DIADHO CC(C)C[NH+]1CCC(NC2(c3ccccc3)CCCC2)CC1 ZINC001258002614 1063459591 /nfs/dbraw/zinc/45/95/91/1063459591.db2.gz TVDUQKZJDXTGEJ-UHFFFAOYSA-N 1 3 300.490 4.166 20 0 DIADHO CC(C)C[NH+]1CCC(N2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001258017226 1063465654 /nfs/dbraw/zinc/46/56/54/1063465654.db2.gz XFIDAYJWXGESKR-QGZVFWFLSA-N 1 3 320.908 4.250 20 0 DIADHO CC(C)C[C@@H](C)C[C@H](C)N1CCC([NH3+])(c2ccccc2)CC1 ZINC001258062474 1063490205 /nfs/dbraw/zinc/49/02/05/1063490205.db2.gz QARAUKZBWXUAJW-MSOLQXFVSA-N 1 3 302.506 4.397 20 0 DIADHO CCC[C@H](C[NH2+]CC(C)(C)CN1CCCC1)c1ccccc1 ZINC001461468677 1063526938 /nfs/dbraw/zinc/52/69/38/1063526938.db2.gz CKYGMPSWPULKSD-LJQANCHMSA-N 1 3 302.506 4.282 20 0 DIADHO C[C@H]1CC([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)C[C@H](C)C1 ZINC001258162684 1063539258 /nfs/dbraw/zinc/53/92/58/1063539258.db2.gz KLGGPXFRELXCEX-KZNAEPCWSA-N 1 3 304.522 4.221 20 0 DIADHO CSC(C)(C)C[C@H](C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001258326724 1063613300 /nfs/dbraw/zinc/61/33/00/1063613300.db2.gz KRLCERJUJORGBM-ZDUSSCGKSA-N 1 3 300.556 4.148 20 0 DIADHO CCCCC(CCCC)[NH+]1CCC(N)(Cc2cccnc2)CC1 ZINC001258383709 1063628754 /nfs/dbraw/zinc/62/87/54/1063628754.db2.gz VBGOLQHYESGHGB-UHFFFAOYSA-N 1 3 317.521 4.166 20 0 DIADHO CCCCC[C@H](CC)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001258434161 1063652209 /nfs/dbraw/zinc/65/22/09/1063652209.db2.gz KKKIMNGQHLXPOQ-FQEVSTJZSA-N 1 3 317.521 4.242 20 0 DIADHO CC[N@H+](Cc1ccccc1)C1CCN([C@H](C)CC2CC2)CC1 ZINC001258461712 1063664326 /nfs/dbraw/zinc/66/43/26/1063664326.db2.gz DYYDCWKPJJFDHS-QGZVFWFLSA-N 1 3 300.490 4.162 20 0 DIADHO CC[N@@H+](Cc1ccccc1)C1CCN([C@H](C)CC2CC2)CC1 ZINC001258461712 1063664340 /nfs/dbraw/zinc/66/43/40/1063664340.db2.gz DYYDCWKPJJFDHS-QGZVFWFLSA-N 1 3 300.490 4.162 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[NH+]1CCC(N2CCCCC2)CC1 ZINC001258654348 1063727766 /nfs/dbraw/zinc/72/77/66/1063727766.db2.gz NWPYIMGCVCYMHW-NRFANRHFSA-N 1 3 314.517 4.348 20 0 DIADHO CCC[C@@H](Cc1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC001258654348 1063727775 /nfs/dbraw/zinc/72/77/75/1063727775.db2.gz NWPYIMGCVCYMHW-NRFANRHFSA-N 1 3 314.517 4.348 20 0 DIADHO CCN(CC)CC[C@H]([NH2+][C@H]1CCC[C@@H](OC)C1)c1ccccc1 ZINC001461823790 1063736650 /nfs/dbraw/zinc/73/66/50/1063736650.db2.gz FYQNXWDTYFVOOE-ZCNNSNEGSA-N 1 3 318.505 4.007 20 0 DIADHO C[C@H](Cc1cccc(Cl)c1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001258741053 1063791626 /nfs/dbraw/zinc/79/16/26/1063791626.db2.gz FWXOTCDSWLSNIB-OAHLLOKOSA-N 1 3 320.908 4.268 20 0 DIADHO CCCC[C@@H](CCC)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001258756740 1063802180 /nfs/dbraw/zinc/80/21/80/1063802180.db2.gz UFCRCRRHAJFYMQ-LJQANCHMSA-N 1 3 317.521 4.242 20 0 DIADHO CCC[NH+]1CCC(N2CCC[C@@H]2c2ccc(OCC)cc2)CC1 ZINC001258775443 1063814787 /nfs/dbraw/zinc/81/47/87/1063814787.db2.gz PFJVPVNAEASHQZ-HXUWFJFHSA-N 1 3 316.489 4.097 20 0 DIADHO CCC[NH+]1CCC(N2CCC(c3cccc(Cl)c3)CC2)CC1 ZINC001258772046 1063817414 /nfs/dbraw/zinc/81/74/14/1063817414.db2.gz HRQZVZQZTSPNDI-UHFFFAOYSA-N 1 3 320.908 4.394 20 0 DIADHO CCC[NH+]1CCC(N(Cc2cccc(C)c2C)C2CC2)CC1 ZINC001258777532 1063819643 /nfs/dbraw/zinc/81/96/43/1063819643.db2.gz XBPUNRALXIQJJE-UHFFFAOYSA-N 1 3 300.490 4.142 20 0 DIADHO CC[C@@H](C)C[C@@H](CC)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001258784162 1063821728 /nfs/dbraw/zinc/82/17/28/1063821728.db2.gz NOGULIOHPYKNPS-YLJYHZDGSA-N 1 3 317.521 4.098 20 0 DIADHO CC[C@H](C)C[C@H](CC)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001258784681 1063822118 /nfs/dbraw/zinc/82/21/18/1063822118.db2.gz SESADLUXPHUZHQ-HKUYNNGSSA-N 1 3 317.521 4.098 20 0 DIADHO CC[C@H](C[C@@H](C)CC)[NH+]1CCC(N)(Cc2cccc(F)c2)CC1 ZINC001258785631 1063823637 /nfs/dbraw/zinc/82/36/37/1063823637.db2.gz IBTBCJMIGQVFER-QFBILLFUSA-N 1 3 320.496 4.376 20 0 DIADHO CC(C)C1CCC(N2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001258801994 1063836477 /nfs/dbraw/zinc/83/64/77/1063836477.db2.gz GCFRJLAOLBBVBR-UHFFFAOYSA-N 1 3 318.480 4.290 20 0 DIADHO C[C@@H]1CCC[C@@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001258828064 1063853511 /nfs/dbraw/zinc/85/35/11/1063853511.db2.gz YIYCEUSNAIHZPY-UYAOXDASSA-N 1 3 312.501 4.163 20 0 DIADHO CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001258842801 1063862604 /nfs/dbraw/zinc/86/26/04/1063862604.db2.gz SIUREDAVPPCKAR-FQEVSTJZSA-N 1 3 314.517 4.252 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)NCc1c(F)cc(Cl)cc1F ZINC001258901385 1063877144 /nfs/dbraw/zinc/87/71/44/1063877144.db2.gz ZGKOTIYVOIBVOO-LBPRGKRZSA-N 1 3 318.839 4.218 20 0 DIADHO CC[NH+](CC)CCC[C@@H](C)N(C)Cc1nc2ccccc2s1 ZINC001258907137 1063878395 /nfs/dbraw/zinc/87/83/95/1063878395.db2.gz GJQVNEFLCDIGLA-OAHLLOKOSA-N 1 3 319.518 4.239 20 0 DIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(O)cc1 ZINC000379632712 1063984272 /nfs/dbraw/zinc/98/42/72/1063984272.db2.gz NXWSTYVOOKDHRQ-FUHIMQAGSA-N 1 3 324.468 4.096 20 0 DIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(O)cc1 ZINC000379632712 1063984276 /nfs/dbraw/zinc/98/42/76/1063984276.db2.gz NXWSTYVOOKDHRQ-FUHIMQAGSA-N 1 3 324.468 4.096 20 0 DIADHO C[C@H](CC[NH2+]Cc1ccc(Cl)s1)N(C)Cc1ccccc1 ZINC000379618947 1063985702 /nfs/dbraw/zinc/98/57/02/1063985702.db2.gz AYBPSMXWLSKAJM-CQSZACIVSA-N 1 3 322.905 4.402 20 0 DIADHO Cc1cc(F)ccc1C[NH2+]CC[C@H](C)N(C)Cc1ccccc1 ZINC000379615848 1063986175 /nfs/dbraw/zinc/98/61/75/1063986175.db2.gz BHPXZESBPZEOIJ-KRWDZBQOSA-N 1 3 314.448 4.134 20 0 DIADHO CC1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000381776104 1063992316 /nfs/dbraw/zinc/99/23/16/1063992316.db2.gz CYABKXIPQZSVFI-VOUWZBHPSA-N 1 3 312.501 4.065 20 0 DIADHO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000390811818 1064170541 /nfs/dbraw/zinc/17/05/41/1064170541.db2.gz WHNMPOJXTWOHBH-SDZDHKAXSA-N 1 3 312.501 4.065 20 0 DIADHO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000393946112 1064312489 /nfs/dbraw/zinc/31/24/89/1064312489.db2.gz FYLLLRXBIDTOMQ-BJLQDIEVSA-N 1 3 302.506 4.313 20 0 DIADHO CC(C)Cc1ccccc1C[N@H+](C)CC[C@@H]1CCCCN1C ZINC001307498766 1065441247 /nfs/dbraw/zinc/44/12/47/1065441247.db2.gz IPBWGDZFPIUABV-FQEVSTJZSA-N 1 3 302.506 4.191 20 0 DIADHO CC(C)Cc1ccccc1C[N@@H+](C)CC[C@@H]1CCCCN1C ZINC001307498766 1065441253 /nfs/dbraw/zinc/44/12/53/1065441253.db2.gz IPBWGDZFPIUABV-FQEVSTJZSA-N 1 3 302.506 4.191 20 0 DIADHO CCN(CC)CCC[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC001307581459 1065495988 /nfs/dbraw/zinc/49/59/88/1065495988.db2.gz UDZCVDFUNXOYFI-HXUWFJFHSA-N 1 3 302.506 4.206 20 0 DIADHO CCN(CC)CCC[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC001307581459 1065495996 /nfs/dbraw/zinc/49/59/96/1065495996.db2.gz UDZCVDFUNXOYFI-HXUWFJFHSA-N 1 3 302.506 4.206 20 0 DIADHO CC(C)(C)C1CCC(C[NH+]2CCN(c3ccncc3)CC2)CC1 ZINC001307583480 1065496024 /nfs/dbraw/zinc/49/60/24/1065496024.db2.gz OLRIVPLHXUTMBI-UHFFFAOYSA-N 1 3 315.505 4.056 20 0 DIADHO Cc1ccccc1CN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308183395 1065795719 /nfs/dbraw/zinc/79/57/19/1065795719.db2.gz CGOSQBIYHXMMHK-HXUWFJFHSA-N 1 3 308.469 4.138 20 0 DIADHO Cc1ccccc1CN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308183395 1065795730 /nfs/dbraw/zinc/79/57/30/1065795730.db2.gz CGOSQBIYHXMMHK-HXUWFJFHSA-N 1 3 308.469 4.138 20 0 DIADHO CCc1cccc(CNCc2ccc(C[NH+](CC)CC)cc2)c1 ZINC001308186241 1065797052 /nfs/dbraw/zinc/79/70/52/1065797052.db2.gz USKIKQJYHUCBEP-UHFFFAOYSA-N 1 3 310.485 4.381 20 0 DIADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]C4CCCCC4)[C@H]3C2)cc1 ZINC001308636364 1066131829 /nfs/dbraw/zinc/13/18/29/1066131829.db2.gz ZRLGMWZMVCKNMO-SESVDKBCSA-N 1 3 312.501 4.209 20 0 DIADHO C[C@H](CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)N1CCCCC1 ZINC001308682822 1066153956 /nfs/dbraw/zinc/15/39/56/1066153956.db2.gz FMZVWDOHYCGAJH-MISYRCLQSA-N 1 3 300.490 4.177 20 0 DIADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC001308863903 1066344514 /nfs/dbraw/zinc/34/45/14/1066344514.db2.gz ODCOYFDWBVPELX-RLLQIKCJSA-N 1 3 300.490 4.034 20 0 DIADHO CC[C@H](CC1CCCCC1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC001308882898 1066364133 /nfs/dbraw/zinc/36/41/33/1066364133.db2.gz BYPGSOJFPFLPPS-VQTJNVASSA-N 1 3 306.538 4.447 20 0 DIADHO CC(C)CN(Cc1ncc(C(C)C)s1)CC1CC[NH+](C)CC1 ZINC001308910085 1066387678 /nfs/dbraw/zinc/38/76/78/1066387678.db2.gz MYGQDIYQOUXYMD-UHFFFAOYSA-N 1 3 323.550 4.066 20 0 DIADHO C[NH+](C)CC[C@H](N[C@@H]1CCCC12CCCCC2)c1cccnc1 ZINC001308947527 1066413321 /nfs/dbraw/zinc/41/33/21/1066413321.db2.gz GBGFVPQXYWKRFI-RBUKOAKNSA-N 1 3 315.505 4.167 20 0 DIADHO CC(C)[NH+]1CCC(N[C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000288889139 131343777 /nfs/dbraw/zinc/34/37/77/131343777.db2.gz AUAJCMMFIHUEDN-LJQANCHMSA-N 1 3 311.473 4.008 20 0 DIADHO c1ccc2c(c1)[nH]c1c2CCC[C@H]1NC1CC[NH+](C2CCC2)CC1 ZINC000289145108 131361417 /nfs/dbraw/zinc/36/14/17/131361417.db2.gz FXYJEEDGHGHVNX-HXUWFJFHSA-N 1 3 323.484 4.152 20 0 DIADHO FC(F)(F)C1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000262066730 331958787 /nfs/dbraw/zinc/95/87/87/331958787.db2.gz FPDRGYASNISXDN-UIEKQHFFSA-N 1 3 318.427 4.008 20 0 DIADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccccc2Cl)C1 ZINC000518266214 332003034 /nfs/dbraw/zinc/00/30/34/332003034.db2.gz QLAMPTIRKGSEMG-IYBDPMFKSA-N 1 3 308.897 4.188 20 0 DIADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccccc2Cl)C1 ZINC000518266214 332003035 /nfs/dbraw/zinc/00/30/35/332003035.db2.gz QLAMPTIRKGSEMG-IYBDPMFKSA-N 1 3 308.897 4.188 20 0 DIADHO C1CCC2(C1)CCC[C@@H]2[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000559774578 332280746 /nfs/dbraw/zinc/28/07/46/332280746.db2.gz SFNPLOPYIRXNOD-IBGZPJMESA-N 1 3 304.522 4.486 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC(C)C)c(Cl)c2)C1 ZINC000560247871 332323464 /nfs/dbraw/zinc/32/34/64/332323464.db2.gz GIOANAMGFGYWLA-GJZGRUSLSA-N 1 3 324.896 4.120 20 0 DIADHO CC[NH+]1CCC(CN[C@H](C)c2cc3cc(Cl)ccc3o2)CC1 ZINC000562526969 332602169 /nfs/dbraw/zinc/60/21/69/332602169.db2.gz JLMNMMIAPAGLDN-CYBMUJFWSA-N 1 3 320.864 4.469 20 0 DIADHO C[C@H](NC1CCC([NH3+])CC1)c1cc(F)c(Cl)cc1Cl ZINC000051694274 332657720 /nfs/dbraw/zinc/65/77/20/332657720.db2.gz DHXAVQNKTFWAQZ-IDKOKCKLSA-N 1 3 305.224 4.053 20 0 DIADHO C[C@@H](NCCCCC[NH+]1CCCC1)c1cc(F)c(F)c(F)c1 ZINC000570070216 332708332 /nfs/dbraw/zinc/70/83/32/332708332.db2.gz CYEPCDFZIGUWCU-CYBMUJFWSA-N 1 3 314.395 4.021 20 0 DIADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1cc(Cl)cc(Cl)c1 ZINC000570332998 332740210 /nfs/dbraw/zinc/74/02/10/332740210.db2.gz GUWRXVHGNLXJFU-LLVKDONJSA-N 1 3 309.240 4.303 20 0 DIADHO CCC(CC)[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000378902531 333061949 /nfs/dbraw/zinc/06/19/49/333061949.db2.gz XPWMONWWBJSRPU-UFYCRDLUSA-N 1 3 300.490 4.380 20 0 DIADHO CCC(CC)[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000378902531 333061950 /nfs/dbraw/zinc/06/19/50/333061950.db2.gz XPWMONWWBJSRPU-UFYCRDLUSA-N 1 3 300.490 4.380 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CNC/C=C/c1ccccc1 ZINC000518770446 333071465 /nfs/dbraw/zinc/07/14/65/333071465.db2.gz LKITZQFNAPOEAQ-JLHYYAGUSA-N 1 3 308.469 4.331 20 0 DIADHO [NH3+]Cc1ccc(CN[C@H]2CCCCc3ccc(Cl)cc32)cc1 ZINC000518770812 333075673 /nfs/dbraw/zinc/07/56/73/333075673.db2.gz ACGLWBAJYRFSFJ-IBGZPJMESA-N 1 3 314.860 4.356 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(-c3ccccc3)cc2)C1 ZINC000320684165 335123721 /nfs/dbraw/zinc/12/37/21/335123721.db2.gz PHGUAZHIAKMYSN-ZWKOTPCHSA-N 1 3 308.469 4.346 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCCc2occc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000310166070 333221448 /nfs/dbraw/zinc/22/14/48/333221448.db2.gz SFHCPDBUJUPSHQ-XKGZKEIXSA-N 1 3 324.468 4.157 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@H](c2cc3ccccc3o2)C(C)(C)C)C1 ZINC000497829236 333297291 /nfs/dbraw/zinc/29/72/91/333297291.db2.gz RBONCHHGSWMTFL-DNVCBOLYSA-N 1 3 314.473 4.451 20 0 DIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2cccs2)cc1 ZINC000020016335 333305391 /nfs/dbraw/zinc/30/53/91/333305391.db2.gz KNKANJAHYJTPOB-HNNXBMFYSA-N 1 3 302.487 4.441 20 0 DIADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccs1 ZINC000390644871 333310344 /nfs/dbraw/zinc/31/03/44/333310344.db2.gz IDHKWHFBSBCHBW-SFHVURJKSA-N 1 3 314.498 4.138 20 0 DIADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccs1 ZINC000390644871 333310345 /nfs/dbraw/zinc/31/03/45/333310345.db2.gz IDHKWHFBSBCHBW-SFHVURJKSA-N 1 3 314.498 4.138 20 0 DIADHO Cc1ccccc1[C@H](C)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390744236 333322832 /nfs/dbraw/zinc/32/28/32/333322832.db2.gz OPZOMDAFODOUSB-AZUAARDMSA-N 1 3 308.469 4.168 20 0 DIADHO Cc1ccccc1[C@H](C)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390744236 333322833 /nfs/dbraw/zinc/32/28/33/333322833.db2.gz OPZOMDAFODOUSB-AZUAARDMSA-N 1 3 308.469 4.168 20 0 DIADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(-c2ccccc2)cc1 ZINC000391944663 335136572 /nfs/dbraw/zinc/13/65/72/335136572.db2.gz QPUPUXJVBMTYCO-QZTJIDSGSA-N 1 3 320.480 4.489 20 0 DIADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(-c2ccccc2)cc1 ZINC000391944663 335136573 /nfs/dbraw/zinc/13/65/73/335136573.db2.gz QPUPUXJVBMTYCO-QZTJIDSGSA-N 1 3 320.480 4.489 20 0 DIADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C[C@@H](c2ccccc2)C1 ZINC000392003953 335149932 /nfs/dbraw/zinc/14/99/32/335149932.db2.gz RGMMSTLUDPSMOY-JBINPLMMSA-N 1 3 312.501 4.175 20 0 DIADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H](c2ccccc2)C1 ZINC000392003953 335149933 /nfs/dbraw/zinc/14/99/33/335149933.db2.gz RGMMSTLUDPSMOY-JBINPLMMSA-N 1 3 312.501 4.175 20 0 DIADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H](c2ccccc2)C1 ZINC000392003953 335149935 /nfs/dbraw/zinc/14/99/35/335149935.db2.gz RGMMSTLUDPSMOY-JBINPLMMSA-N 1 3 312.501 4.175 20 0 DIADHO C[C@@H]1C[C@@H](CN(Cc2cccs2)Cc2cccs2)CC[NH2+]1 ZINC000414684852 334068693 /nfs/dbraw/zinc/06/86/93/334068693.db2.gz XABZRSAFGIPMMJ-CABCVRRESA-N 1 3 320.527 4.200 20 0 DIADHO C[C@H]([NH3+])c1ccc(CNCc2cc(Cl)cc(Cl)c2)cc1 ZINC000414807667 334104222 /nfs/dbraw/zinc/10/42/22/334104222.db2.gz JAYYBSZNSYQDNO-NSHDSACASA-N 1 3 309.240 4.303 20 0 DIADHO C[C@@H](NCc1ccc(-c2ccc(F)cc2)s1)[C@H]1CCC[NH2+]C1 ZINC000414856581 334129711 /nfs/dbraw/zinc/12/97/11/334129711.db2.gz OLQBLSQCJQODEV-HIFRSBDPSA-N 1 3 318.461 4.032 20 0 DIADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1nccc2ccccc21 ZINC000289801441 334168031 /nfs/dbraw/zinc/16/80/31/334168031.db2.gz OYEIDUJODDORAF-MRXNPFEDSA-N 1 3 319.452 4.147 20 0 DIADHO CCC[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000582149473 334273733 /nfs/dbraw/zinc/27/37/33/334273733.db2.gz NAVVYHVBBJFKSU-WOJBJXKFSA-N 1 3 302.506 4.108 20 0 DIADHO [NH3+]CCC[C@@H](NCc1cc2cc(F)ccc2o1)c1ccccc1 ZINC000415051216 334259041 /nfs/dbraw/zinc/25/90/41/334259041.db2.gz JFKRZHZPAZBRKU-GOSISDBHSA-N 1 3 312.388 4.142 20 0 DIADHO CCCOc1cccc(CN[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000415044148 334261166 /nfs/dbraw/zinc/26/11/66/334261166.db2.gz AJVXMESQIIYTAM-HXUWFJFHSA-N 1 3 312.457 4.045 20 0 DIADHO [NH3+]CCC[C@H](NCc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000415048822 334261387 /nfs/dbraw/zinc/26/13/87/334261387.db2.gz GGLDBDLOTSDKOC-KRWDZBQOSA-N 1 3 306.812 4.049 20 0 DIADHO [NH3+]CCC[C@@H](NCc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000415048824 334261434 /nfs/dbraw/zinc/26/14/34/334261434.db2.gz GGLDBDLOTSDKOC-QGZVFWFLSA-N 1 3 306.812 4.049 20 0 DIADHO COc1ccc2oc(CN[C@@H](CCC[NH3+])c3ccccc3)cc2c1 ZINC000415057707 334261858 /nfs/dbraw/zinc/26/18/58/334261858.db2.gz SHRIVQUOWKDJSN-IBGZPJMESA-N 1 3 324.424 4.011 20 0 DIADHO [NH3+]CCC[C@H](NCc1ccccc1C(F)(F)F)c1ccccc1 ZINC000415069001 334262724 /nfs/dbraw/zinc/26/27/24/334262724.db2.gz RZDXXXZIFLUUIV-KRWDZBQOSA-N 1 3 322.374 4.275 20 0 DIADHO [NH3+]CCC[C@H](NCc1ccc(OCC2CC2)cc1)c1ccccc1 ZINC000415052818 334263885 /nfs/dbraw/zinc/26/38/85/334263885.db2.gz LNPXJDFJKRFYOK-NRFANRHFSA-N 1 3 324.468 4.045 20 0 DIADHO CC[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc(F)c1 ZINC000187706310 334269366 /nfs/dbraw/zinc/26/93/66/334269366.db2.gz QJZWYXPMZSZIPL-LJQANCHMSA-N 1 3 300.421 4.128 20 0 DIADHO C[C@@H](N[C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000415117065 334284030 /nfs/dbraw/zinc/28/40/30/334284030.db2.gz FWALRRLGILVVJB-CCKFTAQKSA-N 1 3 314.860 4.484 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000531957755 334314091 /nfs/dbraw/zinc/31/40/91/334314091.db2.gz FDXDLQVMZOMESF-AZUAARDMSA-N 1 3 300.490 4.238 20 0 DIADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](CC2CC2)c2ccccc2)C1 ZINC000531957755 334314092 /nfs/dbraw/zinc/31/40/92/334314092.db2.gz FDXDLQVMZOMESF-AZUAARDMSA-N 1 3 300.490 4.238 20 0 DIADHO CC(C)[N@H+]1CCC[C@@H](CN[C@H](CC2CC2)c2ccccc2)C1 ZINC000531957755 334314094 /nfs/dbraw/zinc/31/40/94/334314094.db2.gz FDXDLQVMZOMESF-AZUAARDMSA-N 1 3 300.490 4.238 20 0 DIADHO CC(C)CCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000531972603 334336637 /nfs/dbraw/zinc/33/66/37/334336637.db2.gz ZSWWJTYCZTZFHX-MSOLQXFVSA-N 1 3 318.505 4.104 20 0 DIADHO CC(C)CCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000531972603 334336638 /nfs/dbraw/zinc/33/66/38/334336638.db2.gz ZSWWJTYCZTZFHX-MSOLQXFVSA-N 1 3 318.505 4.104 20 0 DIADHO CC(C)CCOc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000531972605 334336942 /nfs/dbraw/zinc/33/69/42/334336942.db2.gz ZSWWJTYCZTZFHX-ROUUACIJSA-N 1 3 318.505 4.104 20 0 DIADHO CC(C)CCOc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000531972605 334336943 /nfs/dbraw/zinc/33/69/43/334336943.db2.gz ZSWWJTYCZTZFHX-ROUUACIJSA-N 1 3 318.505 4.104 20 0 DIADHO CC(C)CC[C@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000342822311 334581254 /nfs/dbraw/zinc/58/12/54/334581254.db2.gz GCPKKAXEYJPSEF-KRWDZBQOSA-N 1 3 318.505 4.074 20 0 DIADHO C[C@H]1C[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)c2ccccc21 ZINC000343658936 335185919 /nfs/dbraw/zinc/18/59/19/335185919.db2.gz RVLSMOURQRZKGP-HRAATJIYSA-N 1 3 321.468 4.136 20 0 DIADHO C[N@H+]1CC=C(CN[C@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000344305717 335239208 /nfs/dbraw/zinc/23/92/08/335239208.db2.gz VUXDOOPDGGRGLV-INIZCTEOSA-N 1 3 322.905 4.119 20 0 DIADHO C[N@@H+]1CC=C(CN[C@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000344305717 335239210 /nfs/dbraw/zinc/23/92/10/335239210.db2.gz VUXDOOPDGGRGLV-INIZCTEOSA-N 1 3 322.905 4.119 20 0 DIADHO CN1CC=C(C[NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000345286922 335313914 /nfs/dbraw/zinc/31/39/14/335313914.db2.gz FOGGYSSSTMOHHQ-GOSISDBHSA-N 1 3 304.865 4.033 20 0 DIADHO Cc1ccc([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000162939489 338512546 /nfs/dbraw/zinc/51/25/46/338512546.db2.gz WKZIDWLWOTZCKQ-SFHVURJKSA-N 1 3 308.469 4.442 20 0 DIADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000532492058 336250570 /nfs/dbraw/zinc/25/05/70/336250570.db2.gz NRRYNVXFWJDYAS-CQSZACIVSA-N 1 3 324.509 4.463 20 0 DIADHO CCCCN1CCC([NH2+][C@@H](CC)c2ccccc2OC)CC1 ZINC000193023337 336287178 /nfs/dbraw/zinc/28/71/78/336287178.db2.gz ZRRCHNGXUHMSHV-SFHVURJKSA-N 1 3 304.478 4.000 20 0 DIADHO Cc1nc2ccccc2c(N2CCC[C@H]([NH+]3CCCC3)CC2)c1C ZINC000302102865 336348633 /nfs/dbraw/zinc/34/86/33/336348633.db2.gz VWUBBVZFSLYDAH-SFHVURJKSA-N 1 3 323.484 4.306 20 0 DIADHO CC[C@@H](N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000183190172 337190261 /nfs/dbraw/zinc/19/02/61/337190261.db2.gz RWEBBSUFGBSQKJ-YVWKXTFCSA-N 1 3 300.490 4.380 20 0 DIADHO CC[C@@H](N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000183190172 337190262 /nfs/dbraw/zinc/19/02/62/337190262.db2.gz RWEBBSUFGBSQKJ-YVWKXTFCSA-N 1 3 300.490 4.380 20 0 DIADHO CC[C@@H]([NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccccc1 ZINC000183190172 337190263 /nfs/dbraw/zinc/19/02/63/337190263.db2.gz RWEBBSUFGBSQKJ-YVWKXTFCSA-N 1 3 300.490 4.380 20 0 DIADHO Cc1nc(C)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)s1 ZINC000183190914 337190311 /nfs/dbraw/zinc/19/03/11/337190311.db2.gz LIQDORYVKOIOSF-DVOMOZLQSA-N 1 3 321.534 4.064 20 0 DIADHO Cc1ccc2c(c1)[C@H](NCc1cccc(C[NH+](C)C)c1)CCCO2 ZINC000123659971 337400247 /nfs/dbraw/zinc/40/02/47/337400247.db2.gz CUHCRDFFYURJGO-HXUWFJFHSA-N 1 3 324.468 4.060 20 0 DIADHO C[C@@H](NCC[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000420404629 337500742 /nfs/dbraw/zinc/50/07/42/337500742.db2.gz MKSPTVXMGIQCMA-VXGBXAGGSA-N 1 3 301.261 4.034 20 0 DIADHO CCC[C@@H]([NH2+][C@H](C)c1ccc(CN)nc1C)C1CCCCC1 ZINC000422718140 337684043 /nfs/dbraw/zinc/68/40/43/337684043.db2.gz WTXNHKPFMVOXNO-DNVCBOLYSA-N 1 3 303.494 4.248 20 0 DIADHO C[C@H](CCCC[NH3+])N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000422726564 337684312 /nfs/dbraw/zinc/68/43/12/337684312.db2.gz FIMULDSHAWGMPN-NXEZZACHSA-N 1 3 307.240 4.301 20 0 DIADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Sc1ccccc1 ZINC000422781585 337686337 /nfs/dbraw/zinc/68/63/37/337686337.db2.gz FJJSJFFKMHBPQI-QXCFHYIPSA-N 1 3 318.530 4.068 20 0 DIADHO C[C@@H](CCC[NH3+])N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000422877804 337689801 /nfs/dbraw/zinc/68/98/01/337689801.db2.gz RSFDFLGRIXRMOA-UGSOOPFHSA-N 1 3 320.839 4.286 20 0 DIADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000422891958 337690467 /nfs/dbraw/zinc/69/04/67/337690467.db2.gz WZNYIPNXDBFNQT-RDBSUJKOSA-N 1 3 317.502 4.203 20 0 DIADHO C[C@@H](CCC[NH3+])NC1(c2c(Cl)cccc2Cl)CCC1 ZINC000423089080 337698774 /nfs/dbraw/zinc/69/87/74/337698774.db2.gz RONWGOLZODQQHR-NSHDSACASA-N 1 3 301.261 4.090 20 0 DIADHO C[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccc(-c2ccccc2)s1 ZINC000423203024 337703687 /nfs/dbraw/zinc/70/36/87/337703687.db2.gz BSTDGONVGVHTNY-CABCVRRESA-N 1 3 300.471 4.065 20 0 DIADHO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NCC[C@H](C)[NH3+] ZINC000423223637 337705649 /nfs/dbraw/zinc/70/56/49/337705649.db2.gz GYZJCXPVTZDXGL-WDEREUQCSA-N 1 3 323.893 4.160 20 0 DIADHO Clc1ccc([C@@H](NCC[C@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000423241551 337706773 /nfs/dbraw/zinc/70/67/73/337706773.db2.gz DEVYCJOEWJBKPX-BEFAXECRSA-N 1 3 314.860 4.019 20 0 DIADHO CCC[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1ccc(OC)cc1 ZINC000423292212 337710327 /nfs/dbraw/zinc/71/03/27/337710327.db2.gz LZLGBLZOKRCJTL-FOIQADDNSA-N 1 3 312.457 4.346 20 0 DIADHO CC[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(Cl)c1 ZINC000423356474 337714031 /nfs/dbraw/zinc/71/40/31/337714031.db2.gz JWIFMYHTNYPUAR-GOSISDBHSA-N 1 3 300.833 4.184 20 0 DIADHO C[C@H](CCCC[NH3+])N[C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000423427106 337717099 /nfs/dbraw/zinc/71/70/99/337717099.db2.gz IDVLJZZEZKJSOU-OLZOCXBDSA-N 1 3 321.465 4.117 20 0 DIADHO C[C@H](NC[C@@H]1CCC[C@H]([NH3+])C1)c1cc(Cl)sc1Cl ZINC000423455118 337720269 /nfs/dbraw/zinc/72/02/69/337720269.db2.gz DRUPYDFLJCARDD-AEJSXWLSSA-N 1 3 307.290 4.223 20 0 DIADHO C[C@H](CCC[NH3+])N[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000423461501 337720530 /nfs/dbraw/zinc/72/05/30/337720530.db2.gz SUYZFJBTVILKNZ-FZKQIMNGSA-N 1 3 320.839 4.286 20 0 DIADHO C[C@H](N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1Cl ZINC000423492532 337722610 /nfs/dbraw/zinc/72/26/10/337722610.db2.gz NKLAVOPCMFNZFL-IVZWLZJFSA-N 1 3 321.679 4.425 20 0 DIADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc2ccccc2n1 ZINC000423497829 337723213 /nfs/dbraw/zinc/72/32/13/337723213.db2.gz HKAILUINJPTXAU-JXFKEZNVSA-N 1 3 319.452 4.366 20 0 DIADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(F)c(F)c1 ZINC000423510886 337724005 /nfs/dbraw/zinc/72/40/05/337724005.db2.gz SQBPNJXDRXEPTP-UGSOOPFHSA-N 1 3 304.384 4.096 20 0 DIADHO COc1ccc2c(c1)CCC[C@H]2N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423517992 337724383 /nfs/dbraw/zinc/72/43/83/337724383.db2.gz YZFVNQMOINHDEO-LEWJYISDSA-N 1 3 324.468 4.142 20 0 DIADHO CN1CC[C@H]([NH2+][C@@H]2CCCc3sc(Cl)cc32)[C@@H]2CCC[C@@H]21 ZINC000426312703 338026352 /nfs/dbraw/zinc/02/63/52/338026352.db2.gz KFXAGATVGZTMNN-ATGSNQNLSA-N 1 3 324.921 4.241 20 0 DIADHO C[N@@H+]1CC[C@H](N[C@@H]2CCCc3sc(Cl)cc32)[C@@H]2CCC[C@@H]21 ZINC000426312703 338026353 /nfs/dbraw/zinc/02/63/53/338026353.db2.gz KFXAGATVGZTMNN-ATGSNQNLSA-N 1 3 324.921 4.241 20 0 DIADHO C[N@H+]1CC[C@H](N[C@@H]2CCCc3sc(Cl)cc32)[C@@H]2CCC[C@@H]21 ZINC000426312703 338026354 /nfs/dbraw/zinc/02/63/54/338026354.db2.gz KFXAGATVGZTMNN-ATGSNQNLSA-N 1 3 324.921 4.241 20 0 DIADHO CN(C)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000429555188 338083902 /nfs/dbraw/zinc/08/39/02/338083902.db2.gz VQTMCXWNBDEQGQ-NRFANRHFSA-N 1 3 308.469 4.270 20 0 DIADHO CN(C)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000429555188 338083903 /nfs/dbraw/zinc/08/39/03/338083903.db2.gz VQTMCXWNBDEQGQ-NRFANRHFSA-N 1 3 308.469 4.270 20 0 DIADHO CN(C)Cc1cccc(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000436267685 338264449 /nfs/dbraw/zinc/26/44/49/338264449.db2.gz QXEWQTDTSLMQDS-RTWAWAEBSA-N 1 3 308.469 4.174 20 0 DIADHO C[C@H](Cc1ccccc1F)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000437757853 338320238 /nfs/dbraw/zinc/32/02/38/338320238.db2.gz ZBWWCTJYWOKZIV-MRXNPFEDSA-N 1 3 318.480 4.001 20 0 DIADHO C[C@H](Cc1ccccc1F)NC1CC[NH+](CC2CCCC2)CC1 ZINC000437757853 338320239 /nfs/dbraw/zinc/32/02/39/338320239.db2.gz ZBWWCTJYWOKZIV-MRXNPFEDSA-N 1 3 318.480 4.001 20 0 DIADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000438079958 338330248 /nfs/dbraw/zinc/33/02/48/338330248.db2.gz ZXIBYVAAIRVZRM-QXSJWSMHSA-N 1 3 320.443 4.065 20 0 DIADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1ccc(-c2ccccc2)o1 ZINC000447575300 338558341 /nfs/dbraw/zinc/55/83/41/338558341.db2.gz YATKTAXLCZLGDU-INIZCTEOSA-N 1 3 324.468 4.472 20 0 DIADHO C[NH+](C)CC1CCC(NCc2cc(Cl)sc2Cl)CC1 ZINC000449209102 338602651 /nfs/dbraw/zinc/60/26/51/338602651.db2.gz RTVMQLWGPDIUNE-UHFFFAOYSA-N 1 3 321.317 4.265 20 0 DIADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC2(C(F)F)CC2)CC1 ZINC000449295858 338610422 /nfs/dbraw/zinc/61/04/22/338610422.db2.gz VSQHSZHFQAQYFL-UHFFFAOYSA-N 1 3 316.480 4.301 20 0 DIADHO CCC[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459409648 339027530 /nfs/dbraw/zinc/02/75/30/339027530.db2.gz RJTYXRZZCCSJNG-HXUWFJFHSA-N 1 3 323.484 4.051 20 0 DIADHO Cc1cc(C)cc([C@H](C)[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000459408474 339027541 /nfs/dbraw/zinc/02/75/41/339027541.db2.gz WRVDMQBERQXZDT-KRWDZBQOSA-N 1 3 309.457 4.018 20 0 DIADHO Cc1cc(C)cc([C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000459408477 339027591 /nfs/dbraw/zinc/02/75/91/339027591.db2.gz WRVDMQBERQXZDT-QGZVFWFLSA-N 1 3 309.457 4.018 20 0 DIADHO CC(C)CC(CC(C)C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459410933 339027785 /nfs/dbraw/zinc/02/77/85/339027785.db2.gz PLAHKGNSNTXOFC-UHFFFAOYSA-N 1 3 303.494 4.101 20 0 DIADHO CC[NH+]1CCC(CCNCc2cccc(Cl)c2Cl)CC1 ZINC000462766597 339087614 /nfs/dbraw/zinc/08/76/14/339087614.db2.gz XXJCPMXWAYLAJC-UHFFFAOYSA-N 1 3 315.288 4.205 20 0 DIADHO c1cc(C2CCCC2)ccc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000462784573 339088486 /nfs/dbraw/zinc/08/84/86/339088486.db2.gz HKLAXWNQQBANDY-UHFFFAOYSA-N 1 3 312.501 4.308 20 0 DIADHO C=Cc1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000462802836 339089836 /nfs/dbraw/zinc/08/98/36/339089836.db2.gz AUFKZXVLJBKMNJ-UHFFFAOYSA-N 1 3 312.501 4.259 20 0 DIADHO C=Cc1ccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000462802836 339089837 /nfs/dbraw/zinc/08/98/37/339089837.db2.gz AUFKZXVLJBKMNJ-UHFFFAOYSA-N 1 3 312.501 4.259 20 0 DIADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(OC(C)(C)C)cc1 ZINC000462813728 339091139 /nfs/dbraw/zinc/09/11/39/339091139.db2.gz RVPWCJAAKKOEGD-INIZCTEOSA-N 1 3 304.478 4.000 20 0 DIADHO c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+][C@H]2CCN3CCC[C@H]3C2)cc1 ZINC000468357029 339260518 /nfs/dbraw/zinc/26/05/18/339260518.db2.gz ODVPOGKOOWAOIX-TUFLPTIASA-N 1 3 312.501 4.004 20 0 DIADHO CCCCOc1ccccc1C[N@H+](C)[C@@H]1CCN(CC)C[C@H]1C ZINC000468392423 339261464 /nfs/dbraw/zinc/26/14/64/339261464.db2.gz LGWMMFDTJFIKTJ-IEBWSBKVSA-N 1 3 318.505 4.028 20 0 DIADHO CCCCOc1ccccc1C[N@@H+](C)[C@@H]1CCN(CC)C[C@H]1C ZINC000468392423 339261465 /nfs/dbraw/zinc/26/14/65/339261465.db2.gz LGWMMFDTJFIKTJ-IEBWSBKVSA-N 1 3 318.505 4.028 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000469126572 339280887 /nfs/dbraw/zinc/28/08/87/339280887.db2.gz XYGXWFNNZFLEFU-YJBOKZPZSA-N 1 3 306.881 4.113 20 0 DIADHO CC[N@@H+]1CC[C@@H](CN[C@@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000469126572 339280888 /nfs/dbraw/zinc/28/08/88/339280888.db2.gz XYGXWFNNZFLEFU-YJBOKZPZSA-N 1 3 306.881 4.113 20 0 DIADHO CC[N@H+]1CC[C@@H](CN[C@@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000469126572 339280889 /nfs/dbraw/zinc/28/08/89/339280889.db2.gz XYGXWFNNZFLEFU-YJBOKZPZSA-N 1 3 306.881 4.113 20 0 DIADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC000469847655 339302517 /nfs/dbraw/zinc/30/25/17/339302517.db2.gz ZKQDMQOCISUIDP-QWHCGFSZSA-N 1 3 320.889 4.238 20 0 DIADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(-c2ccccc2Cl)s1 ZINC000469867348 339303271 /nfs/dbraw/zinc/30/32/71/339303271.db2.gz VIYFXMVVXFPBES-OLZOCXBDSA-N 1 3 320.889 4.238 20 0 DIADHO C[N@@H+]1CCCC[C@H]1CCN1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000472727390 339376555 /nfs/dbraw/zinc/37/65/55/339376555.db2.gz GFGFJFCQMBSSFV-WMZOPIPTSA-N 1 3 306.881 4.004 20 0 DIADHO C[N@H+]1CCCC[C@H]1CCN1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000472727390 339376556 /nfs/dbraw/zinc/37/65/56/339376556.db2.gz GFGFJFCQMBSSFV-WMZOPIPTSA-N 1 3 306.881 4.004 20 0 DIADHO C[C@@H]([NH2+]Cc1ccc(CN(C)C)cc1)C1CCC(F)(F)CC1 ZINC000474035999 339398107 /nfs/dbraw/zinc/39/81/07/339398107.db2.gz STJPMMRJTFDRLY-CQSZACIVSA-N 1 3 310.432 4.052 20 0 DIADHO C[C@@H](CC[NH2+][C@@H](C)C1CCC(F)(F)CC1)N1CCCCC1 ZINC000474046024 339398964 /nfs/dbraw/zinc/39/89/64/339398964.db2.gz RNMBCHIIHFMGHF-GJZGRUSLSA-N 1 3 302.453 4.055 20 0 DIADHO CCC[NH+]1CCC(CN[C@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000482518743 339634544 /nfs/dbraw/zinc/63/45/44/339634544.db2.gz KTPLAWZIMWHTJL-CQSZACIVSA-N 1 3 324.896 4.121 20 0 DIADHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000482942837 339647497 /nfs/dbraw/zinc/64/74/97/339647497.db2.gz CNDNCTBUJMCBQU-OAHLLOKOSA-N 1 3 310.432 4.272 20 0 DIADHO CC[NH+]1CCC(CCN[C@H](C)c2ccc(F)cc2Cl)CC1 ZINC000483736099 339673392 /nfs/dbraw/zinc/67/33/92/339673392.db2.gz RVIDXJCIVDRUCR-CYBMUJFWSA-N 1 3 312.860 4.252 20 0 DIADHO CC[C@@H](NCCC1CC[NH+](CC)CC1)c1ccc(F)cc1F ZINC000483746843 339673830 /nfs/dbraw/zinc/67/38/30/339673830.db2.gz SABZRSTTXAVNAA-GOSISDBHSA-N 1 3 310.432 4.128 20 0 DIADHO CC1CC[NH+](CCCCNCc2sccc2Cl)CC1 ZINC000486959170 339740049 /nfs/dbraw/zinc/74/00/49/339740049.db2.gz QQLLZVTYLDUQDS-UHFFFAOYSA-N 1 3 300.899 4.003 20 0 DIADHO Cc1ccc([C@H](NCC2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000491062148 339847586 /nfs/dbraw/zinc/84/75/86/339847586.db2.gz UWYHYSOVTKRWIJ-OAQYLSRUSA-N 1 3 308.469 4.016 20 0 DIADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000498932057 340026405 /nfs/dbraw/zinc/02/64/05/340026405.db2.gz UEVQEKKLFFVUFA-HSALFYBXSA-N 1 3 316.464 4.224 20 0 DIADHO Cc1cc(C)cc(C[N@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000501070218 340073658 /nfs/dbraw/zinc/07/36/58/340073658.db2.gz RVKYQULOZSWWFL-UHFFFAOYSA-N 1 3 323.484 4.047 20 0 DIADHO Cc1cc(C)cc(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)c1 ZINC000501070218 340073659 /nfs/dbraw/zinc/07/36/59/340073659.db2.gz RVKYQULOZSWWFL-UHFFFAOYSA-N 1 3 323.484 4.047 20 0 DIADHO CCC(C)(C)CC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501076944 340073908 /nfs/dbraw/zinc/07/39/08/340073908.db2.gz HQAXTPXSNFRALC-UHFFFAOYSA-N 1 3 303.494 4.056 20 0 DIADHO CCC(C)(C)CC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501076944 340073909 /nfs/dbraw/zinc/07/39/09/340073909.db2.gz HQAXTPXSNFRALC-UHFFFAOYSA-N 1 3 303.494 4.056 20 0 DIADHO Cc1cc([C@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)oc1C ZINC000502458312 340104535 /nfs/dbraw/zinc/10/45/35/340104535.db2.gz CLXYJJRXZCEOBP-QFBILLFUSA-N 1 3 312.457 4.069 20 0 DIADHO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CC[C@H]1CCCN1C ZINC000502691102 340110799 /nfs/dbraw/zinc/11/07/99/340110799.db2.gz GHJLAHBZFWINEM-CZUORRHYSA-N 1 3 314.395 4.183 20 0 DIADHO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CC[C@H]1CCCN1C ZINC000502691102 340110800 /nfs/dbraw/zinc/11/08/00/340110800.db2.gz GHJLAHBZFWINEM-CZUORRHYSA-N 1 3 314.395 4.183 20 0 DIADHO c1c2ccccc2sc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000506931184 340203864 /nfs/dbraw/zinc/20/38/64/340203864.db2.gz PXLYQFSHKICHBO-UHFFFAOYSA-N 1 3 314.498 4.209 20 0 DIADHO FCCC[C@H]1CCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000510722471 340308102 /nfs/dbraw/zinc/30/81/02/340308102.db2.gz OZQITIMHAKXIMH-APWZRJJASA-N 1 3 310.501 4.292 20 0 DIADHO Cc1cccc([C@@H](NCCCC[NH+](C)C)c2cccc(F)c2)c1 ZINC000510753191 340309697 /nfs/dbraw/zinc/30/96/97/340309697.db2.gz QCBIKMGSRHILPC-HXUWFJFHSA-N 1 3 314.448 4.155 20 0 DIADHO C[NH+](C)CCC1CCN(Cc2ccc(C(C)(C)C)s2)CC1 ZINC000511537010 340329939 /nfs/dbraw/zinc/32/99/39/340329939.db2.gz MPOBBLXFEQVXIB-UHFFFAOYSA-N 1 3 308.535 4.209 20 0 DIADHO Cc1cccc2c1CC[C@@H]2N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512316492 340356567 /nfs/dbraw/zinc/35/65/67/340356567.db2.gz ZKKPTLDHDPZVAK-WWMYMODYSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1cccc2c1CC[C@@H]2N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512316492 340356568 /nfs/dbraw/zinc/35/65/68/340356568.db2.gz ZKKPTLDHDPZVAK-WWMYMODYSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000512316492 340356569 /nfs/dbraw/zinc/35/65/69/340356569.db2.gz ZKKPTLDHDPZVAK-WWMYMODYSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1ccc2c(c1)[C@H](N[C@H](C)[C@H]1CCC[N@@H+](C3CCC3)C1)CC2 ZINC000512317531 340356816 /nfs/dbraw/zinc/35/68/16/340356816.db2.gz CPZPGAMVEBNJFP-PLMTUMEDSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1ccc2c(c1)[C@H](N[C@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)CC2 ZINC000512317531 340356817 /nfs/dbraw/zinc/35/68/17/340356817.db2.gz CPZPGAMVEBNJFP-PLMTUMEDSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H]1CCCN(C3CCC3)C1)CC2 ZINC000512317531 340356818 /nfs/dbraw/zinc/35/68/18/340356818.db2.gz CPZPGAMVEBNJFP-PLMTUMEDSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1ccc2c(c1)[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C3CCC3)C1)CC2 ZINC000512317529 340356826 /nfs/dbraw/zinc/35/68/26/340356826.db2.gz CPZPGAMVEBNJFP-DJPFJPOOSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1ccc2c(c1)[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)CC2 ZINC000512317529 340356827 /nfs/dbraw/zinc/35/68/27/340356827.db2.gz CPZPGAMVEBNJFP-DJPFJPOOSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C3CCC3)C1)CC2 ZINC000512317529 340356828 /nfs/dbraw/zinc/35/68/28/340356828.db2.gz CPZPGAMVEBNJFP-DJPFJPOOSA-N 1 3 312.501 4.225 20 0 DIADHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(F)c1 ZINC000173838252 340375411 /nfs/dbraw/zinc/37/54/11/340375411.db2.gz LVGVIXICMJDLGQ-INIZCTEOSA-N 1 3 312.432 4.272 20 0 DIADHO CCC[N@@H+]1CC[C@H](CNC/C(C)=C/c2ccc(Cl)cc2)C1 ZINC000513003893 340387817 /nfs/dbraw/zinc/38/78/17/340387817.db2.gz LLVOUCVJOJJARX-GSPCDJLXSA-N 1 3 306.881 4.065 20 0 DIADHO CCC[N@H+]1CC[C@H](CNC/C(C)=C/c2ccc(Cl)cc2)C1 ZINC000513003893 340387818 /nfs/dbraw/zinc/38/78/18/340387818.db2.gz LLVOUCVJOJJARX-GSPCDJLXSA-N 1 3 306.881 4.065 20 0 DIADHO C1C[C@H]2CC[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)C[C@@H]2C1 ZINC000513207771 340397202 /nfs/dbraw/zinc/39/72/02/340397202.db2.gz FVKXVODREWXJTQ-JENIJYKNSA-N 1 3 304.522 4.342 20 0 DIADHO Cc1c([C@H](C)NCCCCC[NH+]2CCCCC2)cnn1C(C)C ZINC000191285699 340552274 /nfs/dbraw/zinc/55/22/74/340552274.db2.gz QNUXYDXFDNXYJH-KRWDZBQOSA-N 1 3 320.525 4.079 20 0 DIADHO CC[NH+]1CCC(CCN[C@H](C)c2csc(Cl)c2)CC1 ZINC000191311621 340552616 /nfs/dbraw/zinc/55/26/16/340552616.db2.gz PQPYFBLGSNFXGR-GFCCVEGCSA-N 1 3 300.899 4.174 20 0 DIADHO CC[C@@H](c1ccc(F)cc1F)N1CCC(C[NH+](CC)CC)CC1 ZINC000524141764 340648285 /nfs/dbraw/zinc/64/82/85/340648285.db2.gz YERIWQVKPLVIRL-IBGZPJMESA-N 1 3 324.459 4.470 20 0 DIADHO C[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)c1ccccc1 ZINC000316447980 340685447 /nfs/dbraw/zinc/68/54/47/340685447.db2.gz FYLFSUWYOQUFSD-GSEOLPGOSA-N 1 3 300.490 4.081 20 0 DIADHO Cc1ccc(C)c([C@H](C)[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000537937272 340791705 /nfs/dbraw/zinc/79/17/05/340791705.db2.gz DPQKMYZADAOVNO-SFHVURJKSA-N 1 3 323.484 4.266 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)NCc1cc(Cl)ccc1F ZINC000125070017 340802137 /nfs/dbraw/zinc/80/21/37/340802137.db2.gz SSJNPPZADZSNIB-ZDUSSCGKSA-N 1 3 300.849 4.079 20 0 DIADHO Cc1cccc(C)c1C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000542534202 341012571 /nfs/dbraw/zinc/01/25/71/341012571.db2.gz YOMUSFQZDJDBTA-ZWKOTPCHSA-N 1 3 300.490 4.046 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(-c3ccccc3)s2)C1 ZINC000543600116 341050620 /nfs/dbraw/zinc/05/06/20/341050620.db2.gz BKPQJXRMJQJSMD-HZPDHXFCSA-N 1 3 314.498 4.408 20 0 DIADHO CC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc(-c3ccccc3)s2)C1 ZINC000543600116 341050621 /nfs/dbraw/zinc/05/06/21/341050621.db2.gz BKPQJXRMJQJSMD-HZPDHXFCSA-N 1 3 314.498 4.408 20 0 DIADHO CC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(-c3ccccc3)s2)C1 ZINC000543600116 341050622 /nfs/dbraw/zinc/05/06/22/341050622.db2.gz BKPQJXRMJQJSMD-HZPDHXFCSA-N 1 3 314.498 4.408 20 0 DIADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc(-c2ccccc2)s1 ZINC000543626606 341051714 /nfs/dbraw/zinc/05/17/14/341051714.db2.gz FSCMXIWSQAQRIB-OAHLLOKOSA-N 1 3 312.482 4.328 20 0 DIADHO C[NH+](C)CCCC1CCN(C/C=C/c2ccc(F)cc2F)CC1 ZINC000543631488 341052185 /nfs/dbraw/zinc/05/21/85/341052185.db2.gz JUGCVJANQIMZTL-GQCTYLIASA-N 1 3 322.443 4.032 20 0 DIADHO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C1CCN(CC(C)C)CC1 ZINC000131173951 341063693 /nfs/dbraw/zinc/06/36/93/341063693.db2.gz OCCUKQZSTPHAQG-AWEZNQCLSA-N 1 3 323.550 4.346 20 0 DIADHO CC(C)C[NH+]1CCC(N[C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000544039458 341067568 /nfs/dbraw/zinc/06/75/68/341067568.db2.gz PSHQRFMUVGNYEV-VQTJNVASSA-N 1 3 314.517 4.279 20 0 DIADHO Cc1ccc(CCC[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1 ZINC000544423940 341081620 /nfs/dbraw/zinc/08/16/20/341081620.db2.gz IMTPTRXIUBIGIT-AZUAARDMSA-N 1 3 314.517 4.170 20 0 DIADHO Cc1ccc(CCC[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)cc1 ZINC000544423947 341081652 /nfs/dbraw/zinc/08/16/52/341081652.db2.gz IMTPTRXIUBIGIT-QUCCMNQESA-N 1 3 314.517 4.170 20 0 DIADHO Cc1ccc([C@@H](NCc2ccc(C[NH+](C)C)cc2)C2CCC2)o1 ZINC000544576635 341086818 /nfs/dbraw/zinc/08/68/18/341086818.db2.gz RAUWGSGKWDPNDI-FQEVSTJZSA-N 1 3 312.457 4.281 20 0 DIADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2ccccc2)s1 ZINC000544578315 341086945 /nfs/dbraw/zinc/08/69/45/341086945.db2.gz ZNYLXUROAACWQL-CVEARBPZSA-N 1 3 314.498 4.408 20 0 DIADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2)s1 ZINC000544578315 341086946 /nfs/dbraw/zinc/08/69/46/341086946.db2.gz ZNYLXUROAACWQL-CVEARBPZSA-N 1 3 314.498 4.408 20 0 DIADHO CCN(CC)CCC[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000131474138 341090792 /nfs/dbraw/zinc/09/07/92/341090792.db2.gz NILBDBQJIDGJNR-QGZVFWFLSA-N 1 3 311.473 4.131 20 0 DIADHO Cc1cccc(-c2ccc(CN[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2)c1 ZINC000544825687 341094951 /nfs/dbraw/zinc/09/49/51/341094951.db2.gz OPAWGDFPHJYASX-UWJYYQICSA-N 1 3 308.469 4.092 20 0 DIADHO Cc1cccc(-c2ccc(CN[C@H]3CC[N@H+](C)C[C@@H]3C)cc2)c1 ZINC000544825687 341094952 /nfs/dbraw/zinc/09/49/52/341094952.db2.gz OPAWGDFPHJYASX-UWJYYQICSA-N 1 3 308.469 4.092 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)C1 ZINC000564319773 341211279 /nfs/dbraw/zinc/21/12/79/341211279.db2.gz YUTARVFEIUWENL-HHXXYDBFSA-N 1 3 320.908 4.296 20 0 DIADHO Cc1cccc2c1[C@H](C)C[C@H]2NCc1ccc(C[NH+](C)C)cc1 ZINC000152641724 341213690 /nfs/dbraw/zinc/21/36/90/341213690.db2.gz SFARARYYWVUWGF-OXQOHEQNSA-N 1 3 308.469 4.395 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cc3cc(Cl)ccc3o2)C1 ZINC000245940652 341319003 /nfs/dbraw/zinc/31/90/03/341319003.db2.gz UUSQQUDIARSCOU-OLZOCXBDSA-N 1 3 306.837 4.079 20 0 DIADHO C[C@H](F)CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000550881969 341325374 /nfs/dbraw/zinc/32/53/74/341325374.db2.gz FIFRVERLMQAJJA-OJAHFUOMSA-N 1 3 318.480 4.015 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2cccc(C3CC3)c2)C1 ZINC000551030148 341329626 /nfs/dbraw/zinc/32/96/26/341329626.db2.gz YHTYDGUWUKKAFE-SJORKVTESA-N 1 3 300.490 4.335 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)C1 ZINC000551833021 341353251 /nfs/dbraw/zinc/35/32/51/341353251.db2.gz FXRVMJWAEKMSBZ-GIVPXCGWSA-N 1 3 314.517 4.423 20 0 DIADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1cccc(-c2ccncc2)c1 ZINC000247260695 341362933 /nfs/dbraw/zinc/36/29/33/341362933.db2.gz ZEDLAGLFIOBIRS-ORYQWCPZSA-N 1 3 323.484 4.272 20 0 DIADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)c1ccc(F)cc1 ZINC000248403590 341376676 /nfs/dbraw/zinc/37/66/76/341376676.db2.gz OTJCAUJIKPCPJO-ZOBUZTSGSA-N 1 3 304.453 4.129 20 0 DIADHO Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248407240 341376724 /nfs/dbraw/zinc/37/67/24/341376724.db2.gz UDQGIPUKWJDVFG-LNLFQRSKSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248407240 341376725 /nfs/dbraw/zinc/37/67/25/341376725.db2.gz UDQGIPUKWJDVFG-LNLFQRSKSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)cc1 ZINC000248407240 341376726 /nfs/dbraw/zinc/37/67/26/341376726.db2.gz UDQGIPUKWJDVFG-LNLFQRSKSA-N 1 3 300.490 4.299 20 0 DIADHO CC(C)Cc1cccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000552224340 341379427 /nfs/dbraw/zinc/37/94/27/341379427.db2.gz UGLJKCMMPNZHFQ-FUHWJXTLSA-N 1 3 300.490 4.020 20 0 DIADHO CC(C)Cc1cccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000552224340 341379428 /nfs/dbraw/zinc/37/94/28/341379428.db2.gz UGLJKCMMPNZHFQ-FUHWJXTLSA-N 1 3 300.490 4.020 20 0 DIADHO CC(C)Cc1cccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000552224341 341379544 /nfs/dbraw/zinc/37/95/44/341379544.db2.gz UGLJKCMMPNZHFQ-SJLPKXTDSA-N 1 3 300.490 4.020 20 0 DIADHO CC(C)Cc1cccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000552224341 341379545 /nfs/dbraw/zinc/37/95/45/341379545.db2.gz UGLJKCMMPNZHFQ-SJLPKXTDSA-N 1 3 300.490 4.020 20 0 DIADHO C[C@H](Cc1cccs1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000552561738 341398948 /nfs/dbraw/zinc/39/89/48/341398948.db2.gz ABOXHBPLCOPECL-OAHLLOKOSA-N 1 3 306.519 4.066 20 0 DIADHO C[C@H](Cc1cccs1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000552561738 341398949 /nfs/dbraw/zinc/39/89/49/341398949.db2.gz ABOXHBPLCOPECL-OAHLLOKOSA-N 1 3 306.519 4.066 20 0 DIADHO Clc1sc(Cl)c2c1CCC[C@H]2NCC1CC[NH2+]CC1 ZINC000564822116 341510682 /nfs/dbraw/zinc/51/06/82/341510682.db2.gz DBXVBCPAWDFIAQ-LLVKDONJSA-N 1 3 319.301 4.022 20 0 DIADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1cc2ccccc2o1 ZINC000171127405 341772218 /nfs/dbraw/zinc/77/22/18/341772218.db2.gz QMVXBWYDIAEVAA-HNNXBMFYSA-N 1 3 308.425 4.345 20 0 DIADHO CC(C)c1ccc2c(c1)[C@@H](NCc1ccc(C[NH3+])cc1)CCCO2 ZINC000577221521 341898334 /nfs/dbraw/zinc/89/83/34/341898334.db2.gz RJDVHCMVPOYLSV-FQEVSTJZSA-N 1 3 324.468 4.272 20 0 DIADHO CC[NH+]1CCC(CN[C@H](C)c2cc3ccc(C)cc3o2)CC1 ZINC000577574634 341919440 /nfs/dbraw/zinc/91/94/40/341919440.db2.gz IVFGNNXBCOSAAT-OAHLLOKOSA-N 1 3 300.446 4.124 20 0 DIADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1cccc2cc[nH]c21 ZINC000236659325 519630319 /nfs/dbraw/zinc/63/03/19/519630319.db2.gz OAQKVWDZFQKRQB-UHFFFAOYSA-N 1 3 321.468 4.298 20 0 DIADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1cccc2cc[nH]c21 ZINC000236659325 519630320 /nfs/dbraw/zinc/63/03/20/519630320.db2.gz OAQKVWDZFQKRQB-UHFFFAOYSA-N 1 3 321.468 4.298 20 0 DIADHO CC(C)[NH+](CCCN[C@H]1CCC[C@@H](c2cccnc2)C1)C(C)C ZINC000337342687 519643802 /nfs/dbraw/zinc/64/38/02/519643802.db2.gz RKUIFTCUJDZGHZ-QUCCMNQESA-N 1 3 317.521 4.206 20 0 DIADHO C[C@@H](NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1ccncc1 ZINC000266504623 525520261 /nfs/dbraw/zinc/52/02/61/525520261.db2.gz WEMAQDZPQQAYEF-QZTJIDSGSA-N 1 3 323.484 4.307 20 0 DIADHO C[C@@H](NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1ccncc1 ZINC000266504623 525520269 /nfs/dbraw/zinc/52/02/69/525520269.db2.gz WEMAQDZPQQAYEF-QZTJIDSGSA-N 1 3 323.484 4.307 20 0 DIADHO CC(C)[N@H+](CCCN)[C@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001173543557 1051737055 /nfs/dbraw/zinc/73/70/55/1051737055.db2.gz MNGYQMSXSHATFX-CYBMUJFWSA-N 1 3 317.304 4.374 20 0 DIADHO CC(C)[N@@H+](CCCN)[C@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001173543557 1051737066 /nfs/dbraw/zinc/73/70/66/1051737066.db2.gz MNGYQMSXSHATFX-CYBMUJFWSA-N 1 3 317.304 4.374 20 0 DIADHO C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1(c2ccccc2)CCCC1 ZINC000643548640 1035606821 /nfs/dbraw/zinc/60/68/21/1035606821.db2.gz SOPZSACARBJPIY-IEBWSBKVSA-N 1 3 312.501 4.151 20 0 DIADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)c1cccs1 ZINC000154856671 1036039916 /nfs/dbraw/zinc/03/99/16/1036039916.db2.gz MNDMKRJYOWRXCB-OAHLLOKOSA-N 1 3 302.487 4.439 20 0 DIADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)c1cccs1 ZINC000154856671 1036039938 /nfs/dbraw/zinc/03/99/38/1036039938.db2.gz MNDMKRJYOWRXCB-OAHLLOKOSA-N 1 3 302.487 4.439 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000037786252 1036134283 /nfs/dbraw/zinc/13/42/83/1036134283.db2.gz RNWLBFHPVUMWTR-MRXNPFEDSA-N 1 3 304.503 4.076 20 0 DIADHO C[C@H]1C[C@@H]1c1ccc(CNCCCCC[NH+]2CCCCC2)o1 ZINC000237562788 1036387981 /nfs/dbraw/zinc/38/79/81/1036387981.db2.gz VKKSRDORCAOWDQ-WMZOPIPTSA-N 1 3 304.478 4.149 20 0 DIADHO c1ccc2c(c1)-c1ccccc1C2N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000324627463 1036427749 /nfs/dbraw/zinc/42/77/49/1036427749.db2.gz PSOPVDBIFBAKOW-IIBYNOLFSA-N 1 3 318.464 4.220 20 0 DIADHO C[NH+](C)[C@H]1C[C@@H](CNCc2c(Cl)ccc(Cl)c2Cl)C1 ZINC000655826533 1036570854 /nfs/dbraw/zinc/57/08/54/1036570854.db2.gz HMHXOCRWMCBBKF-AOOOYVTPSA-N 1 3 321.679 4.077 20 0 DIADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2ccccc2)s1 ZINC000580006014 1036711634 /nfs/dbraw/zinc/71/16/34/1036711634.db2.gz HXQFVGXQEQUNBX-QAPCUYQASA-N 1 3 314.498 4.187 20 0 DIADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2ccccc2)s1 ZINC000580006014 1036711650 /nfs/dbraw/zinc/71/16/50/1036711650.db2.gz HXQFVGXQEQUNBX-QAPCUYQASA-N 1 3 314.498 4.187 20 0 DIADHO CCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398023180 1037085442 /nfs/dbraw/zinc/08/54/42/1037085442.db2.gz KWHYCSMFSXAMGL-XMSQKQJNSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000398023180 1037085461 /nfs/dbraw/zinc/08/54/61/1037085461.db2.gz KWHYCSMFSXAMGL-XMSQKQJNSA-N 1 3 322.496 4.249 20 0 DIADHO c1c2ccccc2[nH]c1CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000683927297 1037110935 /nfs/dbraw/zinc/11/09/35/1037110935.db2.gz JXVWQLFJYJJGDB-UHFFFAOYSA-N 1 3 319.452 4.054 20 0 DIADHO CCCC[N@H+](C)CC1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000684019751 1037244124 /nfs/dbraw/zinc/24/41/24/1037244124.db2.gz AGYASVIKAGKJPD-UHFFFAOYSA-N 1 3 313.489 4.112 20 0 DIADHO CCCC[N@@H+](C)CC1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000684019751 1037244129 /nfs/dbraw/zinc/24/41/29/1037244129.db2.gz AGYASVIKAGKJPD-UHFFFAOYSA-N 1 3 313.489 4.112 20 0 DIADHO Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@H](CN3CCCCC3)C2)c(C)c1 ZINC001167429873 1037246923 /nfs/dbraw/zinc/24/69/23/1037246923.db2.gz NRANUTTZTWQVCV-VQTJNVASSA-N 1 3 314.517 4.481 20 0 DIADHO Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H](CN3CCCCC3)C2)c(C)c1 ZINC001167429873 1037246930 /nfs/dbraw/zinc/24/69/30/1037246930.db2.gz NRANUTTZTWQVCV-VQTJNVASSA-N 1 3 314.517 4.481 20 0 DIADHO Cc1cc(C)c([C@H](C)N2CC[C@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC001167429873 1037246947 /nfs/dbraw/zinc/24/69/47/1037246947.db2.gz NRANUTTZTWQVCV-VQTJNVASSA-N 1 3 314.517 4.481 20 0 DIADHO CCC[N@@H+]1CC[C@@H](CN[C@H]2CCCc3ccc(Cl)cc32)C1 ZINC000535685719 1038314352 /nfs/dbraw/zinc/31/43/52/1038314352.db2.gz LOPXWTBMDPXZRF-KSSFIOAISA-N 1 3 306.881 4.039 20 0 DIADHO CCC[N@H+]1CC[C@@H](CN[C@H]2CCCc3ccc(Cl)cc32)C1 ZINC000535685719 1038314362 /nfs/dbraw/zinc/31/43/62/1038314362.db2.gz LOPXWTBMDPXZRF-KSSFIOAISA-N 1 3 306.881 4.039 20 0 DIADHO CCC[N@@H+]1CC[C@H](CN[C@H]2CCCc3ccc(Cl)cc32)C1 ZINC000535685718 1038315827 /nfs/dbraw/zinc/31/58/27/1038315827.db2.gz LOPXWTBMDPXZRF-KDOFPFPSSA-N 1 3 306.881 4.039 20 0 DIADHO CCC[N@H+]1CC[C@H](CN[C@H]2CCCc3ccc(Cl)cc32)C1 ZINC000535685718 1038315847 /nfs/dbraw/zinc/31/58/47/1038315847.db2.gz LOPXWTBMDPXZRF-KDOFPFPSSA-N 1 3 306.881 4.039 20 0 DIADHO CC(C)N(Cc1c(Cl)cccc1Cl)CC1CC[NH2+]CC1 ZINC000094012411 1038489512 /nfs/dbraw/zinc/48/95/12/1038489512.db2.gz JNPDNJPVHKOTRX-UHFFFAOYSA-N 1 3 315.288 4.203 20 0 DIADHO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CCCN2CCCCC2)C1 ZINC001167504793 1038485434 /nfs/dbraw/zinc/48/54/34/1038485434.db2.gz OOYKVNDFDRFJEJ-VQIMIIECSA-N 1 3 304.453 4.085 20 0 DIADHO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCCN2CCCCC2)C1 ZINC001167504793 1038485437 /nfs/dbraw/zinc/48/54/37/1038485437.db2.gz OOYKVNDFDRFJEJ-VQIMIIECSA-N 1 3 304.453 4.085 20 0 DIADHO Cc1cc(C)nc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000707898413 1038498536 /nfs/dbraw/zinc/49/85/36/1038498536.db2.gz IPYHFWIPVATOLC-XUVXKRRUSA-N 1 3 321.468 4.021 20 0 DIADHO Cc1cc(C)nc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000707898413 1038498540 /nfs/dbraw/zinc/49/85/40/1038498540.db2.gz IPYHFWIPVATOLC-XUVXKRRUSA-N 1 3 321.468 4.021 20 0 DIADHO c1ccc2cc(CCN3CCC[C@@H]([NH+]4CCCC4)CC3)ccc2c1 ZINC000606447886 1038603266 /nfs/dbraw/zinc/60/32/66/1038603266.db2.gz LMOQVXZRHQIJIP-JOCHJYFZSA-N 1 3 322.496 4.333 20 0 DIADHO CC[N@@H+]1CC[C@@H](NCc2ccc(-c3ccccc3)s2)[C@@H](C)C1 ZINC000608067434 1038763803 /nfs/dbraw/zinc/76/38/03/1038763803.db2.gz CGFGVBBTZDDDTN-MAUKXSAKSA-N 1 3 314.498 4.235 20 0 DIADHO CC[N@H+]1CC[C@@H](NCc2ccc(-c3ccccc3)s2)[C@@H](C)C1 ZINC000608067434 1038763817 /nfs/dbraw/zinc/76/38/17/1038763817.db2.gz CGFGVBBTZDDDTN-MAUKXSAKSA-N 1 3 314.498 4.235 20 0 DIADHO COc1ccc([C@H](C)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000123060116 1039132969 /nfs/dbraw/zinc/13/29/69/1039132969.db2.gz POPUKYIAPYLZJP-KRWDZBQOSA-N 1 3 324.468 4.142 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2cccc(F)c2)c1 ZINC000123980437 1039184174 /nfs/dbraw/zinc/18/41/74/1039184174.db2.gz TYRPSUKBSQJZST-OAHLLOKOSA-N 1 3 300.421 4.128 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2cccc(F)c2)c1 ZINC000123980437 1039184181 /nfs/dbraw/zinc/18/41/81/1039184181.db2.gz TYRPSUKBSQJZST-OAHLLOKOSA-N 1 3 300.421 4.128 20 0 DIADHO C[C@H](NCCCCC[NH+]1CCCCC1)c1cccc(F)c1F ZINC000539547920 1039286272 /nfs/dbraw/zinc/28/62/72/1039286272.db2.gz VPYHKOSYEOIJRK-HNNXBMFYSA-N 1 3 310.432 4.272 20 0 DIADHO CC(C)C[C@H]([NH2+]CC[C@@H](C)N1CCCCC1)c1ccncc1 ZINC000647299741 1039387682 /nfs/dbraw/zinc/38/76/82/1039387682.db2.gz CETVNEPVKDQQJA-MJGOQNOKSA-N 1 3 303.494 4.023 20 0 DIADHO CC(C)C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccncc1 ZINC000647299742 1039387727 /nfs/dbraw/zinc/38/77/27/1039387727.db2.gz CETVNEPVKDQQJA-PKOBYXMFSA-N 1 3 303.494 4.023 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@H]1C[C@H](C)Sc2sccc21 ZINC000650758647 1039468521 /nfs/dbraw/zinc/46/85/21/1039468521.db2.gz UQKLXWYCAXQNGZ-LRDDRELGSA-N 1 3 318.511 4.183 20 0 DIADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccccc1C(F)(F)F ZINC000540459087 1039495495 /nfs/dbraw/zinc/49/54/95/1039495495.db2.gz IHINQZWNOGDMPO-ZIAGYGMSSA-N 1 3 314.395 4.230 20 0 DIADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccccc1C(F)(F)F ZINC000540459085 1039496491 /nfs/dbraw/zinc/49/64/91/1039496491.db2.gz IHINQZWNOGDMPO-KGLIPLIRSA-N 1 3 314.395 4.230 20 0 DIADHO C[C@@H](CN[C@@H](C)c1cc2ccncc2s1)C[NH+]1CCCCC1 ZINC000657842187 1039689273 /nfs/dbraw/zinc/68/92/73/1039689273.db2.gz IILWEWAZITUTDM-GJZGRUSLSA-N 1 3 317.502 4.069 20 0 DIADHO C[C@@H](C[NH2+][C@@H](C)c1cc2ccncc2s1)CN1CCCCC1 ZINC000657842187 1039689279 /nfs/dbraw/zinc/68/92/79/1039689279.db2.gz IILWEWAZITUTDM-GJZGRUSLSA-N 1 3 317.502 4.069 20 0 DIADHO Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H](CN(C)C)C3)s2)cc1 ZINC000541909486 1039755699 /nfs/dbraw/zinc/75/56/99/1039755699.db2.gz SAGBYCSUNALMMQ-INIZCTEOSA-N 1 3 314.498 4.107 20 0 DIADHO Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](CN(C)C)C3)s2)cc1 ZINC000541909486 1039755718 /nfs/dbraw/zinc/75/57/18/1039755718.db2.gz SAGBYCSUNALMMQ-INIZCTEOSA-N 1 3 314.498 4.107 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2cc3ccncc3s2)C1 ZINC000657872565 1039954357 /nfs/dbraw/zinc/95/43/57/1039954357.db2.gz OBWZEGIGBVORQM-LSDHHAIUSA-N 1 3 317.502 4.067 20 0 DIADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)c2cc3ccncc3s2)C1 ZINC000657872565 1039954368 /nfs/dbraw/zinc/95/43/68/1039954368.db2.gz OBWZEGIGBVORQM-LSDHHAIUSA-N 1 3 317.502 4.067 20 0 DIADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)c2cc3ccncc3s2)C1 ZINC000657872565 1039954380 /nfs/dbraw/zinc/95/43/80/1039954380.db2.gz OBWZEGIGBVORQM-LSDHHAIUSA-N 1 3 317.502 4.067 20 0 DIADHO Cc1cccc(C)c1CNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708563603 1040082557 /nfs/dbraw/zinc/08/25/57/1040082557.db2.gz ZSUWPEYTRVKGFK-TZIWHRDSSA-N 1 3 322.496 4.161 20 0 DIADHO Cc1cccc(C)c1CNC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000708563603 1040082580 /nfs/dbraw/zinc/08/25/80/1040082580.db2.gz ZSUWPEYTRVKGFK-TZIWHRDSSA-N 1 3 322.496 4.161 20 0 DIADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000708563603 1040082598 /nfs/dbraw/zinc/08/25/98/1040082598.db2.gz ZSUWPEYTRVKGFK-TZIWHRDSSA-N 1 3 322.496 4.161 20 0 DIADHO Cc1sccc1C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309737209 1040091170 /nfs/dbraw/zinc/09/11/70/1040091170.db2.gz USNRVRDYMITYPE-BEFAXECRSA-N 1 3 314.498 4.057 20 0 DIADHO C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C(C)(C)C(F)F ZINC000657896669 1040091530 /nfs/dbraw/zinc/09/15/30/1040091530.db2.gz APXANCJKOZXPTP-ZDUSSCGKSA-N 1 3 302.453 4.053 20 0 DIADHO C[C@@H](N[C@@H](C)c1cccs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309751917 1040093276 /nfs/dbraw/zinc/09/32/76/1040093276.db2.gz ZRHOUEDQSMSNED-SOLBZPMBSA-N 1 3 314.498 4.309 20 0 DIADHO C[C@@H](N[C@@H](C)c1cccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309751917 1040093297 /nfs/dbraw/zinc/09/32/97/1040093297.db2.gz ZRHOUEDQSMSNED-SOLBZPMBSA-N 1 3 314.498 4.309 20 0 DIADHO CC[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C1CC1 ZINC000309991087 1040103670 /nfs/dbraw/zinc/10/36/70/1040103670.db2.gz ZYAZUOOEKFOPGZ-QUCCMNQESA-N 1 3 300.490 4.067 20 0 DIADHO C[C@@H](CC1CC1)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000309967464 1040103959 /nfs/dbraw/zinc/10/39/59/1040103959.db2.gz LTDOGYFNQAYQBY-FXAWDEMLSA-N 1 3 300.490 4.067 20 0 DIADHO Cc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000310069758 1040106636 /nfs/dbraw/zinc/10/66/36/1040106636.db2.gz CVVJJWZINBUHLO-UGKGYDQZSA-N 1 3 320.480 4.094 20 0 DIADHO Cc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000310069758 1040106650 /nfs/dbraw/zinc/10/66/50/1040106650.db2.gz CVVJJWZINBUHLO-UGKGYDQZSA-N 1 3 320.480 4.094 20 0 DIADHO CCC[NH+]1CCC(N[C@@H](C)c2cc3ccccc3s2)CC1 ZINC000223361124 1040239190 /nfs/dbraw/zinc/23/91/90/1040239190.db2.gz AUVCLQUWGNRZJN-AWEZNQCLSA-N 1 3 302.487 4.426 20 0 DIADHO CCC[C@H](C)[C@@H](CC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164724 1040339283 /nfs/dbraw/zinc/33/92/83/1040339283.db2.gz FCXCEKUUVVHSEN-FXAWDEMLSA-N 1 3 317.521 4.098 20 0 DIADHO C[C@@H](N[C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccc(F)c(F)c1 ZINC000924533137 1040519579 /nfs/dbraw/zinc/51/95/79/1040519579.db2.gz VUYPKOCBJOQYQF-UONOGXRCSA-N 1 3 318.411 4.438 20 0 DIADHO C[C@@H](CSC(C)(C)C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000178159025 1040968052 /nfs/dbraw/zinc/96/80/52/1040968052.db2.gz WQQAAUPDRRBQNW-HNNXBMFYSA-N 1 3 312.567 4.151 20 0 DIADHO C[C@@H](CSC(C)(C)C)NC1CC[NH+](CC2CCCC2)CC1 ZINC000178159025 1040968068 /nfs/dbraw/zinc/96/80/68/1040968068.db2.gz WQQAAUPDRRBQNW-HNNXBMFYSA-N 1 3 312.567 4.151 20 0 DIADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCSc3c(F)cccc32)cc1 ZINC000423292286 1041213610 /nfs/dbraw/zinc/21/36/10/1041213610.db2.gz MJODRANLCCLRLQ-SJCJKPOMSA-N 1 3 316.445 4.172 20 0 DIADHO Cc1cc(CN(C)Cc2ccc(C[NH+](C)C)cc2)c(C)s1 ZINC000809739093 1041241280 /nfs/dbraw/zinc/24/12/80/1041241280.db2.gz XHGWDRFJKSYQBX-UHFFFAOYSA-N 1 3 302.487 4.059 20 0 DIADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121051 1041325674 /nfs/dbraw/zinc/32/56/74/1041325674.db2.gz MPRHGPCRNRKDRK-HIFRSBDPSA-N 1 3 323.550 4.132 20 0 DIADHO CCSc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121326 1041337410 /nfs/dbraw/zinc/33/74/10/1041337410.db2.gz TZPKYLKXPQEJNN-HZPDHXFCSA-N 1 3 306.519 4.181 20 0 DIADHO C[C@H](CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)N1CCCCC1 ZINC000417347257 1041663174 /nfs/dbraw/zinc/66/31/74/1041663174.db2.gz VPUXZSNBYCVVTP-LTIDMASMSA-N 1 3 306.519 4.094 20 0 DIADHO Fc1ccc(-c2ccc(C[NH2+]CCCN3CCCC3)s2)cc1 ZINC000662169539 1042077407 /nfs/dbraw/zinc/07/74/07/1042077407.db2.gz PNUFHPHVYCISDR-UHFFFAOYSA-N 1 3 318.461 4.130 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C(C1CCCC1)C1CCCC1 ZINC000817895670 1042128186 /nfs/dbraw/zinc/12/81/86/1042128186.db2.gz WSCZLQUEVLHUMJ-HNNXBMFYSA-N 1 3 315.505 4.248 20 0 DIADHO CCSc1ccccc1[C@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817950288 1042130740 /nfs/dbraw/zinc/13/07/40/1042130740.db2.gz XZOPRFPTNARODU-HNNXBMFYSA-N 1 3 314.498 4.151 20 0 DIADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170896768 1042145961 /nfs/dbraw/zinc/14/59/61/1042145961.db2.gz IZXIBQBFBGYLRV-RDJZCZTQSA-N 1 3 320.908 4.051 20 0 DIADHO c1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCCN(CC3CC3)C2)cc1 ZINC000663467864 1042179373 /nfs/dbraw/zinc/17/93/73/1042179373.db2.gz IIWHWGPSNWGEEJ-HLAWJBBLSA-N 1 3 312.501 4.034 20 0 DIADHO CC[NH+](CC)CCC[C@@H](C)N1CCc2cc(Cl)ccc2C1 ZINC001167833462 1042235276 /nfs/dbraw/zinc/23/52/76/1042235276.db2.gz BLPPODMCZCDVJD-OAHLLOKOSA-N 1 3 308.897 4.209 20 0 DIADHO CC(C)CN1CCC([NH2+][C@@H](C)c2ccc(Cl)s2)CC1 ZINC000124059112 1042272102 /nfs/dbraw/zinc/27/21/02/1042272102.db2.gz PMWJTXQSWPCAFL-LBPRGKRZSA-N 1 3 300.899 4.173 20 0 DIADHO C[C@@H](NC1(c2ccc(F)cc2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925847644 1042348632 /nfs/dbraw/zinc/34/86/32/1042348632.db2.gz SVSRUQVIGQCFQW-OAHLLOKOSA-N 1 3 312.432 4.227 20 0 DIADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000391482864 1042375216 /nfs/dbraw/zinc/37/52/16/1042375216.db2.gz RGOHZNOUUMCSGV-XGHQBKJUSA-N 1 3 308.469 4.487 20 0 DIADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000391482864 1042375219 /nfs/dbraw/zinc/37/52/19/1042375219.db2.gz RGOHZNOUUMCSGV-XGHQBKJUSA-N 1 3 308.469 4.487 20 0 DIADHO Cc1cccc(C)c1-c1cccc(C[N@@H+]2CCCC[C@@H]2CN)c1 ZINC001204932165 1042495214 /nfs/dbraw/zinc/49/52/14/1042495214.db2.gz HNJKDOXCLGKCQA-HXUWFJFHSA-N 1 3 308.469 4.284 20 0 DIADHO Cc1cccc(C)c1-c1cccc(C[N@H+]2CCCC[C@@H]2CN)c1 ZINC001204932165 1042495216 /nfs/dbraw/zinc/49/52/16/1042495216.db2.gz HNJKDOXCLGKCQA-HXUWFJFHSA-N 1 3 308.469 4.284 20 0 DIADHO C[C@H]1CCCC[N@@H+]1CCCCN[C@H]1CCc2c1c(F)ccc2F ZINC000513524457 1042549601 /nfs/dbraw/zinc/54/96/01/1042549601.db2.gz GWQOYJWTLPDNLD-KSSFIOAISA-N 1 3 322.443 4.196 20 0 DIADHO C[C@H]1CCCC[N@H+]1CCCCN[C@H]1CCc2c1c(F)ccc2F ZINC000513524457 1042549606 /nfs/dbraw/zinc/54/96/06/1042549606.db2.gz GWQOYJWTLPDNLD-KSSFIOAISA-N 1 3 322.443 4.196 20 0 DIADHO CC1CC[NH+](CCCCN[C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000513527700 1042551026 /nfs/dbraw/zinc/55/10/26/1042551026.db2.gz UUHQWRIXRFQDLQ-GOSISDBHSA-N 1 3 322.443 4.054 20 0 DIADHO CC(C)CC[NH+]1CCC(CN[C@@H](C)c2ccncc2Cl)CC1 ZINC000421839034 1042658963 /nfs/dbraw/zinc/65/89/63/1042658963.db2.gz WFLLGKITYJLIFN-HNNXBMFYSA-N 1 3 323.912 4.144 20 0 DIADHO C[C@@H](N[C@H](C)C1C[NH2+]C1)c1ccccc1-c1ccc(Cl)cc1 ZINC000422758474 1042689139 /nfs/dbraw/zinc/68/91/39/1042689139.db2.gz DWYNOVQKNBYZJI-ZIAGYGMSSA-N 1 3 314.860 4.266 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000422769366 1042689918 /nfs/dbraw/zinc/68/99/18/1042689918.db2.gz OTHPVQLNDBTCIP-HUUCEWRRSA-N 1 3 323.484 4.139 20 0 DIADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Sc1ccccc1 ZINC000422781584 1042690181 /nfs/dbraw/zinc/69/01/81/1042690181.db2.gz FJJSJFFKMHBPQI-OQIJWPOYSA-N 1 3 318.530 4.068 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000422825724 1042691049 /nfs/dbraw/zinc/69/10/49/1042691049.db2.gz AWDUZAYQCVYHGQ-DNVCBOLYSA-N 1 3 311.473 4.287 20 0 DIADHO [NH3+][C@@H]1C[C@H](NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c2ccccc21 ZINC000422844883 1042691321 /nfs/dbraw/zinc/69/13/21/1042691321.db2.gz ANDZAKSAHAOYNI-OJDYBEQGSA-N 1 3 312.379 4.090 20 0 DIADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c2ccccc21 ZINC000422844882 1042691692 /nfs/dbraw/zinc/69/16/92/1042691692.db2.gz ANDZAKSAHAOYNI-KOZAUXTDSA-N 1 3 312.379 4.090 20 0 DIADHO CC(C)[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000422996227 1042695216 /nfs/dbraw/zinc/69/52/16/1042695216.db2.gz LKIYPYHKKKTQTG-JKSUJKDBSA-N 1 3 314.395 4.134 20 0 DIADHO c1ccc(-c2ccc3c(c2)[C@@H](N[C@@H]2CCC[NH2+]CC2)CC3)cc1 ZINC000423057827 1042695955 /nfs/dbraw/zinc/69/59/55/1042695955.db2.gz AWZKXQHWSMHJDH-CTNGQTDRSA-N 1 3 306.453 4.073 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000423039214 1042695963 /nfs/dbraw/zinc/69/59/63/1042695963.db2.gz DZCZFUFTFBXTLN-KKSFZXQISA-N 1 3 323.484 4.431 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C(C)C)CC1 ZINC000423052199 1042696833 /nfs/dbraw/zinc/69/68/33/1042696833.db2.gz QBZWREBPWHSXIA-BHYGNILZSA-N 1 3 303.494 4.104 20 0 DIADHO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(F)c2ccccc21 ZINC000423133128 1042698799 /nfs/dbraw/zinc/69/87/99/1042698799.db2.gz VMLXZNQZWUDETP-SOUVJXGZSA-N 1 3 300.421 4.018 20 0 DIADHO CSc1ccc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1F ZINC000423290410 1042704409 /nfs/dbraw/zinc/70/44/09/1042704409.db2.gz CVMMGGIPVOXDBY-STQMWFEESA-N 1 3 318.461 4.418 20 0 DIADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1nccc2ccccc21 ZINC000423291334 1042704479 /nfs/dbraw/zinc/70/44/79/1042704479.db2.gz HWQNDRQDAYHZAO-LSDHHAIUSA-N 1 3 305.425 4.105 20 0 DIADHO CC[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1cc(C)ccc1OC ZINC000423293971 1042706166 /nfs/dbraw/zinc/70/61/66/1042706166.db2.gz SRZIXMZKMBBJKO-DNVCBOLYSA-N 1 3 312.457 4.264 20 0 DIADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)c(Cl)c1 ZINC000423362847 1042708264 /nfs/dbraw/zinc/70/82/64/1042708264.db2.gz TZURLVAXCOMDPH-LLVKDONJSA-N 1 3 321.251 4.447 20 0 DIADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CCN1 ZINC000423367313 1042708277 /nfs/dbraw/zinc/70/82/77/1042708277.db2.gz AEGDCDSGHUFQEI-LFVTVUPYSA-N 1 3 306.881 4.096 20 0 DIADHO CC(C)[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(F)c(F)c1 ZINC000423367417 1042708528 /nfs/dbraw/zinc/70/85/28/1042708528.db2.gz CKTBRYXLBBWPBU-LJQANCHMSA-N 1 3 316.395 4.055 20 0 DIADHO CC[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)s1 ZINC000423391125 1042709490 /nfs/dbraw/zinc/70/94/90/1042709490.db2.gz PIZRWGNMRYNRSU-CQSZACIVSA-N 1 3 306.862 4.246 20 0 DIADHO Cc1ccsc1[C@H](Cc1ccccc1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423382311 1042709677 /nfs/dbraw/zinc/70/96/77/1042709677.db2.gz OVDMGVFULGORJL-NXHRZFHOSA-N 1 3 314.498 4.070 20 0 DIADHO C[C@@H](N[C@@H](C)CCCC[NH3+])c1csc(-c2ccccc2F)n1 ZINC000423427107 1042713711 /nfs/dbraw/zinc/71/37/11/1042713711.db2.gz IDVLJZZEZKJSOU-QWHCGFSZSA-N 1 3 321.465 4.117 20 0 DIADHO C[C@H](NCCC[C@H]1CCC[NH2+]1)c1cc(Cl)sc1Cl ZINC000423481311 1042714677 /nfs/dbraw/zinc/71/46/77/1042714677.db2.gz NZSGCJPWEOVYRP-UWVGGRQHSA-N 1 3 307.290 4.238 20 0 DIADHO COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424379705 1042739024 /nfs/dbraw/zinc/73/90/24/1042739024.db2.gz VYQCXARILJSMGT-CDHQVMDDSA-N 1 3 324.468 4.283 20 0 DIADHO CN(Cc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000513976095 1042765100 /nfs/dbraw/zinc/76/51/00/1042765100.db2.gz QCQPXIBUBJUKBP-NRFANRHFSA-N 1 3 308.469 4.173 20 0 DIADHO CN(Cc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000513976095 1042765105 /nfs/dbraw/zinc/76/51/05/1042765105.db2.gz QCQPXIBUBJUKBP-NRFANRHFSA-N 1 3 308.469 4.173 20 0 DIADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CCC[C@@H]3CCCC[C@H]31)C2 ZINC001167968570 1042956837 /nfs/dbraw/zinc/95/68/37/1042956837.db2.gz RQHBLCBTIJDUTA-SXIALBCKSA-N 1 3 316.533 4.340 20 0 DIADHO CN(CCCc1ccc(Cl)cc1)CC[C@H]1CCCC[N@@H+]1C ZINC000441359282 1043038010 /nfs/dbraw/zinc/03/80/10/1043038010.db2.gz QWZWZAUCRSJJKY-GOSISDBHSA-N 1 3 308.897 4.079 20 0 DIADHO CN(CCCc1ccc(Cl)cc1)CC[C@H]1CCCC[N@H+]1C ZINC000441359282 1043038012 /nfs/dbraw/zinc/03/80/12/1043038012.db2.gz QWZWZAUCRSJJKY-GOSISDBHSA-N 1 3 308.897 4.079 20 0 DIADHO Cc1ccc2c(c1)CC[C@H]2NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000794827913 1043067439 /nfs/dbraw/zinc/06/74/39/1043067439.db2.gz MBGRMVYOVVQCOX-SIKLNZKXSA-N 1 3 320.480 4.094 20 0 DIADHO Cc1ccc2c(c1)CC[C@H]2NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794827913 1043067449 /nfs/dbraw/zinc/06/74/49/1043067449.db2.gz MBGRMVYOVVQCOX-SIKLNZKXSA-N 1 3 320.480 4.094 20 0 DIADHO C[C@H](NC1CC[NH+](C)CC1)c1cccc(SC(F)(F)F)c1 ZINC000866217175 1043160697 /nfs/dbraw/zinc/16/06/97/1043160697.db2.gz DIZAJRFZDBMBPA-NSHDSACASA-N 1 3 318.408 4.043 20 0 DIADHO CCC[C@H](NC1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000184833739 1043190284 /nfs/dbraw/zinc/19/02/84/1043190284.db2.gz KOFRRUVQSPOPOQ-NRFANRHFSA-N 1 3 323.484 4.177 20 0 DIADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](c2ccc(C)cc2)C2CCC2)C1 ZINC000427610538 1043242999 /nfs/dbraw/zinc/24/29/99/1043242999.db2.gz VHSPOAGBURPGIW-FXAWDEMLSA-N 1 3 300.490 4.158 20 0 DIADHO CCC[N@H+]1CC[C@@H](CN[C@@H](c2ccc(C)cc2)C2CCC2)C1 ZINC000427610538 1043243010 /nfs/dbraw/zinc/24/30/10/1043243010.db2.gz VHSPOAGBURPGIW-FXAWDEMLSA-N 1 3 300.490 4.158 20 0 DIADHO CCCN1CC[C@@H](C[NH2+][C@@H](c2ccc(C)cc2)C2CCC2)C1 ZINC000427610538 1043243024 /nfs/dbraw/zinc/24/30/24/1043243024.db2.gz VHSPOAGBURPGIW-FXAWDEMLSA-N 1 3 300.490 4.158 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000665233956 1043291628 /nfs/dbraw/zinc/29/16/28/1043291628.db2.gz URHZJZNMBVZVST-MAUKXSAKSA-N 1 3 301.478 4.002 20 0 DIADHO Cc1cc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1-c1ccccc1 ZINC000427862915 1043311993 /nfs/dbraw/zinc/31/19/93/1043311993.db2.gz IPDMOXWCQYXBHN-UTKZUKDTSA-N 1 3 308.469 4.092 20 0 DIADHO Cc1cc(CN[C@H]2CC[N@H+](C)C[C@H]2C)ccc1-c1ccccc1 ZINC000427862915 1043312000 /nfs/dbraw/zinc/31/20/00/1043312000.db2.gz IPDMOXWCQYXBHN-UTKZUKDTSA-N 1 3 308.469 4.092 20 0 DIADHO CC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000268936996 1043344113 /nfs/dbraw/zinc/34/41/13/1043344113.db2.gz YYDPBEATZDFNQU-QMMLZNLJSA-N 1 3 323.484 4.175 20 0 DIADHO CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000268936996 1043344127 /nfs/dbraw/zinc/34/41/27/1043344127.db2.gz YYDPBEATZDFNQU-QMMLZNLJSA-N 1 3 323.484 4.175 20 0 DIADHO CC[C@@H](CCC(F)(F)F)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000872041975 1043433656 /nfs/dbraw/zinc/43/36/56/1043433656.db2.gz YJOYPNSXBNKRFN-AWEZNQCLSA-N 1 3 320.443 4.494 20 0 DIADHO C[C@H]([NH2+]C1CCC(C(F)F)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000442839795 1043434732 /nfs/dbraw/zinc/43/47/32/1043434732.db2.gz YEPOLZCPJMAHAK-JWMHWRSXSA-N 1 3 314.464 4.053 20 0 DIADHO CC[C@H](CCC(F)(F)F)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000872060443 1043443181 /nfs/dbraw/zinc/44/31/81/1043443181.db2.gz QBAUAASKJUTJEU-RBSFLKMASA-N 1 3 320.443 4.350 20 0 DIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCCC(C)(C)[NH3+] ZINC000925739859 1043460396 /nfs/dbraw/zinc/46/03/96/1043460396.db2.gz ALNJCNYTIZYTNU-NSHDSACASA-N 1 3 321.465 4.036 20 0 DIADHO CC(C)CCN1CCC([NH2+]CCC2CC(OC(C)(C)C)C2)CC1 ZINC000926288064 1043558012 /nfs/dbraw/zinc/55/80/12/1043558012.db2.gz YZFRBOCPDOLEMC-UHFFFAOYSA-N 1 3 324.553 4.070 20 0 DIADHO Cc1occc1C[NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168019229 1043566559 /nfs/dbraw/zinc/56/65/59/1043566559.db2.gz HPHHVMFABQGLID-HZPDHXFCSA-N 1 3 312.457 4.119 20 0 DIADHO Cc1ccccc1C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccco1 ZINC000926538826 1043597550 /nfs/dbraw/zinc/59/75/50/1043597550.db2.gz CQGPXUONCTZQRJ-RAFMOHDBSA-N 1 3 324.468 4.087 20 0 DIADHO CCC[C@@H](NCCCC[N@H+](C)C1CC1)c1ncccc1Cl ZINC000926558411 1043599758 /nfs/dbraw/zinc/59/97/58/1043599758.db2.gz IEZHTZRQZHWMEB-MRXNPFEDSA-N 1 3 309.885 4.040 20 0 DIADHO CCC[C@@H](NCCCC[N@@H+](C)C1CC1)c1ncccc1Cl ZINC000926558411 1043599763 /nfs/dbraw/zinc/59/97/63/1043599763.db2.gz IEZHTZRQZHWMEB-MRXNPFEDSA-N 1 3 309.885 4.040 20 0 DIADHO C[C@H](NCc1ccc2occc2c1)c1cccc(C[NH+](C)C)c1 ZINC000926686710 1043616962 /nfs/dbraw/zinc/61/69/62/1043616962.db2.gz YVRFFYNWTLRTPQ-HNNXBMFYSA-N 1 3 308.425 4.345 20 0 DIADHO C[C@H]1C[C@H]([NH2+]CC2(CN(C)C)CCCC2)c2ccsc2S1 ZINC000355055162 1043742542 /nfs/dbraw/zinc/74/25/42/1043742542.db2.gz DDGGZIUZRVMTBI-ZFWWWQNUSA-N 1 3 324.559 4.385 20 0 DIADHO C[C@H]([NH2+]CC[C@H]1CCCC1(F)F)[C@H]1CCCN(C2CCC2)C1 ZINC000878412701 1043886263 /nfs/dbraw/zinc/88/62/63/1043886263.db2.gz ZODHWLYMFSPGCO-HRCADAONSA-N 1 3 314.464 4.055 20 0 DIADHO CC(C)[C@H](C[NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccccc1 ZINC000474713745 1043895638 /nfs/dbraw/zinc/89/56/38/1043895638.db2.gz PXZDOTRDVVRBOI-ICSRJNTNSA-N 1 3 302.506 4.136 20 0 DIADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CCCCC1 ZINC000474729814 1043904389 /nfs/dbraw/zinc/90/43/89/1043904389.db2.gz GUDGEZOTJRTLRC-QUCCMNQESA-N 1 3 314.517 4.109 20 0 DIADHO C[NH+](C)Cc1ccc(CN[C@H]2CCCc3ccc(F)cc32)cc1 ZINC000357355596 1043943665 /nfs/dbraw/zinc/94/36/65/1043943665.db2.gz NZNXRCZZULZLHN-FQEVSTJZSA-N 1 3 312.432 4.055 20 0 DIADHO C[NH+](C)CC[C@@H](NC1CCC(=C2CCC2)CC1)c1cccnc1 ZINC000896717920 1043992589 /nfs/dbraw/zinc/99/25/89/1043992589.db2.gz YGJJZVFWCUTTBO-HXUWFJFHSA-N 1 3 313.489 4.087 20 0 DIADHO CCC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000358054983 1044011828 /nfs/dbraw/zinc/01/18/28/1044011828.db2.gz BIRHGJALKYCUAR-NSHGMRRFSA-N 1 3 318.505 4.007 20 0 DIADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000443854999 1044040162 /nfs/dbraw/zinc/04/01/62/1044040162.db2.gz OZUCROAYMGLHML-JRBPQWBISA-N 1 3 304.522 4.221 20 0 DIADHO C[C@H](N[C@H]1CCCc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358475836 1044074517 /nfs/dbraw/zinc/07/45/17/1044074517.db2.gz WLIQCZZECXTJNC-MDKPJZGXSA-N 1 3 312.501 4.307 20 0 DIADHO C[C@H](N[C@H]1CCCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358475836 1044074535 /nfs/dbraw/zinc/07/45/35/1044074535.db2.gz WLIQCZZECXTJNC-MDKPJZGXSA-N 1 3 312.501 4.307 20 0 DIADHO C[C@H]([NH2+][C@H]1CCCc2ccccc21)[C@H]1CCCN(C2CCC2)C1 ZINC000358475836 1044074549 /nfs/dbraw/zinc/07/45/49/1044074549.db2.gz WLIQCZZECXTJNC-MDKPJZGXSA-N 1 3 312.501 4.307 20 0 DIADHO CC[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)c1cccc(OC)c1 ZINC000346872285 1044167428 /nfs/dbraw/zinc/16/74/28/1044167428.db2.gz XJTNNDDWDXSYDG-QFBILLFUSA-N 1 3 304.478 4.000 20 0 DIADHO Cc1ccc(-c2ccc(CN3CCCC34CC[NH+](C)CC4)o2)cc1 ZINC000475124902 1044280159 /nfs/dbraw/zinc/28/01/59/1044280159.db2.gz LEVJAEIXCHFQJM-UHFFFAOYSA-N 1 3 324.468 4.315 20 0 DIADHO Cc1ccc(-c2ccc(C[N@H+]3CCCC34CCN(C)CC4)o2)cc1 ZINC000475124902 1044280174 /nfs/dbraw/zinc/28/01/74/1044280174.db2.gz LEVJAEIXCHFQJM-UHFFFAOYSA-N 1 3 324.468 4.315 20 0 DIADHO Cc1ccc(-c2ccc(C[N@@H+]3CCCC34CCN(C)CC4)o2)cc1 ZINC000475124902 1044280176 /nfs/dbraw/zinc/28/01/76/1044280176.db2.gz LEVJAEIXCHFQJM-UHFFFAOYSA-N 1 3 324.468 4.315 20 0 DIADHO C[C@@H](C[N@@H+]1CCCC12CCN(C)CC2)c1cccc(Cl)c1 ZINC000475130726 1044281741 /nfs/dbraw/zinc/28/17/41/1044281741.db2.gz PAUAUKGDWNMKJI-HNNXBMFYSA-N 1 3 306.881 4.004 20 0 DIADHO C[C@@H](C[N@H+]1CCCC12CCN(C)CC2)c1cccc(Cl)c1 ZINC000475130726 1044281752 /nfs/dbraw/zinc/28/17/52/1044281752.db2.gz PAUAUKGDWNMKJI-HNNXBMFYSA-N 1 3 306.881 4.004 20 0 DIADHO Clc1ccc(CC2(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000293780261 1044327176 /nfs/dbraw/zinc/32/71/76/1044327176.db2.gz TVTXDUSABDEVPV-ZWKOTPCHSA-N 1 3 318.892 4.022 20 0 DIADHO Clc1ccc(CC2(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000293780261 1044327187 /nfs/dbraw/zinc/32/71/87/1044327187.db2.gz TVTXDUSABDEVPV-ZWKOTPCHSA-N 1 3 318.892 4.022 20 0 DIADHO C/C(=C\c1ccc(Cl)cc1)CNCC[N@@H+]1CCC(C)(C)C1 ZINC001204001606 1044354403 /nfs/dbraw/zinc/35/44/03/1044354403.db2.gz AASLXTUJNOVBRW-NTCAYCPXSA-N 1 3 306.881 4.065 20 0 DIADHO C/C(=C\c1ccc(Cl)cc1)CNCC[N@H+]1CCC(C)(C)C1 ZINC001204001606 1044354417 /nfs/dbraw/zinc/35/44/17/1044354417.db2.gz AASLXTUJNOVBRW-NTCAYCPXSA-N 1 3 306.881 4.065 20 0 DIADHO CC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000361765837 1044441075 /nfs/dbraw/zinc/44/10/75/1044441075.db2.gz LMRAYKHUBZSJGM-DZFGPLHGSA-N 1 3 323.484 4.033 20 0 DIADHO CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000361765837 1044441083 /nfs/dbraw/zinc/44/10/83/1044441083.db2.gz LMRAYKHUBZSJGM-DZFGPLHGSA-N 1 3 323.484 4.033 20 0 DIADHO C/C(=C\c1cccc(C(F)(F)F)c1)CN[C@@H](C)CC[NH+](C)C ZINC000565679045 1044450054 /nfs/dbraw/zinc/45/00/54/1044450054.db2.gz RSUQZMCITKNSLK-UELRPHRMSA-N 1 3 314.395 4.039 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000566587744 1044501079 /nfs/dbraw/zinc/50/10/79/1044501079.db2.gz FNJBFTCLAIOGEW-OWCLPIDISA-N 1 3 308.897 4.152 20 0 DIADHO Cc1nc(C2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)[nH]c1C ZINC000884707797 1044552100 /nfs/dbraw/zinc/55/21/00/1044552100.db2.gz ZONXUFVLUILACA-UHFFFAOYSA-N 1 3 324.403 4.098 20 0 DIADHO CN(C)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000444691554 1044606868 /nfs/dbraw/zinc/60/68/68/1044606868.db2.gz JSDZTNSNGYFGJM-LJQANCHMSA-N 1 3 314.498 4.331 20 0 DIADHO CN(C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000444691554 1044606875 /nfs/dbraw/zinc/60/68/75/1044606875.db2.gz JSDZTNSNGYFGJM-LJQANCHMSA-N 1 3 314.498 4.331 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000568329661 1044617061 /nfs/dbraw/zinc/61/70/61/1044617061.db2.gz AVZFMJWJDWWNQH-OXQOHEQNSA-N 1 3 316.464 4.082 20 0 DIADHO C[C@@H](c1ccc(Oc2ccccc2)cc1)[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000445315725 1044700853 /nfs/dbraw/zinc/70/08/53/1044700853.db2.gz IVJAKSDGQLWYPE-ROUUACIJSA-N 1 3 324.468 4.423 20 0 DIADHO C[C@@H](c1ccc(Oc2ccccc2)cc1)[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000445315725 1044700869 /nfs/dbraw/zinc/70/08/69/1044700869.db2.gz IVJAKSDGQLWYPE-ROUUACIJSA-N 1 3 324.468 4.423 20 0 DIADHO CCN(Cc1ccncc1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411414939 1045005235 /nfs/dbraw/zinc/00/52/35/1045005235.db2.gz AYZUNFYZGVAWQU-UHFFFAOYSA-N 1 3 323.484 4.090 20 0 DIADHO Cc1ccc([C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CCCC2)cc1 ZINC000446748890 1045028620 /nfs/dbraw/zinc/02/86/20/1045028620.db2.gz VBEXYJOQTGGNMO-PWRODBHTSA-N 1 3 312.501 4.443 20 0 DIADHO Cc1ccc([C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCCC2)cc1 ZINC000446748890 1045028636 /nfs/dbraw/zinc/02/86/36/1045028636.db2.gz VBEXYJOQTGGNMO-PWRODBHTSA-N 1 3 312.501 4.443 20 0 DIADHO C[NH+](C)Cc1ccc(-c2ccccc2CNCC2(F)CC2)cc1 ZINC000527514311 1045233329 /nfs/dbraw/zinc/23/33/29/1045233329.db2.gz UAOBMZKKCIQGRH-UHFFFAOYSA-N 1 3 312.432 4.007 20 0 DIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc3cc[nH]c3c2)c1 ZINC000527645098 1045244594 /nfs/dbraw/zinc/24/45/94/1045244594.db2.gz APJQCWZZSIXEIL-UHFFFAOYSA-N 1 3 321.468 4.298 20 0 DIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc3cc[nH]c3c2)c1 ZINC000527645098 1045244600 /nfs/dbraw/zinc/24/46/00/1045244600.db2.gz APJQCWZZSIXEIL-UHFFFAOYSA-N 1 3 321.468 4.298 20 0 DIADHO CCN1CC[C@@H](C[NH2+]Cc2ccccc2-c2ccccc2C)C1 ZINC000449090755 1045348623 /nfs/dbraw/zinc/34/86/23/1045348623.db2.gz NWCDBRWRWRXVMQ-SFHVURJKSA-N 1 3 308.469 4.093 20 0 DIADHO CC[N@@H+]1CC[C@@H](CNCc2ccccc2-c2ccccc2C)C1 ZINC000449090755 1045348628 /nfs/dbraw/zinc/34/86/28/1045348628.db2.gz NWCDBRWRWRXVMQ-SFHVURJKSA-N 1 3 308.469 4.093 20 0 DIADHO CC[N@H+]1CC[C@@H](CNCc2ccccc2-c2ccccc2C)C1 ZINC000449090755 1045348634 /nfs/dbraw/zinc/34/86/34/1045348634.db2.gz NWCDBRWRWRXVMQ-SFHVURJKSA-N 1 3 308.469 4.093 20 0 DIADHO CCO[C@@H]1CCC[C@H]1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449756679 1045434398 /nfs/dbraw/zinc/43/43/98/1045434398.db2.gz QMDSDMDHONGCLC-QZTJIDSGSA-N 1 3 324.553 4.213 20 0 DIADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1cc2cccc(F)c2o1 ZINC000530394402 1045656139 /nfs/dbraw/zinc/65/61/39/1045656139.db2.gz JFFLIDCRWICHKP-UKRRQHHQSA-N 1 3 304.409 4.097 20 0 DIADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1cc2cccc(F)c2o1 ZINC000530394403 1045657133 /nfs/dbraw/zinc/65/71/33/1045657133.db2.gz JFFLIDCRWICHKP-ZFWWWQNUSA-N 1 3 304.409 4.097 20 0 DIADHO Cc1cc(C[N@@H+]2CCCC[C@H]2CCN2CCCC2)c(C)s1 ZINC001138567406 1045663242 /nfs/dbraw/zinc/66/32/42/1045663242.db2.gz ABHOZNXRQDZOLX-SFHVURJKSA-N 1 3 306.519 4.205 20 0 DIADHO Cc1cc(C[N@H+]2CCCC[C@H]2CCN2CCCC2)c(C)s1 ZINC001138567406 1045663247 /nfs/dbraw/zinc/66/32/47/1045663247.db2.gz ABHOZNXRQDZOLX-SFHVURJKSA-N 1 3 306.519 4.205 20 0 DIADHO CC(C)CCO[C@H]1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000629531164 1045675824 /nfs/dbraw/zinc/67/58/24/1045675824.db2.gz CBIAUJQEYRRSQB-CPLUKWAASA-N 1 3 316.489 4.095 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000629531929 1045676843 /nfs/dbraw/zinc/67/68/43/1045676843.db2.gz FDJJMEYOBLXJJQ-NQERJWCQSA-N 1 3 323.484 4.384 20 0 DIADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1(C(F)(F)F)CCCC1 ZINC000629550938 1045678122 /nfs/dbraw/zinc/67/81/22/1045678122.db2.gz QEBSHKHZRRSEOK-KGLIPLIRSA-N 1 3 306.416 4.010 20 0 DIADHO COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1C ZINC000753656325 1045784292 /nfs/dbraw/zinc/78/42/92/1045784292.db2.gz ZZCOVEDDJBWJCE-ROUUACIJSA-N 1 3 318.505 4.083 20 0 DIADHO COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1C ZINC000753656321 1045784488 /nfs/dbraw/zinc/78/44/88/1045784488.db2.gz ZZCOVEDDJBWJCE-MSOLQXFVSA-N 1 3 318.505 4.083 20 0 DIADHO COc1ccc([C@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1Cl ZINC000531688296 1045892404 /nfs/dbraw/zinc/89/24/04/1045892404.db2.gz JNAWCPLUSNQGGT-AWEZNQCLSA-N 1 3 324.896 4.120 20 0 DIADHO C[C@H](NCCCCC[NH+]1CCCCC1)c1ccc(F)cc1F ZINC000531717309 1045910653 /nfs/dbraw/zinc/91/06/53/1045910653.db2.gz BAFONENMJHJVBK-HNNXBMFYSA-N 1 3 310.432 4.272 20 0 DIADHO Cc1ccsc1CN[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902314878 1045973067 /nfs/dbraw/zinc/97/30/67/1045973067.db2.gz HTLBYCUGKNVINV-INIZCTEOSA-N 1 3 324.440 4.295 20 0 DIADHO Cc1csc(CN[C@H](CCCC[NH3+])c2ccc(F)cc2F)c1 ZINC000902387736 1045988723 /nfs/dbraw/zinc/98/87/23/1045988723.db2.gz KZMWRZCBXMXEEN-QGZVFWFLSA-N 1 3 324.440 4.295 20 0 DIADHO C[C@@H]1C[C@@H](N[C@H](c2ccc(F)c(Cl)c2)C2CC2)CC[N@@H+]1C ZINC000453308372 1046027683 /nfs/dbraw/zinc/02/76/83/1046027683.db2.gz DLRURMMQQLYQHB-WHCBVINPSA-N 1 3 310.844 4.003 20 0 DIADHO C[C@@H]1C[C@@H](N[C@H](c2ccc(F)c(Cl)c2)C2CC2)CC[N@H+]1C ZINC000453308372 1046027697 /nfs/dbraw/zinc/02/76/97/1046027697.db2.gz DLRURMMQQLYQHB-WHCBVINPSA-N 1 3 310.844 4.003 20 0 DIADHO C[C@@H](Cc1ccccc1Cl)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903083025 1046158545 /nfs/dbraw/zinc/15/85/45/1046158545.db2.gz YYSNIZBTMXEWEL-ZVRJUHEZSA-N 1 3 318.892 4.018 20 0 DIADHO C[C@@H](Cc1ccccc1Cl)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903083025 1046158549 /nfs/dbraw/zinc/15/85/49/1046158549.db2.gz YYSNIZBTMXEWEL-ZVRJUHEZSA-N 1 3 318.892 4.018 20 0 DIADHO Cc1c2ccccc2oc1[C@@H](C)NCc1cccc2c1CC[NH2+]C2 ZINC000635008952 1046171217 /nfs/dbraw/zinc/17/12/17/1046171217.db2.gz HREIRPFSYBTDQW-OAHLLOKOSA-N 1 3 320.436 4.238 20 0 DIADHO CCC[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccccn1 ZINC000195139224 1046589615 /nfs/dbraw/zinc/58/96/15/1046589615.db2.gz BKKWRVHDXUVEQO-UXHICEINSA-N 1 3 323.484 4.035 20 0 DIADHO COc1cc(C)ccc1[C@@H](C)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000643543748 1046671330 /nfs/dbraw/zinc/67/13/30/1046671330.db2.gz KINRAWTWAHIOBH-APWZRJJASA-N 1 3 312.457 4.134 20 0 DIADHO [NH3+]CCC[C@H](N[C@@H]1CCc2c1cc(F)cc2F)c1ccccc1 ZINC000643543800 1046671709 /nfs/dbraw/zinc/67/17/09/1046671709.db2.gz XTNLULNQCNUSSJ-RBUKOAKNSA-N 1 3 316.395 4.022 20 0 DIADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1C(C)(C)C ZINC000533637932 1046771120 /nfs/dbraw/zinc/77/11/20/1046771120.db2.gz BMMJNOYUBGXCSO-HZPDHXFCSA-N 1 3 300.490 4.119 20 0 DIADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1C(C)(C)C ZINC000533637932 1046771137 /nfs/dbraw/zinc/77/11/37/1046771137.db2.gz BMMJNOYUBGXCSO-HZPDHXFCSA-N 1 3 300.490 4.119 20 0 DIADHO CCC[C@H](NC1CC[NH+](CCC)CC1)c1ccc(OC)cc1 ZINC000161594269 1046909843 /nfs/dbraw/zinc/90/98/43/1046909843.db2.gz HWMKRDPJTLOIQA-IBGZPJMESA-N 1 3 304.478 4.000 20 0 DIADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000093515383 1046935418 /nfs/dbraw/zinc/93/54/18/1046935418.db2.gz XJNVSMNMZCENRO-ZQDZILKHSA-N 1 3 306.416 4.008 20 0 DIADHO CN1CCC[C@@H]1CC[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC001168274275 1046973764 /nfs/dbraw/zinc/97/37/64/1046973764.db2.gz CAWVGDHBOIXTGO-FGZHOGPDSA-N 1 3 320.480 4.270 20 0 DIADHO CN1CCC[C@@H]1CC[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC001168274275 1046973771 /nfs/dbraw/zinc/97/37/71/1046973771.db2.gz CAWVGDHBOIXTGO-FGZHOGPDSA-N 1 3 320.480 4.270 20 0 DIADHO C[C@H](c1ccc(F)c(Cl)c1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179008 1047009003 /nfs/dbraw/zinc/00/90/03/1047009003.db2.gz XVAOLOBEPZTGLZ-CQSZACIVSA-N 1 3 324.871 4.348 20 0 DIADHO COc1ccccc1[C@@H](NCc1ccc(C[NH3+])cc1)C1CCCC1 ZINC000647803186 1047016171 /nfs/dbraw/zinc/01/61/71/1047016171.db2.gz LDJMAKVFTHXOFJ-NRFANRHFSA-N 1 3 324.468 4.175 20 0 DIADHO CC[N@@H+]1CC[C@H](N(C)Cc2cc3ccccc3s2)[C@@H](C)C1 ZINC000536661830 1047051870 /nfs/dbraw/zinc/05/18/70/1047051870.db2.gz GLMSCEUFGMHVTG-YOEHRIQHSA-N 1 3 302.487 4.063 20 0 DIADHO CC[N@H+]1CC[C@H](N(C)Cc2cc3ccccc3s2)[C@@H](C)C1 ZINC000536661830 1047051883 /nfs/dbraw/zinc/05/18/83/1047051883.db2.gz GLMSCEUFGMHVTG-YOEHRIQHSA-N 1 3 302.487 4.063 20 0 DIADHO CC[N@@H+]1CC[C@H](N(C)Cc2cc3ccccc3s2)[C@H](C)C1 ZINC000536661827 1047053943 /nfs/dbraw/zinc/05/39/43/1047053943.db2.gz GLMSCEUFGMHVTG-PBHICJAKSA-N 1 3 302.487 4.063 20 0 DIADHO CC[N@H+]1CC[C@H](N(C)Cc2cc3ccccc3s2)[C@H](C)C1 ZINC000536661827 1047053959 /nfs/dbraw/zinc/05/39/59/1047053959.db2.gz GLMSCEUFGMHVTG-PBHICJAKSA-N 1 3 302.487 4.063 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2ccc(Cl)cc2C)CC1 ZINC001141234575 1047058460 /nfs/dbraw/zinc/05/84/60/1047058460.db2.gz PLLQGCOJEHIQMJ-UHFFFAOYSA-N 1 3 308.897 4.345 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2ccc(Cl)cc2C)CC1 ZINC001141234575 1047058466 /nfs/dbraw/zinc/05/84/66/1047058466.db2.gz PLLQGCOJEHIQMJ-UHFFFAOYSA-N 1 3 308.897 4.345 20 0 DIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000379640717 1047092335 /nfs/dbraw/zinc/09/23/35/1047092335.db2.gz CCJVSHSZFWCPOF-LVCYWYKZSA-N 1 3 308.469 4.390 20 0 DIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000379640717 1047092352 /nfs/dbraw/zinc/09/23/52/1047092352.db2.gz CCJVSHSZFWCPOF-LVCYWYKZSA-N 1 3 308.469 4.390 20 0 DIADHO CC[N@@H+]1CCC[C@@H](CN[C@@H]2CCCc3c(Cl)cccc32)C1 ZINC001116565041 1047156696 /nfs/dbraw/zinc/15/66/96/1047156696.db2.gz FXPOJBISSBAVGV-KBXCAEBGSA-N 1 3 306.881 4.039 20 0 DIADHO CC[N@H+]1CCC[C@@H](CN[C@@H]2CCCc3c(Cl)cccc32)C1 ZINC001116565041 1047156704 /nfs/dbraw/zinc/15/67/04/1047156704.db2.gz FXPOJBISSBAVGV-KBXCAEBGSA-N 1 3 306.881 4.039 20 0 DIADHO CC[N@@H+]1CCC[C@@H](CN[C@H](c2cccnc2)C2CCCCC2)C1 ZINC001118246262 1047276958 /nfs/dbraw/zinc/27/69/58/1047276958.db2.gz PBTFMCIFJWUHQL-PXNSSMCTSA-N 1 3 315.505 4.025 20 0 DIADHO CC[N@H+]1CCC[C@@H](CN[C@H](c2cccnc2)C2CCCCC2)C1 ZINC001118246262 1047276964 /nfs/dbraw/zinc/27/69/64/1047276964.db2.gz PBTFMCIFJWUHQL-PXNSSMCTSA-N 1 3 315.505 4.025 20 0 DIADHO CSc1ccc(CN2CCC(C3CC[NH+](C)CC3)CC2)s1 ZINC001142027695 1047351475 /nfs/dbraw/zinc/35/14/75/1047351475.db2.gz HQRSTWPWROMBMP-UHFFFAOYSA-N 1 3 324.559 4.024 20 0 DIADHO Cc1occc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000840949790 1047363139 /nfs/dbraw/zinc/36/31/39/1047363139.db2.gz CJFIRPZGGDDJGC-SEJPIABJSA-N 1 3 324.468 4.263 20 0 DIADHO NCCC[N@H+](C1CCCCC1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255691173 1047422656 /nfs/dbraw/zinc/42/26/56/1047422656.db2.gz WWAHWXLPXJXEDG-HIFRSBDPSA-N 1 3 306.416 4.091 20 0 DIADHO NCCC[N@@H+](C1CCCCC1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255691173 1047422663 /nfs/dbraw/zinc/42/26/63/1047422663.db2.gz WWAHWXLPXJXEDG-HIFRSBDPSA-N 1 3 306.416 4.091 20 0 DIADHO C/C(=C/c1ccc(Cl)cc1)CNC[C@H]1CCCC[N@@H+](C)C1 ZINC001203136742 1047549901 /nfs/dbraw/zinc/54/99/01/1047549901.db2.gz SRGRAJXVGDLDLF-JBXOJTMHSA-N 1 3 306.881 4.065 20 0 DIADHO C/C(=C/c1ccc(Cl)cc1)CNC[C@H]1CCCC[N@H+](C)C1 ZINC001203136742 1047549905 /nfs/dbraw/zinc/54/99/05/1047549905.db2.gz SRGRAJXVGDLDLF-JBXOJTMHSA-N 1 3 306.881 4.065 20 0 DIADHO Cc1ccccc1-c1ccccc1C[N@@H+]1CCCC[C@H](CN)C1 ZINC001206632504 1047572210 /nfs/dbraw/zinc/57/22/10/1047572210.db2.gz LVDKNLBOTSLIGK-GOSISDBHSA-N 1 3 308.469 4.223 20 0 DIADHO Cc1ccccc1-c1ccccc1C[N@H+]1CCCC[C@H](CN)C1 ZINC001206632504 1047572214 /nfs/dbraw/zinc/57/22/14/1047572214.db2.gz LVDKNLBOTSLIGK-GOSISDBHSA-N 1 3 308.469 4.223 20 0 DIADHO C[C@H](c1cccnc1)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476976285 1047586790 /nfs/dbraw/zinc/58/67/90/1047586790.db2.gz WANXZWBVWHCHKX-ZWKOTPCHSA-N 1 3 315.505 4.119 20 0 DIADHO C[C@H](c1cccnc1)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476976285 1047586794 /nfs/dbraw/zinc/58/67/94/1047586794.db2.gz WANXZWBVWHCHKX-ZWKOTPCHSA-N 1 3 315.505 4.119 20 0 DIADHO c1ccc([C@@H]2CCCC[C@@H]([NH2+][C@H]3CCNC4(CCC4)C3)C2)cc1 ZINC000666995757 1047612605 /nfs/dbraw/zinc/61/26/05/1047612605.db2.gz ZFEUHBOLILXYSF-AQNXPRMDSA-N 1 3 312.501 4.367 20 0 DIADHO CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995257 1047612861 /nfs/dbraw/zinc/61/28/61/1047612861.db2.gz IHDIDRAYYLMRPY-RTBURBONSA-N 1 3 300.490 4.052 20 0 DIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2csc3ccccc23)[C@@H](C)C1 ZINC000538717314 1047699730 /nfs/dbraw/zinc/69/97/30/1047699730.db2.gz TVPQFGBJUGZOFE-WMLDXEAASA-N 1 3 302.487 4.063 20 0 DIADHO CC[N@H+]1CC[C@@H](N(C)Cc2csc3ccccc23)[C@@H](C)C1 ZINC000538717314 1047699732 /nfs/dbraw/zinc/69/97/32/1047699732.db2.gz TVPQFGBJUGZOFE-WMLDXEAASA-N 1 3 302.487 4.063 20 0 DIADHO [NH3+]Cc1ccc(Nc2cccc(CN3CCCCC3)c2F)cc1 ZINC001159484241 1047853983 /nfs/dbraw/zinc/85/39/83/1047853983.db2.gz PYAUWAQFQAENSB-UHFFFAOYSA-N 1 3 313.420 4.014 20 0 DIADHO [NH3+]Cc1cccc(Nc2ccc(CN3CCCCC3)c(F)c2)c1 ZINC001159649778 1047895430 /nfs/dbraw/zinc/89/54/30/1047895430.db2.gz UIOIGEILOFHFNC-UHFFFAOYSA-N 1 3 313.420 4.014 20 0 DIADHO Cc1csc2sc(C[N@@H+]3C[C@H](C)CC[C@@H]3CN)c(C)c12 ZINC001205827267 1047927603 /nfs/dbraw/zinc/92/76/03/1047927603.db2.gz GDPNZMBPDORKPO-ZWNOBZJWSA-N 1 3 308.516 4.139 20 0 DIADHO Cc1csc2sc(C[N@H+]3C[C@H](C)CC[C@@H]3CN)c(C)c12 ZINC001205827267 1047927615 /nfs/dbraw/zinc/92/76/15/1047927615.db2.gz GDPNZMBPDORKPO-ZWNOBZJWSA-N 1 3 308.516 4.139 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000479578174 1047935152 /nfs/dbraw/zinc/93/51/52/1047935152.db2.gz KSQPQUIJZVSGCK-KDOFPFPSSA-N 1 3 306.881 4.037 20 0 DIADHO Cc1ccc2cc(CN3CCC(C[N@@H+](C)C(C)C)CC3)[nH]c2c1 ZINC000667534788 1047953192 /nfs/dbraw/zinc/95/31/92/1047953192.db2.gz LKHYOSQBBQCRAW-UHFFFAOYSA-N 1 3 313.489 4.029 20 0 DIADHO Cc1ccc2cc(CN3CCC(C[N@H+](C)C(C)C)CC3)[nH]c2c1 ZINC000667534788 1047953203 /nfs/dbraw/zinc/95/32/03/1047953203.db2.gz LKHYOSQBBQCRAW-UHFFFAOYSA-N 1 3 313.489 4.029 20 0 DIADHO Cc1cc(F)ccc1[C@H](C)[NH2+]C1CCN(CCC(C)C)CC1 ZINC001183728258 1047960737 /nfs/dbraw/zinc/96/07/37/1047960737.db2.gz QZGIBIZMBNKZQY-INIZCTEOSA-N 1 3 306.469 4.295 20 0 DIADHO CCC[C@H](C[NH2+]CCCN1CCC(C)CC1)c1ccccc1 ZINC001199014659 1048024747 /nfs/dbraw/zinc/02/47/47/1048024747.db2.gz UHAZHEQMJPFZPU-HXUWFJFHSA-N 1 3 302.506 4.282 20 0 DIADHO CC(C)c1cccc(CNCCC[N@H+](C)Cc2ccccc2)c1 ZINC001199038455 1048029135 /nfs/dbraw/zinc/02/91/35/1048029135.db2.gz PRSRPJPTPXYHFS-UHFFFAOYSA-N 1 3 310.485 4.422 20 0 DIADHO CC(C)c1cccc(CNCCC[N@@H+](C)Cc2ccccc2)c1 ZINC001199038455 1048029146 /nfs/dbraw/zinc/02/91/46/1048029146.db2.gz PRSRPJPTPXYHFS-UHFFFAOYSA-N 1 3 310.485 4.422 20 0 DIADHO CCN(CC)CC[C@H]([NH2+]C1CC2(CCC2)C1)c1ccccc1 ZINC001184339404 1048029975 /nfs/dbraw/zinc/02/99/75/1048029975.db2.gz QONFFALDBXILHO-IBGZPJMESA-N 1 3 300.490 4.382 20 0 DIADHO C[C@H]1CCC[N@@H+](CCCCNCc2cscc2Cl)C1 ZINC001199336168 1048059060 /nfs/dbraw/zinc/05/90/60/1048059060.db2.gz IHAJVQZLMBVNLO-ZDUSSCGKSA-N 1 3 300.899 4.003 20 0 DIADHO C[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000480095272 1048053085 /nfs/dbraw/zinc/05/30/85/1048053085.db2.gz SCSSMQWMQJTKMG-QGZVFWFLSA-N 1 3 300.490 4.177 20 0 DIADHO C[C@H]1CCC[N@H+](CCCCNCc2cscc2Cl)C1 ZINC001199336168 1048059046 /nfs/dbraw/zinc/05/90/46/1048059046.db2.gz IHAJVQZLMBVNLO-ZDUSSCGKSA-N 1 3 300.899 4.003 20 0 DIADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC001199329164 1048059090 /nfs/dbraw/zinc/05/90/90/1048059090.db2.gz OHVFHHMVWUHEDL-QZTJIDSGSA-N 1 3 306.538 4.447 20 0 DIADHO C[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000480243226 1048096238 /nfs/dbraw/zinc/09/62/38/1048096238.db2.gz RYXCLFBJQSUIHC-OAGGEKHMSA-N 1 3 323.912 4.144 20 0 DIADHO C[C@@H](CCCC(F)(F)F)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000480243580 1048098100 /nfs/dbraw/zinc/09/81/00/1048098100.db2.gz FJMNPDTUFXAPHO-ZNMIVQPWSA-N 1 3 308.432 4.065 20 0 DIADHO CCCCN1CCC([NH2+]Cc2ccc(OCCC)cc2C)CC1 ZINC001199784536 1048101975 /nfs/dbraw/zinc/10/19/75/1048101975.db2.gz UGVJSFQUQLKLMC-UHFFFAOYSA-N 1 3 318.505 4.138 20 0 DIADHO Cc1ccccc1CNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC001200980954 1048164730 /nfs/dbraw/zinc/16/47/30/1048164730.db2.gz QYRDLOHUWMUQQH-RTBURBONSA-N 1 3 322.496 4.241 20 0 DIADHO CCN(C)C[C@@H]1CC[N@@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000554819890 1048195403 /nfs/dbraw/zinc/19/54/03/1048195403.db2.gz JTTKSBZPUWFTAZ-SFHVURJKSA-N 1 3 308.469 4.050 20 0 DIADHO CCN(C)C[C@@H]1CC[N@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000554819890 1048195415 /nfs/dbraw/zinc/19/54/15/1048195415.db2.gz JTTKSBZPUWFTAZ-SFHVURJKSA-N 1 3 308.469 4.050 20 0 DIADHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cc1F ZINC000480625721 1048200702 /nfs/dbraw/zinc/20/07/02/1048200702.db2.gz NOTBYDKJFLMOJC-GJZGRUSLSA-N 1 3 310.432 4.270 20 0 DIADHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)cc1F ZINC000480625721 1048200715 /nfs/dbraw/zinc/20/07/15/1048200715.db2.gz NOTBYDKJFLMOJC-GJZGRUSLSA-N 1 3 310.432 4.270 20 0 DIADHO C[C@@H](CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)N1CCCCC1 ZINC000555224957 1048297619 /nfs/dbraw/zinc/29/76/19/1048297619.db2.gz FJJWNPOLXWZYAE-ZULIPRJHSA-N 1 3 300.490 4.033 20 0 DIADHO CC(C)CC[C@H]([NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CC1 ZINC000555235894 1048305069 /nfs/dbraw/zinc/30/50/69/1048305069.db2.gz OGTUJHCXNOSMCB-POAQFYNOSA-N 1 3 306.538 4.444 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(-c3ccccc3)c2)C1 ZINC000481296745 1048354972 /nfs/dbraw/zinc/35/49/72/1048354972.db2.gz URAVNERIUWYVDY-MSOLQXFVSA-N 1 3 308.469 4.346 20 0 DIADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2cccc(-c3ccccc3)c2)C1 ZINC000481296745 1048354984 /nfs/dbraw/zinc/35/49/84/1048354984.db2.gz URAVNERIUWYVDY-MSOLQXFVSA-N 1 3 308.469 4.346 20 0 DIADHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2cccc(-c3ccccc3)c2)C1 ZINC000481296745 1048354990 /nfs/dbraw/zinc/35/49/90/1048354990.db2.gz URAVNERIUWYVDY-MSOLQXFVSA-N 1 3 308.469 4.346 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000481308001 1048359589 /nfs/dbraw/zinc/35/95/89/1048359589.db2.gz ACMTVWYITUWBOK-KDOFPFPSSA-N 1 3 306.881 4.039 20 0 DIADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000481308001 1048359601 /nfs/dbraw/zinc/35/96/01/1048359601.db2.gz ACMTVWYITUWBOK-KDOFPFPSSA-N 1 3 306.881 4.039 20 0 DIADHO CC[N@H+]1CC[C@H](CN[C@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000481308001 1048359612 /nfs/dbraw/zinc/35/96/12/1048359612.db2.gz ACMTVWYITUWBOK-KDOFPFPSSA-N 1 3 306.881 4.039 20 0 DIADHO CCc1ccc([C@H](CC)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000481332600 1048368972 /nfs/dbraw/zinc/36/89/72/1048368972.db2.gz NTBKVLGDPMCEEP-FQEVSTJZSA-N 1 3 300.490 4.164 20 0 DIADHO CC[C@@H]1CCC[C@H](C[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC001201947417 1048407845 /nfs/dbraw/zinc/40/78/45/1048407845.db2.gz YJBQKJTZMXEXCS-YRXWBPOGSA-N 1 3 306.538 4.445 20 0 DIADHO Cc1cc2cc(N[C@@H]3CC[NH2+][C@H]3c3ccccc3)ccc2cn1 ZINC001163218673 1048439259 /nfs/dbraw/zinc/43/92/59/1048439259.db2.gz JXTHVQXBJUXOGE-UXHICEINSA-N 1 3 303.409 4.058 20 0 DIADHO C[C@@H](NC1CCC([NH+]2CCCCC2)CC1)c1cccc(F)c1F ZINC000776309582 1048564961 /nfs/dbraw/zinc/56/49/61/1048564961.db2.gz IXAWNWBNNBEGBB-QQFBHYJXSA-N 1 3 322.443 4.413 20 0 DIADHO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc(C)c1F ZINC000482326099 1048588023 /nfs/dbraw/zinc/58/80/23/1048588023.db2.gz YEFKGTXTZIAJSR-SJORKVTESA-N 1 3 306.469 4.214 20 0 DIADHO Cc1cccc(C[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C2CC2)c1 ZINC000482341723 1048591903 /nfs/dbraw/zinc/59/19/03/1048591903.db2.gz CFSDVNCPSZFLKN-FPOVZHCZSA-N 1 3 314.517 4.026 20 0 DIADHO CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000482357179 1048593449 /nfs/dbraw/zinc/59/34/49/1048593449.db2.gz KHDNYBPHZDXIEB-ROUUACIJSA-N 1 3 318.505 4.246 20 0 DIADHO c1coc(CN2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC001203284369 1048640265 /nfs/dbraw/zinc/64/02/65/1048640265.db2.gz ZOYJHUWBJCSLKK-UHFFFAOYSA-N 1 3 324.468 4.158 20 0 DIADHO Cc1cccc([C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C(C)(C)C)c1 ZINC000166788352 1048666583 /nfs/dbraw/zinc/66/65/83/1048666583.db2.gz JDCLZKVMQXDUBH-QRVBRYPASA-N 1 3 300.490 4.299 20 0 DIADHO Cc1cccc([C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C(C)(C)C)c1 ZINC000166788352 1048666590 /nfs/dbraw/zinc/66/65/90/1048666590.db2.gz JDCLZKVMQXDUBH-QRVBRYPASA-N 1 3 300.490 4.299 20 0 DIADHO COc1ccc([C@@H](C)[NH2+][C@@H]2C=CCC2)cc1CN1CCCCC1 ZINC000850508165 1048672787 /nfs/dbraw/zinc/67/27/87/1048672787.db2.gz IBRJRYMTBSNVBC-VQIMIIECSA-N 1 3 314.473 4.050 20 0 DIADHO CC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775367530 1048710114 /nfs/dbraw/zinc/71/01/14/1048710114.db2.gz WTUCHRGCTQJUHA-HOTGVXAUSA-N 1 3 304.478 4.130 20 0 DIADHO C(C1CC2(CCC2)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001190827856 1048790668 /nfs/dbraw/zinc/79/06/68/1048790668.db2.gz PYDZOQONYYFGHB-GOSISDBHSA-N 1 3 304.522 4.155 20 0 DIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H](C)C2CCC2)ccc1OC ZINC000775415756 1048792951 /nfs/dbraw/zinc/79/29/51/1048792951.db2.gz NTOAXUVRXWESLE-CVEARBPZSA-N 1 3 318.505 4.376 20 0 DIADHO Cc1ccc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(Cl)c1 ZINC001177289701 1048856720 /nfs/dbraw/zinc/85/67/20/1048856720.db2.gz IXZVJOIKURWLSR-CALCHBBNSA-N 1 3 322.924 4.496 20 0 DIADHO Cc1ccc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(Cl)c1 ZINC001177289701 1048856737 /nfs/dbraw/zinc/85/67/37/1048856737.db2.gz IXZVJOIKURWLSR-CALCHBBNSA-N 1 3 322.924 4.496 20 0 DIADHO CC[C@H](NC1CC[NH+](CC2CC2)CC1)c1cc(C)cc(C)c1 ZINC001168368437 1048895767 /nfs/dbraw/zinc/89/57/67/1048895767.db2.gz JWQOTRLWSIDWKQ-FQEVSTJZSA-N 1 3 300.490 4.219 20 0 DIADHO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCN(CC)CC ZINC001191233223 1048906560 /nfs/dbraw/zinc/90/65/60/1048906560.db2.gz LRKIUKXCBYOVSI-UXHICEINSA-N 1 3 302.506 4.377 20 0 DIADHO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCN(CC)CC ZINC001191233223 1048906573 /nfs/dbraw/zinc/90/65/73/1048906573.db2.gz LRKIUKXCBYOVSI-UXHICEINSA-N 1 3 302.506 4.377 20 0 DIADHO C[C@@H]1CC[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C[C@@H]1C ZINC001177581649 1048919819 /nfs/dbraw/zinc/91/98/19/1048919819.db2.gz NVFLNNKYQWSKID-FUHIMQAGSA-N 1 3 306.538 4.445 20 0 DIADHO CCC[N@H+](C)C[C@H]1CCN([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC001191368038 1048935453 /nfs/dbraw/zinc/93/54/53/1048935453.db2.gz WMNSFFYKRAFIED-RTBURBONSA-N 1 3 302.506 4.337 20 0 DIADHO CCC[N@@H+](C)C[C@H]1CCN([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC001191368038 1048935465 /nfs/dbraw/zinc/93/54/65/1048935465.db2.gz WMNSFFYKRAFIED-RTBURBONSA-N 1 3 302.506 4.337 20 0 DIADHO Cc1ccccc1C[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000484498851 1048952587 /nfs/dbraw/zinc/95/25/87/1048952587.db2.gz IPILVHYJDJMNJY-GOSISDBHSA-N 1 3 314.517 4.313 20 0 DIADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1ccc(SC(F)F)cc1 ZINC000854229944 1048953941 /nfs/dbraw/zinc/95/39/41/1048953941.db2.gz BCLLAVHKCZOHDS-SMDDNHRTSA-N 1 3 302.434 4.025 20 0 DIADHO Cc1cc([C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C2CC2)ccc1F ZINC001178218722 1049005811 /nfs/dbraw/zinc/00/58/11/1049005811.db2.gz XLLZCQBYNMYGNU-SJLPKXTDSA-N 1 3 304.453 4.048 20 0 DIADHO Cc1cc([C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)ccc1F ZINC001178218722 1049005824 /nfs/dbraw/zinc/00/58/24/1049005824.db2.gz XLLZCQBYNMYGNU-SJLPKXTDSA-N 1 3 304.453 4.048 20 0 DIADHO CN1CC[C@]2(CC[N@H+](Cc3cccc(Oc4ccccc4)c3)C2)C1 ZINC001203815307 1049008304 /nfs/dbraw/zinc/00/83/04/1049008304.db2.gz MOAPTHIVHIMQNR-NRFANRHFSA-N 1 3 322.452 4.007 20 0 DIADHO CN1CC[C@]2(CC[N@@H+](Cc3cccc(Oc4ccccc4)c3)C2)C1 ZINC001203815307 1049008315 /nfs/dbraw/zinc/00/83/15/1049008315.db2.gz MOAPTHIVHIMQNR-NRFANRHFSA-N 1 3 322.452 4.007 20 0 DIADHO c1cc(CN2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)co1 ZINC001204243604 1049120575 /nfs/dbraw/zinc/12/05/75/1049120575.db2.gz AOGRBQAVFAFGFY-UHFFFAOYSA-N 1 3 324.468 4.158 20 0 DIADHO C[C@@H]1CC(C[NH2+]C2CCN(C3CCCCC3)CC2)C[C@@H](C)C1 ZINC001179111413 1049133698 /nfs/dbraw/zinc/13/36/98/1049133698.db2.gz ZFYBHZUCPYPCAC-IRXDYDNUSA-N 1 3 306.538 4.445 20 0 DIADHO CN1CCCC[C@H](C[NH2+]Cc2ccc(-c3ccccc3)cc2)C1 ZINC001179159043 1049138768 /nfs/dbraw/zinc/13/87/68/1049138768.db2.gz HRKPYJHFIZDYMS-LJQANCHMSA-N 1 3 308.469 4.175 20 0 DIADHO CCN(Cc1ccccc1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001204325456 1049141932 /nfs/dbraw/zinc/14/19/32/1049141932.db2.gz YGAKGUYRDJYHQV-NRFANRHFSA-N 1 3 322.496 4.339 20 0 DIADHO CCN(Cc1ccccc1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001204325456 1049141936 /nfs/dbraw/zinc/14/19/36/1049141936.db2.gz YGAKGUYRDJYHQV-NRFANRHFSA-N 1 3 322.496 4.339 20 0 DIADHO C[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1csc2ccccc12 ZINC000858128159 1049220288 /nfs/dbraw/zinc/22/02/88/1049220288.db2.gz CIRVMHXBTNFFBV-KGLIPLIRSA-N 1 3 302.487 4.425 20 0 DIADHO C[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1csc2ccccc12 ZINC000858128159 1049220298 /nfs/dbraw/zinc/22/02/98/1049220298.db2.gz CIRVMHXBTNFFBV-KGLIPLIRSA-N 1 3 302.487 4.425 20 0 DIADHO CN1CCC[C@H]2C[N@@H+](C3c4ccccc4-c4ccccc43)CC[C@H]21 ZINC000485335772 1049222345 /nfs/dbraw/zinc/22/23/45/1049222345.db2.gz GQCAAPFTYMNWOC-HRAATJIYSA-N 1 3 318.464 4.173 20 0 DIADHO CN1CCC[C@H]2C[N@H+](C3c4ccccc4-c4ccccc43)CC[C@H]21 ZINC000485335772 1049222358 /nfs/dbraw/zinc/22/23/58/1049222358.db2.gz GQCAAPFTYMNWOC-HRAATJIYSA-N 1 3 318.464 4.173 20 0 DIADHO C[C@@H](CC1CCCCC1)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001179878332 1049224692 /nfs/dbraw/zinc/22/46/92/1049224692.db2.gz OIVJZOHLSATOHT-ICSRJNTNSA-N 1 3 306.538 4.401 20 0 DIADHO C[C@@H](CC1CCCCC1)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001179878332 1049224702 /nfs/dbraw/zinc/22/47/02/1049224702.db2.gz OIVJZOHLSATOHT-ICSRJNTNSA-N 1 3 306.538 4.401 20 0 DIADHO Cc1csc([C@@H](C)NCCCCCCC[NH+]2CCCC2)n1 ZINC000858361731 1049246970 /nfs/dbraw/zinc/24/69/70/1049246970.db2.gz ADZMFBCKMUYGOV-MRXNPFEDSA-N 1 3 309.523 4.148 20 0 DIADHO CN1CCCC[C@@H]1CC[N@H+](C)Cc1cccc(CC2CCC2)c1 ZINC001180097394 1049273559 /nfs/dbraw/zinc/27/35/59/1049273559.db2.gz DAVMRSHZVUKNRM-OAQYLSRUSA-N 1 3 314.517 4.335 20 0 DIADHO CN1CCCC[C@@H]1CC[N@@H+](C)Cc1cccc(CC2CCC2)c1 ZINC001180097394 1049273574 /nfs/dbraw/zinc/27/35/74/1049273574.db2.gz DAVMRSHZVUKNRM-OAQYLSRUSA-N 1 3 314.517 4.335 20 0 DIADHO Cc1c(C)c(C)c(C[N@H+](C)CCCN2CCCC2)c(C)c1C ZINC001193848897 1049275149 /nfs/dbraw/zinc/27/51/49/1049275149.db2.gz KGTFETKSFYYYER-UHFFFAOYSA-N 1 3 302.506 4.146 20 0 DIADHO Cc1c(C)c(C)c(C[N@@H+](C)CCCN2CCCC2)c(C)c1C ZINC001193848897 1049275163 /nfs/dbraw/zinc/27/51/63/1049275163.db2.gz KGTFETKSFYYYER-UHFFFAOYSA-N 1 3 302.506 4.146 20 0 DIADHO [NH3+]Cc1ccc(CN2CC=C(c3ccc(Cl)cc3)CC2)cc1 ZINC001204869689 1049291895 /nfs/dbraw/zinc/29/18/95/1049291895.db2.gz GNIXOBYBPBTQJJ-UHFFFAOYSA-N 1 3 312.844 4.088 20 0 DIADHO Cc1cccc(N(C)c2ccc(CN3CCC[C@@H]([NH3+])CC3)cc2)c1 ZINC001205116572 1049384686 /nfs/dbraw/zinc/38/46/86/1049384686.db2.gz CYRHDHUNWBAVSW-LJQANCHMSA-N 1 3 323.484 4.076 20 0 DIADHO CC[C@H](Cc1cccs1)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC001180795318 1049404648 /nfs/dbraw/zinc/40/46/48/1049404648.db2.gz VAOFBKHSIWGBLT-BRWVUGGUSA-N 1 3 320.546 4.312 20 0 DIADHO Cc1ccc(C2CC([NH2+]CC[C@H](C)N3CCCCC3)C2)cc1 ZINC001180812456 1049410324 /nfs/dbraw/zinc/41/03/24/1049410324.db2.gz ZZCYARBPRYIDBM-KKXNLOMOSA-N 1 3 300.490 4.095 20 0 DIADHO C[C@@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC001180978366 1049426500 /nfs/dbraw/zinc/42/65/00/1049426500.db2.gz ZRHOUEDQSMSNED-JZXOWHBKSA-N 1 3 314.498 4.309 20 0 DIADHO C[C@@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC001180978366 1049426505 /nfs/dbraw/zinc/42/65/05/1049426505.db2.gz ZRHOUEDQSMSNED-JZXOWHBKSA-N 1 3 314.498 4.309 20 0 DIADHO Cc1cc(Oc2ccccc2)ccc1CN1CCC[C@](C)([NH3+])CC1 ZINC001205295963 1049431199 /nfs/dbraw/zinc/43/11/99/1049431199.db2.gz DLJONLLEUZBPGM-NRFANRHFSA-N 1 3 324.468 4.491 20 0 DIADHO CSC(C)(C)CC[N@H+](C)C(C)(C)CN1CCCCCC1 ZINC001181055129 1049432193 /nfs/dbraw/zinc/43/21/93/1049432193.db2.gz IZMKCEBKECVIQW-UHFFFAOYSA-N 1 3 300.556 4.105 20 0 DIADHO CSC(C)(C)CC[N@@H+](C)C(C)(C)CN1CCCCCC1 ZINC001181055129 1049432202 /nfs/dbraw/zinc/43/22/02/1049432202.db2.gz IZMKCEBKECVIQW-UHFFFAOYSA-N 1 3 300.556 4.105 20 0 DIADHO CC[C@@H](CCc1ccccc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC001181426580 1049472282 /nfs/dbraw/zinc/47/22/82/1049472282.db2.gz BHANBOZNFXALOE-IBGZPJMESA-N 1 3 302.506 4.109 20 0 DIADHO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1)CN1CCCC1 ZINC001181427856 1049474134 /nfs/dbraw/zinc/47/41/34/1049474134.db2.gz PCRKQHDSLHKBHB-VQTJNVASSA-N 1 3 314.517 4.424 20 0 DIADHO C[C@H](CNC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC001205555066 1049497270 /nfs/dbraw/zinc/49/72/70/1049497270.db2.gz OGFAXVNYDYQMOY-UZLBHIALSA-N 1 3 318.480 4.316 20 0 DIADHO C[C@H](CNC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC001205555066 1049497276 /nfs/dbraw/zinc/49/72/76/1049497276.db2.gz OGFAXVNYDYQMOY-UZLBHIALSA-N 1 3 318.480 4.316 20 0 DIADHO Clc1ccc(CCNC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC001205555914 1049497724 /nfs/dbraw/zinc/49/77/24/1049497724.db2.gz XYGBWKTXWHOZSH-LJQANCHMSA-N 1 3 320.908 4.269 20 0 DIADHO Clc1ccc(CCNC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC001205555914 1049497728 /nfs/dbraw/zinc/49/77/28/1049497728.db2.gz XYGBWKTXWHOZSH-LJQANCHMSA-N 1 3 320.908 4.269 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC001205599114 1049507949 /nfs/dbraw/zinc/50/79/49/1049507949.db2.gz LSPIYVHREYCHKI-OALUTQOASA-N 1 3 311.473 4.007 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC001205599114 1049507959 /nfs/dbraw/zinc/50/79/59/1049507959.db2.gz LSPIYVHREYCHKI-OALUTQOASA-N 1 3 311.473 4.007 20 0 DIADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1ccc2[nH]ccc2c1 ZINC001205599114 1049507971 /nfs/dbraw/zinc/50/79/71/1049507971.db2.gz LSPIYVHREYCHKI-OALUTQOASA-N 1 3 311.473 4.007 20 0 DIADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1ccc2[nH]ccc2c1 ZINC001205599114 1049507979 /nfs/dbraw/zinc/50/79/79/1049507979.db2.gz LSPIYVHREYCHKI-OALUTQOASA-N 1 3 311.473 4.007 20 0 DIADHO Cc1cc(CN2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(Cl)cc1Cl ZINC001205652594 1049522662 /nfs/dbraw/zinc/52/26/62/1049522662.db2.gz QAYXVSOVEPXOAW-DGCLKSJQSA-N 1 3 315.288 4.109 20 0 DIADHO Cc1cc(CN2CC[C@H](C)[C@@H](C[NH3+])CC2)c(Cl)cc1Cl ZINC001205652596 1049524093 /nfs/dbraw/zinc/52/40/93/1049524093.db2.gz QAYXVSOVEPXOAW-WCQYABFASA-N 1 3 315.288 4.109 20 0 DIADHO CCC[N@H+](CCCN(C)C)Cc1cc2ccccc2cc1OC ZINC001205696707 1049534241 /nfs/dbraw/zinc/53/42/41/1049534241.db2.gz NLDGBMQSSQZMNQ-UHFFFAOYSA-N 1 3 314.473 4.012 20 0 DIADHO CCC[N@@H+](CCCN(C)C)Cc1cc2ccccc2cc1OC ZINC001205696707 1049534251 /nfs/dbraw/zinc/53/42/51/1049534251.db2.gz NLDGBMQSSQZMNQ-UHFFFAOYSA-N 1 3 314.473 4.012 20 0 DIADHO Cc1cc(C)c(/C=C/C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c(C)c1 ZINC001205757965 1049556943 /nfs/dbraw/zinc/55/69/43/1049556943.db2.gz JLYKKTNFBPYXDE-XIVKTCCCSA-N 1 3 312.501 4.182 20 0 DIADHO Cc1cc(C)c(/C=C/C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c(C)c1 ZINC001205757965 1049556948 /nfs/dbraw/zinc/55/69/48/1049556948.db2.gz JLYKKTNFBPYXDE-XIVKTCCCSA-N 1 3 312.501 4.182 20 0 DIADHO Cc1cc(Cl)c(CN2CCC[C@@H](C[NH3+])[C@H](C)C2)c(Cl)c1 ZINC001206024605 1049632397 /nfs/dbraw/zinc/63/23/97/1049632397.db2.gz KSKGNSPZWLPUOE-OLZOCXBDSA-N 1 3 315.288 4.109 20 0 DIADHO Cc1cccc(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cc2)c1 ZINC000774349624 1049655434 /nfs/dbraw/zinc/65/54/34/1049655434.db2.gz UNBKEQYAWHLGAI-FRIKZZABSA-N 1 3 320.480 4.377 20 0 DIADHO CCCC[N@H+](C[C@H](OC)C1CCC1)C1CC(C)(C)NC(C)(C)C1 ZINC001196545105 1049668822 /nfs/dbraw/zinc/66/88/22/1049668822.db2.gz KVGKZIYTJKJYEY-SFHVURJKSA-N 1 3 324.553 4.213 20 0 DIADHO CCCC[N@@H+](C[C@H](OC)C1CCC1)C1CC(C)(C)NC(C)(C)C1 ZINC001196545105 1049668844 /nfs/dbraw/zinc/66/88/44/1049668844.db2.gz KVGKZIYTJKJYEY-SFHVURJKSA-N 1 3 324.553 4.213 20 0 DIADHO CC(C)[N@H+](CCCc1ccc(Cl)cc1)[C@H]1CCCNCC1 ZINC001206583718 1049762370 /nfs/dbraw/zinc/76/23/70/1049762370.db2.gz VQYNTTUVZTVEJX-SFHVURJKSA-N 1 3 308.897 4.125 20 0 DIADHO CC(C)[N@@H+](CCCc1ccc(Cl)cc1)[C@H]1CCCNCC1 ZINC001206583718 1049762376 /nfs/dbraw/zinc/76/23/76/1049762376.db2.gz VQYNTTUVZTVEJX-SFHVURJKSA-N 1 3 308.897 4.125 20 0 DIADHO CC(C)N(Cc1ccc(-c2ccccc2)o1)[C@@H]1CCC[NH2+]CC1 ZINC001206599090 1049766098 /nfs/dbraw/zinc/76/60/98/1049766098.db2.gz NLNLTMPQHDPKKS-GOSISDBHSA-N 1 3 312.457 4.299 20 0 DIADHO [NH3+]C[C@H]1CCCCN(Cc2ccc(-c3cccs3)s2)C1 ZINC001206615486 1049770225 /nfs/dbraw/zinc/77/02/25/1049770225.db2.gz FVWIJCGTEXMXFG-CYBMUJFWSA-N 1 3 306.500 4.037 20 0 DIADHO Clc1cccc(CC2CCN(CC[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001206704381 1049781961 /nfs/dbraw/zinc/78/19/61/1049781961.db2.gz RUBFSIPJWGZXIV-IBGZPJMESA-N 1 3 320.908 4.127 20 0 DIADHO C[N@H+](CCCN1CCCC1)CC(c1ccccc1)c1ccccc1 ZINC001207523531 1049904375 /nfs/dbraw/zinc/90/43/75/1049904375.db2.gz AKNHMCQDAILZEY-UHFFFAOYSA-N 1 3 322.496 4.236 20 0 DIADHO C[N@@H+](CCCN1CCCC1)CC(c1ccccc1)c1ccccc1 ZINC001207523531 1049904382 /nfs/dbraw/zinc/90/43/82/1049904382.db2.gz AKNHMCQDAILZEY-UHFFFAOYSA-N 1 3 322.496 4.236 20 0 DIADHO CCC1(N2CCC2)CC[NH+](CCc2ccc(C(C)C)cc2)CC1 ZINC001207581416 1049912012 /nfs/dbraw/zinc/91/20/12/1049912012.db2.gz OCGOXQAJAMHJHM-UHFFFAOYSA-N 1 3 314.517 4.303 20 0 DIADHO C[C@@H](C[N@@H+]1CCCC[C@H]1CCN1CCCC1)c1ccccc1 ZINC001207907761 1049952288 /nfs/dbraw/zinc/95/22/88/1049952288.db2.gz XPJZAOKEIDQFGN-ICSRJNTNSA-N 1 3 300.490 4.131 20 0 DIADHO C[C@@H](C[N@H+]1CCCC[C@H]1CCN1CCCC1)c1ccccc1 ZINC001207907761 1049952292 /nfs/dbraw/zinc/95/22/92/1049952292.db2.gz XPJZAOKEIDQFGN-ICSRJNTNSA-N 1 3 300.490 4.131 20 0 DIADHO C[C@@H](C[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C)c1ccccc1 ZINC001207912071 1049954804 /nfs/dbraw/zinc/95/48/04/1049954804.db2.gz NDRPOGLQHIKLSE-IHPCNDPISA-N 1 3 300.490 4.129 20 0 DIADHO C[C@@H](C[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C)c1ccccc1 ZINC001207912071 1049954806 /nfs/dbraw/zinc/95/48/06/1049954806.db2.gz NDRPOGLQHIKLSE-IHPCNDPISA-N 1 3 300.490 4.129 20 0 DIADHO CCCN1C[C@@H]2C[N@@H+](C[C@@H](C)c3cccc4ccccc43)C[C@@H]2C1 ZINC001208710626 1050005896 /nfs/dbraw/zinc/00/58/96/1050005896.db2.gz RCADQZOHARSDPX-RLLQIKCJSA-N 1 3 322.496 4.217 20 0 DIADHO CCCN1C[C@@H]2C[N@H+](C[C@@H](C)c3cccc4ccccc43)C[C@@H]2C1 ZINC001208710626 1050005902 /nfs/dbraw/zinc/00/59/02/1050005902.db2.gz RCADQZOHARSDPX-RLLQIKCJSA-N 1 3 322.496 4.217 20 0 DIADHO CCC[N@H+]1C[C@H]2CN(C[C@@H](C)c3cccc4ccccc43)C[C@H]2C1 ZINC001208710626 1050005908 /nfs/dbraw/zinc/00/59/08/1050005908.db2.gz RCADQZOHARSDPX-RLLQIKCJSA-N 1 3 322.496 4.217 20 0 DIADHO CCC[N@@H+]1C[C@H]2CN(C[C@@H](C)c3cccc4ccccc43)C[C@H]2C1 ZINC001208710626 1050005914 /nfs/dbraw/zinc/00/59/14/1050005914.db2.gz RCADQZOHARSDPX-RLLQIKCJSA-N 1 3 322.496 4.217 20 0 DIADHO CCN(Cc1ccccc1)C1CC[NH+](CCCC(C)C)CC1 ZINC001208735826 1050006827 /nfs/dbraw/zinc/00/68/27/1050006827.db2.gz SQTOZSBLCNUUOC-UHFFFAOYSA-N 1 3 302.506 4.409 20 0 DIADHO Fc1ccc(CCC[N@@H+]2CCCC[C@@H]2CCN2CCCC2)cc1 ZINC001208774036 1050009160 /nfs/dbraw/zinc/00/91/60/1050009160.db2.gz XRHLPNRQTIOEML-HXUWFJFHSA-N 1 3 318.480 4.099 20 0 DIADHO Fc1ccc(CCC[N@H+]2CCCC[C@@H]2CCN2CCCC2)cc1 ZINC001208774036 1050009165 /nfs/dbraw/zinc/00/91/65/1050009165.db2.gz XRHLPNRQTIOEML-HXUWFJFHSA-N 1 3 318.480 4.099 20 0 DIADHO Fc1ccc(CCCN2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001208774036 1050009169 /nfs/dbraw/zinc/00/91/69/1050009169.db2.gz XRHLPNRQTIOEML-HXUWFJFHSA-N 1 3 318.480 4.099 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCCc1ccc(F)cc1 ZINC001208770269 1050009886 /nfs/dbraw/zinc/00/98/86/1050009886.db2.gz MNRCZPKRHPNDRU-VQTJNVASSA-N 1 3 318.480 4.097 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCCc1ccc(F)cc1 ZINC001208770269 1050009894 /nfs/dbraw/zinc/00/98/94/1050009894.db2.gz MNRCZPKRHPNDRU-VQTJNVASSA-N 1 3 318.480 4.097 20 0 DIADHO Clc1ccc([C@@H]2CCN(C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168387800 1050023673 /nfs/dbraw/zinc/02/36/73/1050023673.db2.gz UUXBEQWASBAUGB-QGZVFWFLSA-N 1 3 318.892 4.004 20 0 DIADHO Cc1ccc(CN(C)C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001208931643 1050025257 /nfs/dbraw/zinc/02/52/57/1050025257.db2.gz BTIPXKGABOVZQU-QFIPXVFZSA-N 1 3 322.496 4.339 20 0 DIADHO Cc1ccc(CN(C)C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001208931643 1050025261 /nfs/dbraw/zinc/02/52/61/1050025261.db2.gz BTIPXKGABOVZQU-QFIPXVFZSA-N 1 3 322.496 4.339 20 0 DIADHO c1ccc(C[N@H+]2CC[C@H](CN3CCC4(CCCC4)CC3)C2)cc1 ZINC001208945138 1050026726 /nfs/dbraw/zinc/02/67/26/1050026726.db2.gz ZAHOKDSOSYRCMT-HXUWFJFHSA-N 1 3 312.501 4.165 20 0 DIADHO c1ccc(C[N@@H+]2CC[C@H](CN3CCC4(CCCC4)CC3)C2)cc1 ZINC001208945138 1050026732 /nfs/dbraw/zinc/02/67/32/1050026732.db2.gz ZAHOKDSOSYRCMT-HXUWFJFHSA-N 1 3 312.501 4.165 20 0 DIADHO c1ccc(CN2CC[C@H](C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)C2)cc1 ZINC001208947797 1050027292 /nfs/dbraw/zinc/02/72/92/1050027292.db2.gz DAEIYJURFZIXDV-ACRUOGEOSA-N 1 3 312.501 4.163 20 0 DIADHO c1ccc(CN2CC[C@H](C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)C2)cc1 ZINC001208947797 1050027299 /nfs/dbraw/zinc/02/72/99/1050027299.db2.gz DAEIYJURFZIXDV-ACRUOGEOSA-N 1 3 312.501 4.163 20 0 DIADHO c1ccc(CN2CC[C@H](C[N@@H+]3CCC[C@H]4CCCC[C@H]43)C2)cc1 ZINC001208947802 1050028840 /nfs/dbraw/zinc/02/88/40/1050028840.db2.gz DAEIYJURFZIXDV-PWRODBHTSA-N 1 3 312.501 4.163 20 0 DIADHO c1ccc(CN2CC[C@H](C[N@H+]3CCC[C@H]4CCCC[C@H]43)C2)cc1 ZINC001208947802 1050028846 /nfs/dbraw/zinc/02/88/46/1050028846.db2.gz DAEIYJURFZIXDV-PWRODBHTSA-N 1 3 312.501 4.163 20 0 DIADHO CC(C)[N@H+](C)CC1CCN([C@H](C)c2cccc(Cl)c2)CC1 ZINC000590786377 1050106377 /nfs/dbraw/zinc/10/63/77/1050106377.db2.gz UOCXGJLLUHLBQE-OAHLLOKOSA-N 1 3 308.897 4.453 20 0 DIADHO CC(C)[N@@H+](C)CC1CCN([C@H](C)c2cccc(Cl)c2)CC1 ZINC000590786377 1050106380 /nfs/dbraw/zinc/10/63/80/1050106380.db2.gz UOCXGJLLUHLBQE-OAHLLOKOSA-N 1 3 308.897 4.453 20 0 DIADHO Cc1nc([C@H](C)NCCCCCCC[NH+]2CCCC2)c(C)s1 ZINC000772877984 1050189737 /nfs/dbraw/zinc/18/97/37/1050189737.db2.gz APOAXDIQABCIEF-HNNXBMFYSA-N 1 3 323.550 4.457 20 0 DIADHO Cc1nc([C@@H](C)NC2CCC([NH+]3CCCCC3)CC2)c(C)s1 ZINC000772877770 1050191123 /nfs/dbraw/zinc/19/11/23/1050191123.db2.gz XSVQFDOJKNLIIV-NVPAJSRCSA-N 1 3 321.534 4.208 20 0 DIADHO CCCCCC[C@@H](CCCC)[N@@H+]1CCC(F)(F)[C@H](CN)C1 ZINC001246558055 1050546520 /nfs/dbraw/zinc/54/65/20/1050546520.db2.gz NXGKWRPTDGFBBG-HZPDHXFCSA-N 1 3 304.469 4.432 20 0 DIADHO CCCCCC[C@@H](CCCC)[N@H+]1CCC(F)(F)[C@H](CN)C1 ZINC001246558055 1050546537 /nfs/dbraw/zinc/54/65/37/1050546537.db2.gz NXGKWRPTDGFBBG-HZPDHXFCSA-N 1 3 304.469 4.432 20 0 DIADHO CCCCCC[C@@H](CCCC)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246558055 1050546552 /nfs/dbraw/zinc/54/65/52/1050546552.db2.gz NXGKWRPTDGFBBG-HZPDHXFCSA-N 1 3 304.469 4.432 20 0 DIADHO C[C@H](Cc1ccccc1Cl)[NH2+]CCCN1CCCC[C@H]1C ZINC001170250188 1051171539 /nfs/dbraw/zinc/17/15/39/1051171539.db2.gz HDONSUKWHNXTLB-HZPDHXFCSA-N 1 3 308.897 4.125 20 0 DIADHO C[C@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)c1cccc(N(C)C)c1 ZINC001171631297 1051173961 /nfs/dbraw/zinc/17/39/61/1051173961.db2.gz XVCJPAZXEKHMTH-HNNXBMFYSA-N 1 3 317.521 4.055 20 0 DIADHO Cc1ccccc1OCCC[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171619333 1051177294 /nfs/dbraw/zinc/17/72/94/1051177294.db2.gz KDZQCMRTJYSZOP-UHFFFAOYSA-N 1 3 318.505 4.005 20 0 DIADHO CN1C(C)(C)CC([NH2+]C(C)(C)Cc2ccccc2F)CC1(C)C ZINC001171623635 1051180437 /nfs/dbraw/zinc/18/04/37/1051180437.db2.gz FCXNJBLQFVFBMH-UHFFFAOYSA-N 1 3 320.496 4.388 20 0 DIADHO C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)c2ccccc21 ZINC001171622913 1051180681 /nfs/dbraw/zinc/18/06/81/1051180681.db2.gz CNDXWEPKSQYEKI-RDTXWAMCSA-N 1 3 300.490 4.476 20 0 DIADHO CN1C(C)(C)CC([N@H+](C)[C@H]2CCc3ccccc32)CC1(C)C ZINC001171644825 1051181977 /nfs/dbraw/zinc/18/19/77/1051181977.db2.gz PTPWGWIJOAPTNN-SFHVURJKSA-N 1 3 300.490 4.257 20 0 DIADHO CN1C(C)(C)CC([N@@H+](C)[C@H]2CCc3ccccc32)CC1(C)C ZINC001171644825 1051181978 /nfs/dbraw/zinc/18/19/78/1051181978.db2.gz PTPWGWIJOAPTNN-SFHVURJKSA-N 1 3 300.490 4.257 20 0 DIADHO Cc1ccc(CC[C@@H](C)N2CCC([NH3+])(CC3CCC3)CC2)cc1 ZINC001171666833 1051189862 /nfs/dbraw/zinc/18/98/62/1051189862.db2.gz QVPZJPWUNCSZGB-GOSISDBHSA-N 1 3 314.517 4.300 20 0 DIADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@]1(C)Cc1ccccc1Cl ZINC001171900111 1051236621 /nfs/dbraw/zinc/23/66/21/1051236621.db2.gz HIIQSNAMORKZSY-HKUYNNGSSA-N 1 3 320.908 4.221 20 0 DIADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@@]1(C)Cc1ccccc1Cl ZINC001171900111 1051236628 /nfs/dbraw/zinc/23/66/28/1051236628.db2.gz HIIQSNAMORKZSY-HKUYNNGSSA-N 1 3 320.908 4.221 20 0 DIADHO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1)c1cccnc1 ZINC001171966022 1051249757 /nfs/dbraw/zinc/24/97/57/1051249757.db2.gz SDYBQQRGWBKNDR-XLIONFOSSA-N 1 3 323.484 4.175 20 0 DIADHO C[C@@H](c1ccccc1Cl)[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172131097 1051293179 /nfs/dbraw/zinc/29/31/79/1051293179.db2.gz UWTBAPNXPYXKQV-JONQDZQNSA-N 1 3 306.881 4.348 20 0 DIADHO C[C@@H](c1ccccc1Cl)[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172131097 1051293185 /nfs/dbraw/zinc/29/31/85/1051293185.db2.gz UWTBAPNXPYXKQV-JONQDZQNSA-N 1 3 306.881 4.348 20 0 DIADHO Cc1cc([C@H](C)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1Cl ZINC001172110794 1051301061 /nfs/dbraw/zinc/30/10/61/1051301061.db2.gz PHVUBAFBWNQMJY-LLLHUVSDSA-N 1 3 306.881 4.314 20 0 DIADHO Cc1cc([C@H](C)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1Cl ZINC001172110794 1051301072 /nfs/dbraw/zinc/30/10/72/1051301072.db2.gz PHVUBAFBWNQMJY-LLLHUVSDSA-N 1 3 306.881 4.314 20 0 DIADHO CC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)c1cc(F)ccc1F ZINC001172112106 1051302184 /nfs/dbraw/zinc/30/21/84/1051302184.db2.gz TUFBIKZMWYSOLD-KRXQYRFLSA-N 1 3 308.416 4.021 20 0 DIADHO CC[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(Cl)c1 ZINC001172109708 1051302538 /nfs/dbraw/zinc/30/25/38/1051302538.db2.gz KDHRIRHWBBDOLK-ZJPYXAASSA-N 1 3 306.881 4.396 20 0 DIADHO CC[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1 ZINC001172109708 1051302543 /nfs/dbraw/zinc/30/25/43/1051302543.db2.gz KDHRIRHWBBDOLK-ZJPYXAASSA-N 1 3 306.881 4.396 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1csc3ccccc13)C2 ZINC001172115855 1051304883 /nfs/dbraw/zinc/30/48/83/1051304883.db2.gz FRMMOSRFYGBQQA-MUJYYYPQSA-N 1 3 300.471 4.006 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1csc3ccccc13)C2 ZINC001172115855 1051304892 /nfs/dbraw/zinc/30/48/92/1051304892.db2.gz FRMMOSRFYGBQQA-MUJYYYPQSA-N 1 3 300.471 4.006 20 0 DIADHO CC(C)c1ccc([C@@H](C)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172113961 1051305882 /nfs/dbraw/zinc/30/58/82/1051305882.db2.gz KZOAJKZTRADMGO-XLNTUCKNSA-N 1 3 300.490 4.476 20 0 DIADHO CC(C)c1ccc([C@@H](C)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172113961 1051305891 /nfs/dbraw/zinc/30/58/91/1051305891.db2.gz KZOAJKZTRADMGO-XLNTUCKNSA-N 1 3 300.490 4.476 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1c1cc(F)ccc1F)C2 ZINC001172124355 1051306165 /nfs/dbraw/zinc/30/61/65/1051306165.db2.gz KTNJFEUGUWBKEK-RCJHGTSTSA-N 1 3 320.427 4.117 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H]1c1cc(F)ccc1F)C2 ZINC001172124355 1051306178 /nfs/dbraw/zinc/30/61/78/1051306178.db2.gz KTNJFEUGUWBKEK-RCJHGTSTSA-N 1 3 320.427 4.117 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(C)(C)c1cccc(Cl)c1)C2 ZINC001172117570 1051306618 /nfs/dbraw/zinc/30/66/18/1051306618.db2.gz MPQRZTJLTXOKMN-OSYLJGHBSA-N 1 3 306.881 4.180 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(C)(C)c1cccc(Cl)c1)C2 ZINC001172117570 1051306628 /nfs/dbraw/zinc/30/66/28/1051306628.db2.gz MPQRZTJLTXOKMN-OSYLJGHBSA-N 1 3 306.881 4.180 20 0 DIADHO CC[C@@H](C)OCC[C@@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001172337691 1051361113 /nfs/dbraw/zinc/36/11/13/1051361113.db2.gz QQMHFPVKOILYMI-QZTJIDSGSA-N 1 3 324.553 4.214 20 0 DIADHO C[NH+](C)CCCCNCc1c(Cl)ccc(Cl)c1Cl ZINC000045598310 1051363945 /nfs/dbraw/zinc/36/39/45/1051363945.db2.gz VOWBOJFLCCDQFM-UHFFFAOYSA-N 1 3 309.668 4.078 20 0 DIADHO C[C@@H]1CC[C@H]([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)C[C@H]1C ZINC001172367384 1051377818 /nfs/dbraw/zinc/37/78/18/1051377818.db2.gz KQZIRGJHKKLKGN-XSYGEPLQSA-N 1 3 304.522 4.221 20 0 DIADHO CC(C)COCC[C@H](C)[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172477543 1051402786 /nfs/dbraw/zinc/40/27/86/1051402786.db2.gz AWICQRNBMAIFBL-SFHVURJKSA-N 1 3 324.553 4.167 20 0 DIADHO CC(C)COCC[C@H](C)[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172477543 1051402792 /nfs/dbraw/zinc/40/27/92/1051402792.db2.gz AWICQRNBMAIFBL-SFHVURJKSA-N 1 3 324.553 4.167 20 0 DIADHO CC[N@H+](C)C1CCN([C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172550259 1051433191 /nfs/dbraw/zinc/43/31/91/1051433191.db2.gz VSPSDQJMUJQOTA-UYAOXDASSA-N 1 3 300.490 4.129 20 0 DIADHO CC[N@@H+](C)C1CCN([C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172550259 1051433194 /nfs/dbraw/zinc/43/31/94/1051433194.db2.gz VSPSDQJMUJQOTA-UYAOXDASSA-N 1 3 300.490 4.129 20 0 DIADHO CCN(C)C1CC[NH+]([C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172550259 1051433196 /nfs/dbraw/zinc/43/31/96/1051433196.db2.gz VSPSDQJMUJQOTA-UYAOXDASSA-N 1 3 300.490 4.129 20 0 DIADHO C[C@H](NC1CCC([NH+]2CCCCC2)CC1)c1cc(F)ccc1F ZINC000766512760 1051457641 /nfs/dbraw/zinc/45/76/41/1051457641.db2.gz MKXZLGRFQHZUOW-OOHWJJMZSA-N 1 3 322.443 4.413 20 0 DIADHO CCN(Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC)CC1 ZINC001169262335 1051559112 /nfs/dbraw/zinc/55/91/12/1051559112.db2.gz YIJHZCPURMIBMJ-UHFFFAOYSA-N 1 3 314.395 4.012 20 0 DIADHO C[C@@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccsc1 ZINC000178234357 1051564414 /nfs/dbraw/zinc/56/44/14/1051564414.db2.gz NULAEJDPPSRDSH-HUUCEWRRSA-N 1 3 320.527 4.372 20 0 DIADHO C[C@@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccsc1 ZINC000178234357 1051564422 /nfs/dbraw/zinc/56/44/22/1051564422.db2.gz NULAEJDPPSRDSH-HUUCEWRRSA-N 1 3 320.527 4.372 20 0 DIADHO [NH3+][C@@H]1CCN(Cc2ccc(/C=C/c3ccccc3)cc2)CC[C@@H]1F ZINC001206185416 1051588371 /nfs/dbraw/zinc/58/83/71/1051588371.db2.gz NOFVMTCUUMSCMM-GELBITPBSA-N 1 3 324.443 4.118 20 0 DIADHO [NH3+][C@H]1CCN(Cc2ccc(/C=C/c3ccccc3)cc2)CC[C@H]1F ZINC001206185417 1051588578 /nfs/dbraw/zinc/58/85/78/1051588578.db2.gz NOFVMTCUUMSCMM-IRXJPXPOSA-N 1 3 324.443 4.118 20 0 DIADHO CCCN1C[C@@H]2C[NH+](C3CCC4(CCCCC4)CC3)C[C@H]2C1 ZINC001173120506 1051615161 /nfs/dbraw/zinc/61/51/61/1051615161.db2.gz FULGCHNCSVCFPM-QZTJIDSGSA-N 1 3 304.522 4.153 20 0 DIADHO CCc1ccc(C[C@@H](C)[NH2+]C2CCN(C(CC)CC)CC2)cc1 ZINC001173237932 1051673595 /nfs/dbraw/zinc/67/35/95/1051673595.db2.gz GPXFHJVGQRPHQP-QGZVFWFLSA-N 1 3 316.533 4.423 20 0 DIADHO CC[C@H]1CC[C@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001173293389 1051674974 /nfs/dbraw/zinc/67/49/74/1051674974.db2.gz KUXMFGDGJMDRCN-ICSRJNTNSA-N 1 3 312.501 4.163 20 0 DIADHO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc2nc[nH]c2c1C ZINC001169698626 1051677458 /nfs/dbraw/zinc/67/74/58/1051677458.db2.gz SAJMKVLCASKDKJ-OAHLLOKOSA-N 1 3 306.413 4.111 20 0 DIADHO Cc1ccccc1[C@H](C)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183183580 1051710128 /nfs/dbraw/zinc/71/01/28/1051710128.db2.gz GRFNZKPMNHBKLH-OKZBNKHCSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccccc1[C@H](C)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183183580 1051710140 /nfs/dbraw/zinc/71/01/40/1051710140.db2.gz GRFNZKPMNHBKLH-OKZBNKHCSA-N 1 3 300.490 4.299 20 0 DIADHO CSc1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000768169192 1051891989 /nfs/dbraw/zinc/89/19/89/1051891989.db2.gz RRZGTFHGAOBJEA-UHFFFAOYSA-N 1 3 314.498 4.102 20 0 DIADHO CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)o1 ZINC000195139621 1052037197 /nfs/dbraw/zinc/03/71/97/1052037197.db2.gz LOGPTBMMDQRVDR-SJLPKXTDSA-N 1 3 312.457 4.015 20 0 DIADHO CC[N@H+](C)C[C@@H]1CCN(Cc2ccccc2-c2ccccc2)C1 ZINC000769517208 1052073169 /nfs/dbraw/zinc/07/31/69/1052073169.db2.gz ZYIGEKBLQCKZAS-SFHVURJKSA-N 1 3 308.469 4.127 20 0 DIADHO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2-c2ccccc2)C1 ZINC000769517208 1052073182 /nfs/dbraw/zinc/07/31/82/1052073182.db2.gz ZYIGEKBLQCKZAS-SFHVURJKSA-N 1 3 308.469 4.127 20 0 DIADHO CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC000769517208 1052073193 /nfs/dbraw/zinc/07/31/93/1052073193.db2.gz ZYIGEKBLQCKZAS-SFHVURJKSA-N 1 3 308.469 4.127 20 0 DIADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC000769517208 1052073199 /nfs/dbraw/zinc/07/31/99/1052073199.db2.gz ZYIGEKBLQCKZAS-SFHVURJKSA-N 1 3 308.469 4.127 20 0 DIADHO Cc1ccccc1[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000494890122 1052158656 /nfs/dbraw/zinc/15/86/56/1052158656.db2.gz MMMAJBWEHMOVGD-QKNQBKEWSA-N 1 3 312.501 4.443 20 0 DIADHO Cc1ccccc1[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000494890122 1052158663 /nfs/dbraw/zinc/15/86/63/1052158663.db2.gz MMMAJBWEHMOVGD-QKNQBKEWSA-N 1 3 312.501 4.443 20 0 DIADHO Cc1ccccc1[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000494890120 1052159163 /nfs/dbraw/zinc/15/91/63/1052159163.db2.gz MMMAJBWEHMOVGD-IRFCIJBXSA-N 1 3 312.501 4.443 20 0 DIADHO Cc1ccccc1[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000494890120 1052159175 /nfs/dbraw/zinc/15/91/75/1052159175.db2.gz MMMAJBWEHMOVGD-IRFCIJBXSA-N 1 3 312.501 4.443 20 0 DIADHO CC(C)CN1CCC([NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000642339996 1052395130 /nfs/dbraw/zinc/39/51/30/1052395130.db2.gz OBGKBOJNULUHFT-UHFFFAOYSA-N 1 3 302.506 4.194 20 0 DIADHO Cc1ccc([C@@H](C)CCN2CCCC[C@@]3(CCCC[NH2+]C3)C2)o1 ZINC001222155295 1052453085 /nfs/dbraw/zinc/45/30/85/1052453085.db2.gz ZNJLPPPSSPPUTO-FXAWDEMLSA-N 1 3 318.505 4.327 20 0 DIADHO c1cc2c(cccc2CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)o1 ZINC001222171408 1052455975 /nfs/dbraw/zinc/45/59/75/1052455975.db2.gz BGSUPFOVLFUVDV-HXUWFJFHSA-N 1 3 312.457 4.179 20 0 DIADHO C[C@H](C[N@@H+]1CCC[C@]12CCCNC2)c1cccc2ccccc21 ZINC001222231622 1052464967 /nfs/dbraw/zinc/46/49/67/1052464967.db2.gz OJYMUIRFRWGWPX-UTKZUKDTSA-N 1 3 308.469 4.161 20 0 DIADHO C[C@H](C[N@H+]1CCC[C@]12CCCNC2)c1cccc2ccccc21 ZINC001222231622 1052464970 /nfs/dbraw/zinc/46/49/70/1052464970.db2.gz OJYMUIRFRWGWPX-UTKZUKDTSA-N 1 3 308.469 4.161 20 0 DIADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC/C=C/c1ccccc1 ZINC000398007161 1052561901 /nfs/dbraw/zinc/56/19/01/1052561901.db2.gz ZSOFFMWZFURAKI-RMFZZGRPSA-N 1 3 320.480 4.200 20 0 DIADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC/C=C/c1ccccc1 ZINC000398007161 1052561910 /nfs/dbraw/zinc/56/19/10/1052561910.db2.gz ZSOFFMWZFURAKI-RMFZZGRPSA-N 1 3 320.480 4.200 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@@H](C)C(c2ccccc2)c2ccccc2)C1 ZINC000124154637 1052637703 /nfs/dbraw/zinc/63/77/03/1052637703.db2.gz BPGPHKLBTWVOKX-OALUTQOASA-N 1 3 322.496 4.138 20 0 DIADHO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2ccccc2s1 ZINC000126451803 1052670440 /nfs/dbraw/zinc/67/04/40/1052670440.db2.gz BRRCZYWMBBMGKQ-NUEKZKHPSA-N 1 3 300.471 4.179 20 0 DIADHO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc2ccccc2s1 ZINC000126451803 1052670443 /nfs/dbraw/zinc/67/04/43/1052670443.db2.gz BRRCZYWMBBMGKQ-NUEKZKHPSA-N 1 3 300.471 4.179 20 0 DIADHO C[C@@H](CN[C@@H](C)c1cc2ccccc2s1)C[NH+]1CCCC1 ZINC000126555012 1052671567 /nfs/dbraw/zinc/67/15/67/1052671567.db2.gz YNIBEUNRQYJPOT-GJZGRUSLSA-N 1 3 302.487 4.284 20 0 DIADHO CN1CCCC[C@H]1CC[N@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000556888111 1052894719 /nfs/dbraw/zinc/89/47/19/1052894719.db2.gz XUDOVFDKOBDXOD-FQEVSTJZSA-N 1 3 323.484 4.055 20 0 DIADHO CN1CCCC[C@H]1CC[N@@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000556888111 1052894722 /nfs/dbraw/zinc/89/47/22/1052894722.db2.gz XUDOVFDKOBDXOD-FQEVSTJZSA-N 1 3 323.484 4.055 20 0 DIADHO CCN1CCC[C@@H](C[NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC001319199192 1053227159 /nfs/dbraw/zinc/22/71/59/1053227159.db2.gz RWBAVNCFVXETBV-BBRMVZONSA-N 1 3 324.921 4.198 20 0 DIADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2cc(Cl)cc(Cl)c2)C1 ZINC001319199013 1053227584 /nfs/dbraw/zinc/22/75/84/1053227584.db2.gz LSXLBOYEXKSXIR-QWHCGFSZSA-N 1 3 315.288 4.376 20 0 DIADHO CCN1CCC[C@@H](C[NH2+][C@@H]2CCSc3c(Cl)cccc32)C1 ZINC001319281843 1053232493 /nfs/dbraw/zinc/23/24/93/1053232493.db2.gz DDQMHIXDXRLPCD-XJKSGUPXSA-N 1 3 324.921 4.198 20 0 DIADHO Fc1cccc2c1CCC[C@@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000449352428 1053270521 /nfs/dbraw/zinc/27/05/21/1053270521.db2.gz UYFIFRHPWKQDGX-FQEVSTJZSA-N 1 3 316.464 4.200 20 0 DIADHO CCN1CCC[C@@H](C[NH2+][C@H](c2ccc(C)o2)C2CCCC2)C1 ZINC001319935721 1053286416 /nfs/dbraw/zinc/28/64/16/1053286416.db2.gz XBAIRLYDMIBYGI-LPHOPBHVSA-N 1 3 304.478 4.141 20 0 DIADHO CCN1CCC[C@H](C[NH2+][C@H](c2ccc(C)o2)C2CCCC2)C1 ZINC001319935720 1053286542 /nfs/dbraw/zinc/28/65/42/1053286542.db2.gz XBAIRLYDMIBYGI-APWZRJJASA-N 1 3 304.478 4.141 20 0 DIADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2cc3ccc(C)cc3o2)C1 ZINC001320867433 1053368439 /nfs/dbraw/zinc/36/84/39/1053368439.db2.gz VWFRUJPPQMXVJM-HZPDHXFCSA-N 1 3 300.446 4.124 20 0 DIADHO CC1(C)CC[N@H+](Cc2cccc(CC3CCC3)c2)CC(C)(C)N1 ZINC001474755884 1053395528 /nfs/dbraw/zinc/39/55/28/1053395528.db2.gz ULZNMWQWCNBALW-UHFFFAOYSA-N 1 3 314.517 4.382 20 0 DIADHO CC1(C)CC[N@@H+](Cc2cccc(CC3CCC3)c2)CC(C)(C)N1 ZINC001474755884 1053395545 /nfs/dbraw/zinc/39/55/45/1053395545.db2.gz ULZNMWQWCNBALW-UHFFFAOYSA-N 1 3 314.517 4.382 20 0 DIADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2cc3cc(Cl)ccc3o2)C1 ZINC001323472759 1053582192 /nfs/dbraw/zinc/58/21/92/1053582192.db2.gz PIUKASJHJYUCAU-KGLIPLIRSA-N 1 3 320.864 4.469 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2ccc(C)c(Cl)c2)CC1 ZINC001231424923 1053749682 /nfs/dbraw/zinc/74/96/82/1053749682.db2.gz KMLMSNUZFQZYAI-UHFFFAOYSA-N 1 3 308.897 4.345 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2ccc(C)c(Cl)c2)CC1 ZINC001231424923 1053749695 /nfs/dbraw/zinc/74/96/95/1053749695.db2.gz KMLMSNUZFQZYAI-UHFFFAOYSA-N 1 3 308.897 4.345 20 0 DIADHO CCCN1CCC([NH2+]Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000620878596 1053771551 /nfs/dbraw/zinc/77/15/51/1053771551.db2.gz YFYZDDGVWJLLCK-UHFFFAOYSA-N 1 3 324.468 4.443 20 0 DIADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CCCC3(CCCC3)C2)c1 ZINC001232143852 1053970659 /nfs/dbraw/zinc/97/06/59/1053970659.db2.gz DDURBZSMBQTVPK-UHFFFAOYSA-N 1 3 304.453 4.044 20 0 DIADHO CN(C)Cc1cc(F)cc(C[N@H+]2CCCC3(CCCC3)C2)c1 ZINC001232143852 1053970669 /nfs/dbraw/zinc/97/06/69/1053970669.db2.gz DDURBZSMBQTVPK-UHFFFAOYSA-N 1 3 304.453 4.044 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1nccc2ccccc21 ZINC001232252715 1054007452 /nfs/dbraw/zinc/00/74/52/1054007452.db2.gz YCFPXBISOCYBBW-RBUKOAKNSA-N 1 3 323.484 4.074 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1nccc2ccccc21 ZINC001232252715 1054007465 /nfs/dbraw/zinc/00/74/65/1054007465.db2.gz YCFPXBISOCYBBW-RBUKOAKNSA-N 1 3 323.484 4.074 20 0 DIADHO Cc1cc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)sc1C ZINC001233693302 1054335350 /nfs/dbraw/zinc/33/53/50/1054335350.db2.gz UEGMFQYSAMXSOK-DLBZAZTESA-N 1 3 306.519 4.204 20 0 DIADHO Cc1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)sc1C ZINC001233693302 1054335363 /nfs/dbraw/zinc/33/53/63/1054335363.db2.gz UEGMFQYSAMXSOK-DLBZAZTESA-N 1 3 306.519 4.204 20 0 DIADHO Cc1cc(CN2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)sc1C ZINC001233693302 1054335377 /nfs/dbraw/zinc/33/53/77/1054335377.db2.gz UEGMFQYSAMXSOK-DLBZAZTESA-N 1 3 306.519 4.204 20 0 DIADHO Cc1cc(CN2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)sc1C ZINC001233693302 1054335386 /nfs/dbraw/zinc/33/53/86/1054335386.db2.gz UEGMFQYSAMXSOK-DLBZAZTESA-N 1 3 306.519 4.204 20 0 DIADHO Cc1sccc1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000339293401 1054496203 /nfs/dbraw/zinc/49/62/03/1054496203.db2.gz MYETZFMHPYFXLC-BEFAXECRSA-N 1 3 314.498 4.199 20 0 DIADHO Cc1sccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000339293401 1054496208 /nfs/dbraw/zinc/49/62/08/1054496208.db2.gz MYETZFMHPYFXLC-BEFAXECRSA-N 1 3 314.498 4.199 20 0 DIADHO C[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1cc2ccccc2s1 ZINC000623409761 1054588396 /nfs/dbraw/zinc/58/83/96/1054588396.db2.gz OCUDWENNWWETKE-DZGCQCFKSA-N 1 3 302.487 4.425 20 0 DIADHO C[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cc2ccccc2s1 ZINC000623409761 1054588412 /nfs/dbraw/zinc/58/84/12/1054588412.db2.gz OCUDWENNWWETKE-DZGCQCFKSA-N 1 3 302.487 4.425 20 0 DIADHO Cc1c2ccccc2sc1CN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235042362 1054645701 /nfs/dbraw/zinc/64/57/01/1054645701.db2.gz AXRRFFNACRVEND-IBGZPJMESA-N 1 3 314.498 4.318 20 0 DIADHO c1cc(C2CCCCC2)ccc1C[N@@H+]1CCCC12CCNCC2 ZINC001235144976 1054664970 /nfs/dbraw/zinc/66/49/70/1054664970.db2.gz UKLDHMLPZZUHLY-UHFFFAOYSA-N 1 3 312.501 4.452 20 0 DIADHO c1cc(C2CCCCC2)ccc1C[N@H+]1CCCC12CCNCC2 ZINC001235144976 1054664975 /nfs/dbraw/zinc/66/49/75/1054664975.db2.gz UKLDHMLPZZUHLY-UHFFFAOYSA-N 1 3 312.501 4.452 20 0 DIADHO c1csc(-c2ccc(C[N@@H+]3CCCC34CCNCC4)cc2)c1 ZINC001235145234 1054665143 /nfs/dbraw/zinc/66/51/43/1054665143.db2.gz RMOSDSJSHIPHGZ-UHFFFAOYSA-N 1 3 312.482 4.133 20 0 DIADHO c1csc(-c2ccc(C[N@H+]3CCCC34CCNCC4)cc2)c1 ZINC001235145234 1054665152 /nfs/dbraw/zinc/66/51/52/1054665152.db2.gz RMOSDSJSHIPHGZ-UHFFFAOYSA-N 1 3 312.482 4.133 20 0 DIADHO c1cc(-c2csc(CN3CCCC34CC[NH2+]CC4)c2)cs1 ZINC001235145322 1054667930 /nfs/dbraw/zinc/66/79/30/1054667930.db2.gz UDOGUDFZEFDDDL-UHFFFAOYSA-N 1 3 318.511 4.195 20 0 DIADHO c1cc(-c2csc(C[N@@H+]3CCCC34CCNCC4)c2)cs1 ZINC001235145322 1054667932 /nfs/dbraw/zinc/66/79/32/1054667932.db2.gz UDOGUDFZEFDDDL-UHFFFAOYSA-N 1 3 318.511 4.195 20 0 DIADHO c1cc(-c2csc(C[N@H+]3CCCC34CCNCC4)c2)cs1 ZINC001235145322 1054667934 /nfs/dbraw/zinc/66/79/34/1054667934.db2.gz UDOGUDFZEFDDDL-UHFFFAOYSA-N 1 3 318.511 4.195 20 0 DIADHO CC(C)(C)c1ccc(C[N@@H+]2CCCCC23CCNCC3)cc1 ZINC001235190452 1054680896 /nfs/dbraw/zinc/68/08/96/1054680896.db2.gz IHLFUJZZGFRBJP-UHFFFAOYSA-N 1 3 300.490 4.092 20 0 DIADHO CC(C)(C)c1ccc(C[N@H+]2CCCCC23CCNCC3)cc1 ZINC001235190452 1054680901 /nfs/dbraw/zinc/68/09/01/1054680901.db2.gz IHLFUJZZGFRBJP-UHFFFAOYSA-N 1 3 300.490 4.092 20 0 DIADHO CC(C)(C)c1ccc(CN2CCCCC23CC[NH2+]CC3)cc1 ZINC001235190452 1054680905 /nfs/dbraw/zinc/68/09/05/1054680905.db2.gz IHLFUJZZGFRBJP-UHFFFAOYSA-N 1 3 300.490 4.092 20 0 DIADHO Cc1cc(Cl)ccc1CN1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235229268 1054687381 /nfs/dbraw/zinc/68/73/81/1054687381.db2.gz PSXNTWYIOHVYNG-SFHVURJKSA-N 1 3 306.881 4.003 20 0 DIADHO Cc1ccc(Cl)c(CN2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235237893 1054689207 /nfs/dbraw/zinc/68/92/07/1054689207.db2.gz NQUVEGPPRLCJAA-GOSISDBHSA-N 1 3 306.881 4.003 20 0 DIADHO Cc1cccc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)c1Cl ZINC001235238615 1054689502 /nfs/dbraw/zinc/68/95/02/1054689502.db2.gz QSJUQQZRFMHDAA-QGZVFWFLSA-N 1 3 306.881 4.003 20 0 DIADHO Cc1cc(Cl)cc(CN2CCC(C3CC[NH+](C)CC3)CC2)c1 ZINC001235529434 1054737207 /nfs/dbraw/zinc/73/72/07/1054737207.db2.gz KUJPBWUDUWDVQB-UHFFFAOYSA-N 1 3 320.908 4.202 20 0 DIADHO [NH3+]C[C@@H]1CCCN(Cc2ccc(/C=C/c3ccccc3)cc2)C1 ZINC001235674537 1054769503 /nfs/dbraw/zinc/76/95/03/1054769503.db2.gz GRVWAQMINJTWLH-SHBDEGQCSA-N 1 3 306.453 4.028 20 0 DIADHO [NH3+]Cc1cccc(CN2CCC[C@H]2c2ccccc2Cl)c1 ZINC001235693603 1054780879 /nfs/dbraw/zinc/78/08/79/1054780879.db2.gz DNPRLTOOKQPPID-SFHVURJKSA-N 1 3 300.833 4.136 20 0 DIADHO CCN(Cc1ccc(C2CCCCC2)cc1)C1CC[NH2+]CC1 ZINC001235765302 1054801102 /nfs/dbraw/zinc/80/11/02/1054801102.db2.gz ZIBTUKHNVKIEND-UHFFFAOYSA-N 1 3 300.490 4.308 20 0 DIADHO CC[N@H+](Cc1ccc(C2CCCCC2)cc1)C1CCNCC1 ZINC001235765302 1054801108 /nfs/dbraw/zinc/80/11/08/1054801108.db2.gz ZIBTUKHNVKIEND-UHFFFAOYSA-N 1 3 300.490 4.308 20 0 DIADHO CC[N@@H+](Cc1ccc(C2CCCCC2)cc1)C1CCNCC1 ZINC001235765302 1054801114 /nfs/dbraw/zinc/80/11/14/1054801114.db2.gz ZIBTUKHNVKIEND-UHFFFAOYSA-N 1 3 300.490 4.308 20 0 DIADHO C[C@H]1CC[C@H](N)C[N@@H+]1Cc1cccc2c3ccccc3sc21 ZINC001235906858 1054842672 /nfs/dbraw/zinc/84/26/72/1054842672.db2.gz OZVOESBSVQDIRG-ZFWWWQNUSA-N 1 3 310.466 4.366 20 0 DIADHO C[C@H]1CC[C@H](N)C[N@H+]1Cc1cccc2c3ccccc3sc21 ZINC001235906858 1054842677 /nfs/dbraw/zinc/84/26/77/1054842677.db2.gz OZVOESBSVQDIRG-ZFWWWQNUSA-N 1 3 310.466 4.366 20 0 DIADHO C[C@@H]1CC[C@H](N)C[N@@H+]1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001235908542 1054844425 /nfs/dbraw/zinc/84/44/25/1054844425.db2.gz YFSBDJZRIJWFLJ-WBVHZDCISA-N 1 3 319.452 4.147 20 0 DIADHO C[C@@H]1CC[C@H](N)C[N@H+]1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001235908542 1054844431 /nfs/dbraw/zinc/84/44/31/1054844431.db2.gz YFSBDJZRIJWFLJ-WBVHZDCISA-N 1 3 319.452 4.147 20 0 DIADHO C[C@@H](c1ccc(Cl)cc1)N(C)Cc1cc2c(s1)C[NH2+]CC2 ZINC001235952544 1054866690 /nfs/dbraw/zinc/86/66/90/1054866690.db2.gz ZFOOVDLENBZNHH-LBPRGKRZSA-N 1 3 320.889 4.240 20 0 DIADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(-c2ccncc2)c1 ZINC000624121155 1054884788 /nfs/dbraw/zinc/88/47/88/1054884788.db2.gz PGUNOGZCHHVZFK-ZWKOTPCHSA-N 1 3 323.484 4.131 20 0 DIADHO C[C@H]([NH3+])c1ccccc1-c1cccc(CN2CCCCC2)c1F ZINC001236016147 1054899471 /nfs/dbraw/zinc/89/94/71/1054899471.db2.gz UICRPISTNCCKPZ-HNNXBMFYSA-N 1 3 312.432 4.498 20 0 DIADHO [NH3+]Cc1cccc(-c2cccc(CN3CCCCC3)c2F)c1F ZINC001236016967 1054901621 /nfs/dbraw/zinc/90/16/21/1054901621.db2.gz JVMNMDGPJLZREY-UHFFFAOYSA-N 1 3 316.395 4.076 20 0 DIADHO [NH3+]C1(c2cccc(-c3cccc(CN4CCCCC4)c3F)c2)CC1 ZINC001236015916 1054901683 /nfs/dbraw/zinc/90/16/83/1054901683.db2.gz ACJHXPCFTYDSBV-UHFFFAOYSA-N 1 3 324.443 4.426 20 0 DIADHO [NH3+][C@@H]1CCc2ccc(-c3cccc(CN4CCCCC4)c3F)cc21 ZINC001236016855 1054901758 /nfs/dbraw/zinc/90/17/58/1054901758.db2.gz GNLFVUKHZWIPGJ-HXUWFJFHSA-N 1 3 324.443 4.425 20 0 DIADHO C[C@H]1C[C@H](N)C[N@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001236046368 1054911796 /nfs/dbraw/zinc/91/17/96/1054911796.db2.gz GBBOMCHLAFRART-ZFWWWQNUSA-N 1 3 310.466 4.224 20 0 DIADHO C[C@H]1C[C@H](N)C[N@@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001236046368 1054911809 /nfs/dbraw/zinc/91/18/09/1054911809.db2.gz GBBOMCHLAFRART-ZFWWWQNUSA-N 1 3 310.466 4.224 20 0 DIADHO Clc1cccc([C@H]2CCCN2Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC001236152722 1054970738 /nfs/dbraw/zinc/97/07/38/1054970738.db2.gz XFWAIOUJAMBTLG-LJQANCHMSA-N 1 3 312.844 4.280 20 0 DIADHO CN(Cc1cc2c(s1)C[NH2+]CC2)Cc1ccc2ccccc2c1 ZINC001236185029 1054984711 /nfs/dbraw/zinc/98/47/11/1054984711.db2.gz YZECDOCEXZDRFD-UHFFFAOYSA-N 1 3 322.477 4.179 20 0 DIADHO C[NH2+]C1CCC(N(C)Cc2cc(F)c(Cl)cc2Cl)CC1 ZINC001236215218 1055002433 /nfs/dbraw/zinc/00/24/33/1055002433.db2.gz KZHBPNAHUZZURE-UHFFFAOYSA-N 1 3 319.251 4.095 20 0 DIADHO Cn1c2ccccc2c2cc(C[N@H+](C)[C@@H]3CCCC[C@H]3N)ccc21 ZINC001236219202 1055008687 /nfs/dbraw/zinc/00/86/87/1055008687.db2.gz VQCGSDUNJHUGOA-WIYYLYMNSA-N 1 3 321.468 4.033 20 0 DIADHO Cn1c2ccccc2c2cc(C[N@@H+](C)[C@@H]3CCCC[C@H]3N)ccc21 ZINC001236219202 1055008700 /nfs/dbraw/zinc/00/87/00/1055008700.db2.gz VQCGSDUNJHUGOA-WIYYLYMNSA-N 1 3 321.468 4.033 20 0 DIADHO Cc1csc2sc(C[N@@H+](C)[C@@H]3CCCC[C@@H]3N)c(C)c12 ZINC001236219467 1055011153 /nfs/dbraw/zinc/01/11/53/1055011153.db2.gz WOMJRZQNLVCXLJ-QWHCGFSZSA-N 1 3 308.516 4.281 20 0 DIADHO Cc1csc2sc(C[N@H+](C)[C@@H]3CCCC[C@@H]3N)c(C)c12 ZINC001236219467 1055011166 /nfs/dbraw/zinc/01/11/66/1055011166.db2.gz WOMJRZQNLVCXLJ-QWHCGFSZSA-N 1 3 308.516 4.281 20 0 DIADHO CN(Cc1c(Cl)cccc1C(F)(F)F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224643 1055014353 /nfs/dbraw/zinc/01/43/53/1055014353.db2.gz UKFNEASIPOMHOR-XYPYZODXSA-N 1 3 320.786 4.061 20 0 DIADHO [NH3+][C@@H]1CCc2c1cccc2-c1ccc(CN2CCCCC2)c(F)c1 ZINC001236249953 1055033779 /nfs/dbraw/zinc/03/37/79/1055033779.db2.gz FHHIFVYWMBJGHN-OAQYLSRUSA-N 1 3 324.443 4.425 20 0 DIADHO C[NH2+]Cc1ccccc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001236258222 1055040931 /nfs/dbraw/zinc/04/09/31/1055040931.db2.gz KSSZRALFNVXATL-UHFFFAOYSA-N 1 3 312.432 4.198 20 0 DIADHO c1cc(C2CC2)ccc1C[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236374450 1055082731 /nfs/dbraw/zinc/08/27/31/1055082731.db2.gz CQFQDYALLYQSLU-GOSISDBHSA-N 1 3 312.501 4.308 20 0 DIADHO c1cc(C2CC2)ccc1C[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236374450 1055082744 /nfs/dbraw/zinc/08/27/44/1055082744.db2.gz CQFQDYALLYQSLU-GOSISDBHSA-N 1 3 312.501 4.308 20 0 DIADHO Cc1ccc(C[N@H+](C[C@H]2CCCNC2)C2CCCC2)c(C)c1 ZINC001236374417 1055082985 /nfs/dbraw/zinc/08/29/85/1055082985.db2.gz RBLZUISXWIRBFO-SFHVURJKSA-N 1 3 300.490 4.048 20 0 DIADHO Cc1ccc(C[N@@H+](C[C@H]2CCCNC2)C2CCCC2)c(C)c1 ZINC001236374417 1055082997 /nfs/dbraw/zinc/08/29/97/1055082997.db2.gz RBLZUISXWIRBFO-SFHVURJKSA-N 1 3 300.490 4.048 20 0 DIADHO CSc1ccccc1CN(C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375975 1055083393 /nfs/dbraw/zinc/08/33/93/1055083393.db2.gz NUQOTXWVGBQMFW-MRXNPFEDSA-N 1 3 318.530 4.153 20 0 DIADHO C[C@H](NCCSc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185681769 1055094712 /nfs/dbraw/zinc/09/47/12/1055094712.db2.gz SNQRUZMWXUMVIR-DLBZAZTESA-N 1 3 318.530 4.021 20 0 DIADHO C[C@H](NCCSc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185681769 1055094721 /nfs/dbraw/zinc/09/47/21/1055094721.db2.gz SNQRUZMWXUMVIR-DLBZAZTESA-N 1 3 318.530 4.021 20 0 DIADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccccc1 ZINC000185667138 1055094923 /nfs/dbraw/zinc/09/49/23/1055094923.db2.gz BZZDHYGIZVKXJY-ZIFCJYIRSA-N 1 3 300.490 4.033 20 0 DIADHO CCN(Cc1cccc(-c2ccc(C)cc2)c1)C[C@H]1CC[NH2+]C1 ZINC001236408129 1055099669 /nfs/dbraw/zinc/09/96/69/1055099669.db2.gz LGIRKRUYIBTLJK-IBGZPJMESA-N 1 3 308.469 4.093 20 0 DIADHO CCN(Cc1ccccc1-c1ccccc1C)C[C@H]1CC[NH2+]C1 ZINC001236408408 1055101110 /nfs/dbraw/zinc/10/11/10/1055101110.db2.gz LNSSHFALMTYUDX-SFHVURJKSA-N 1 3 308.469 4.093 20 0 DIADHO CCN(Cc1sc2scc(C)c2c1C)C[C@@H]1CC[NH2+]C1 ZINC001236410297 1055101989 /nfs/dbraw/zinc/10/19/89/1055101989.db2.gz YLDKIEPIGMKOSD-CYBMUJFWSA-N 1 3 308.516 4.011 20 0 DIADHO CCN(Cc1cccc(-c2ccccc2)c1C)C[C@H]1CC[NH2+]C1 ZINC001236412787 1055103603 /nfs/dbraw/zinc/10/36/03/1055103603.db2.gz YKAVPKFRQSJIAZ-SFHVURJKSA-N 1 3 308.469 4.093 20 0 DIADHO CC(C)(C)C[N@H+](Cc1ccc(C2CC2)cc1)C1CCNCC1 ZINC001236457916 1055124435 /nfs/dbraw/zinc/12/44/35/1055124435.db2.gz QMYPUFLGEIXEIM-UHFFFAOYSA-N 1 3 300.490 4.164 20 0 DIADHO CC(C)(C)C[N@@H+](Cc1ccc(C2CC2)cc1)C1CCNCC1 ZINC001236457916 1055124442 /nfs/dbraw/zinc/12/44/42/1055124442.db2.gz QMYPUFLGEIXEIM-UHFFFAOYSA-N 1 3 300.490 4.164 20 0 DIADHO CC(C)c1ccccc1C[N@H+](CC(C)(C)C)C1CCNCC1 ZINC001236456660 1055125020 /nfs/dbraw/zinc/12/50/20/1055125020.db2.gz COUYFVZHVRNXKC-UHFFFAOYSA-N 1 3 302.506 4.410 20 0 DIADHO CC(C)c1ccccc1C[N@@H+](CC(C)(C)C)C1CCNCC1 ZINC001236456660 1055125028 /nfs/dbraw/zinc/12/50/28/1055125028.db2.gz COUYFVZHVRNXKC-UHFFFAOYSA-N 1 3 302.506 4.410 20 0 DIADHO [NH3+]Cc1cccc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1F ZINC001236475073 1055133777 /nfs/dbraw/zinc/13/37/77/1055133777.db2.gz LNBZMJODBHWNIB-MOPGFXCFSA-N 1 3 322.427 4.105 20 0 DIADHO CCC[C@H](C)C[N@H+](Cc1cc(C)cc(F)c1)C1CCNCC1 ZINC001236480483 1055137250 /nfs/dbraw/zinc/13/72/50/1055137250.db2.gz GAMKHRKWNYSVNS-HNNXBMFYSA-N 1 3 306.469 4.124 20 0 DIADHO CCC[C@H](C)C[N@@H+](Cc1cc(C)cc(F)c1)C1CCNCC1 ZINC001236480483 1055137255 /nfs/dbraw/zinc/13/72/55/1055137255.db2.gz GAMKHRKWNYSVNS-HNNXBMFYSA-N 1 3 306.469 4.124 20 0 DIADHO CCC[C@H](C)CN(Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236480483 1055137259 /nfs/dbraw/zinc/13/72/59/1055137259.db2.gz GAMKHRKWNYSVNS-HNNXBMFYSA-N 1 3 306.469 4.124 20 0 DIADHO CCC[C@H](C)C[N@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001236509125 1055152297 /nfs/dbraw/zinc/15/22/97/1055152297.db2.gz GWEJSKBZSGOBOL-HNNXBMFYSA-N 1 3 306.469 4.124 20 0 DIADHO CCC[C@H](C)C[N@@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001236509125 1055152304 /nfs/dbraw/zinc/15/23/04/1055152304.db2.gz GWEJSKBZSGOBOL-HNNXBMFYSA-N 1 3 306.469 4.124 20 0 DIADHO CCC[C@H](C)CN(Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236509125 1055152309 /nfs/dbraw/zinc/15/23/09/1055152309.db2.gz GWEJSKBZSGOBOL-HNNXBMFYSA-N 1 3 306.469 4.124 20 0 DIADHO Cc1ccc(F)cc1C[N@H+](C[C@H]1CC=CCC1)C1CCNCC1 ZINC001236509716 1055153016 /nfs/dbraw/zinc/15/30/16/1055153016.db2.gz QCNZGIPKILKLRR-KRWDZBQOSA-N 1 3 316.464 4.044 20 0 DIADHO Cc1ccc(F)cc1C[N@@H+](C[C@H]1CC=CCC1)C1CCNCC1 ZINC001236509716 1055153021 /nfs/dbraw/zinc/15/30/21/1055153021.db2.gz QCNZGIPKILKLRR-KRWDZBQOSA-N 1 3 316.464 4.044 20 0 DIADHO [NH3+][C@H]1CC[C@H](N(Cc2ccsc2)Cc2ccccc2F)CC1 ZINC001236533989 1055165157 /nfs/dbraw/zinc/16/51/57/1055165157.db2.gz LWNZDPMODSWPEV-QAQDUYKDSA-N 1 3 318.461 4.159 20 0 DIADHO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000381982994 1055195245 /nfs/dbraw/zinc/19/52/45/1055195245.db2.gz NJURHLPIJIILJH-RLLQIKCJSA-N 1 3 300.490 4.067 20 0 DIADHO CCCN(Cc1ccc2oc3ccccc3c2c1)C[C@H]1CC[NH2+]C1 ZINC001236836488 1055282619 /nfs/dbraw/zinc/28/26/19/1055282619.db2.gz WHONKIOZXXHAJM-KRWDZBQOSA-N 1 3 322.452 4.408 20 0 DIADHO CCCN(Cc1cccc(-c2ccccc2)c1C)C[C@@H]1CC[NH2+]C1 ZINC001236843207 1055286719 /nfs/dbraw/zinc/28/67/19/1055286719.db2.gz LPHOTFBGBOBUMI-LJQANCHMSA-N 1 3 322.496 4.484 20 0 DIADHO CCCN(Cc1ccc(Cc2ccccc2)cc1)C[C@H]1CC[NH2+]C1 ZINC001236844509 1055290235 /nfs/dbraw/zinc/29/02/35/1055290235.db2.gz VKOHGBKAUVDOTQ-QFIPXVFZSA-N 1 3 322.496 4.099 20 0 DIADHO Cc1cccc(CN2CCC(C3CC[NH+](C)CC3)CC2)c1Cl ZINC001236852716 1055292895 /nfs/dbraw/zinc/29/28/95/1055292895.db2.gz DOODUXORCMZNON-UHFFFAOYSA-N 1 3 320.908 4.202 20 0 DIADHO C[C@H](NC/C=C\c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383944346 1055308928 /nfs/dbraw/zinc/30/89/28/1055308928.db2.gz VQHYBIOYLBHOTP-NQMAKTNFSA-N 1 3 320.480 4.200 20 0 DIADHO C[C@H](NC/C=C\c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383944346 1055308949 /nfs/dbraw/zinc/30/89/49/1055308949.db2.gz VQHYBIOYLBHOTP-NQMAKTNFSA-N 1 3 320.480 4.200 20 0 DIADHO C[C@H]([NH2+]C/C=C\c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000383944346 1055308967 /nfs/dbraw/zinc/30/89/67/1055308967.db2.gz VQHYBIOYLBHOTP-NQMAKTNFSA-N 1 3 320.480 4.200 20 0 DIADHO c1ccc(-c2ccc(C3CCN(C[C@H]4CC[NH2+]C4)CC3)cc2)cc1 ZINC001237042087 1055347638 /nfs/dbraw/zinc/34/76/38/1055347638.db2.gz JSVUKNMJAKKPBX-SFHVURJKSA-N 1 3 320.480 4.143 20 0 DIADHO c1ccc(-c2ccc(C3CCN(C[C@@H]4CC[NH2+]C4)CC3)cc2)cc1 ZINC001237042086 1055348046 /nfs/dbraw/zinc/34/80/46/1055348046.db2.gz JSVUKNMJAKKPBX-GOSISDBHSA-N 1 3 320.480 4.143 20 0 DIADHO CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@](C)(CN)C1 ZINC001237056035 1055356772 /nfs/dbraw/zinc/35/67/72/1055356772.db2.gz FUAMPSPHNNXKEU-FQEVSTJZSA-N 1 3 313.489 4.026 20 0 DIADHO CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@@](C)(CN)C1 ZINC001237056035 1055356783 /nfs/dbraw/zinc/35/67/83/1055356783.db2.gz FUAMPSPHNNXKEU-FQEVSTJZSA-N 1 3 313.489 4.026 20 0 DIADHO CC(C)CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001620872958 1055501794 /nfs/dbraw/zinc/50/17/94/1055501794.db2.gz LLIZUYUQANHCJX-NJDAHSKKSA-N 1 3 314.517 4.313 20 0 DIADHO CC(C)C1=NCCc2ccc(C[NH+]3C[C@@H]4CCCC[C@H]4C3)cc21 ZINC001237881855 1055548930 /nfs/dbraw/zinc/54/89/30/1055548930.db2.gz WWXVNUIKLYCNPO-OALUTQOASA-N 1 3 310.485 4.310 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@@H+]3CC[C@@H]4CCC[C@@H]4C3)cc21 ZINC001237875566 1055548991 /nfs/dbraw/zinc/54/89/91/1055548991.db2.gz APZDLNBREZTJRG-PKOBYXMFSA-N 1 3 310.485 4.310 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@H+]3CC[C@@H]4CCC[C@@H]4C3)cc21 ZINC001237875566 1055549002 /nfs/dbraw/zinc/54/90/02/1055549002.db2.gz APZDLNBREZTJRG-PKOBYXMFSA-N 1 3 310.485 4.310 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@H+](C)CC3CC(F)(F)C3)cc21 ZINC001237886037 1055550779 /nfs/dbraw/zinc/55/07/79/1055550779.db2.gz JYADGMGHRRBKIJ-UHFFFAOYSA-N 1 3 320.427 4.165 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@@H+](C)CC3CC(F)(F)C3)cc21 ZINC001237886037 1055550792 /nfs/dbraw/zinc/55/07/92/1055550792.db2.gz JYADGMGHRRBKIJ-UHFFFAOYSA-N 1 3 320.427 4.165 20 0 DIADHO CC[NH+](CC)Cc1ccc(CNCc2cc(C)cc(C)c2)cc1 ZINC000057625724 1055785482 /nfs/dbraw/zinc/78/54/82/1055785482.db2.gz JEPOSZDKRUSPCB-UHFFFAOYSA-N 1 3 310.485 4.435 20 0 DIADHO CCCN1CCC([NH2+]Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000061016361 1055860505 /nfs/dbraw/zinc/86/05/05/1055860505.db2.gz ZURQAMJLCBRBPW-UHFFFAOYSA-N 1 3 308.469 4.318 20 0 DIADHO Cc1ccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)cc1C ZINC001620999331 1055967882 /nfs/dbraw/zinc/96/78/82/1055967882.db2.gz MGFPENFREDCTJA-UHFFFAOYSA-N 1 3 314.517 4.233 20 0 DIADHO Cc1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)cc1C ZINC001620999331 1055967894 /nfs/dbraw/zinc/96/78/94/1055967894.db2.gz MGFPENFREDCTJA-UHFFFAOYSA-N 1 3 314.517 4.233 20 0 DIADHO C[C@H]1CCC[N@H+](CCCCNCc2ccc(F)cc2Cl)C1 ZINC001620724622 1055987115 /nfs/dbraw/zinc/98/71/15/1055987115.db2.gz FSGFLFGYHPPJOS-AWEZNQCLSA-N 1 3 312.860 4.081 20 0 DIADHO C[C@H]1CCC[N@@H+](CCCCNCc2ccc(F)cc2Cl)C1 ZINC001620724622 1055987126 /nfs/dbraw/zinc/98/71/26/1055987126.db2.gz FSGFLFGYHPPJOS-AWEZNQCLSA-N 1 3 312.860 4.081 20 0 DIADHO CC1CC[NH+](CCCCNCc2cccc(Cl)c2F)CC1 ZINC001620724441 1055987458 /nfs/dbraw/zinc/98/74/58/1055987458.db2.gz XEGHQOVLKBIRQZ-UHFFFAOYSA-N 1 3 312.860 4.081 20 0 DIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)C1 ZINC001620819087 1056107457 /nfs/dbraw/zinc/10/74/57/1056107457.db2.gz MCQVSTCMAJXPGJ-NHCUHLMSSA-N 1 3 308.469 4.316 20 0 DIADHO CC(C)[NH+]1CCC(N[C@H](C)c2csc3ccccc32)CC1 ZINC000765834887 1056287449 /nfs/dbraw/zinc/28/74/49/1056287449.db2.gz SURKIEXIFHWHIQ-CQSZACIVSA-N 1 3 302.487 4.425 20 0 DIADHO COc1ccc(-c2ccc(C[NH+]3CCCC3)cc2)cc1CN(C)C ZINC001240060554 1056295496 /nfs/dbraw/zinc/29/54/96/1056295496.db2.gz MPQGNFIITSQDFL-UHFFFAOYSA-N 1 3 324.468 4.020 20 0 DIADHO CCN(CC)CCC[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474878427 1056369240 /nfs/dbraw/zinc/36/92/40/1056369240.db2.gz MVJQTOWSSZZGCD-WLYUNCDWSA-N 1 3 308.432 4.065 20 0 DIADHO CN1CCC[C@H]1CC[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC001616382371 1056647411 /nfs/dbraw/zinc/64/74/11/1056647411.db2.gz KJDVDABZAPZJNF-PMACEKPBSA-N 1 3 300.490 4.382 20 0 DIADHO [NH3+]C1CCN(Cc2ccccc2-c2ccc3ccccc3c2)CC1 ZINC001240910438 1056755418 /nfs/dbraw/zinc/75/54/18/1056755418.db2.gz AVWSCFMCXWPNHS-UHFFFAOYSA-N 1 3 316.448 4.430 20 0 DIADHO CCCC[NH+]1CCC(N(C)[C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168743208 1057137704 /nfs/dbraw/zinc/13/77/04/1057137704.db2.gz JYBSCCIBOGWGCR-QGZVFWFLSA-N 1 3 320.908 4.004 20 0 DIADHO C[C@H](c1ccncc1)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000675641662 1057391301 /nfs/dbraw/zinc/39/13/01/1057391301.db2.gz RDJZYEAINAYOGW-ZWKOTPCHSA-N 1 3 315.505 4.119 20 0 DIADHO C[C@H](c1ccncc1)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000675641662 1057391306 /nfs/dbraw/zinc/39/13/06/1057391306.db2.gz RDJZYEAINAYOGW-ZWKOTPCHSA-N 1 3 315.505 4.119 20 0 DIADHO C[NH2+]Cc1cccc(-c2ccc(CN3CCCCC3)c(F)c2)c1 ZINC001242999258 1057540851 /nfs/dbraw/zinc/54/08/51/1057540851.db2.gz GKOSWCKGJSCUAT-UHFFFAOYSA-N 1 3 312.432 4.198 20 0 DIADHO Cc1ccccc1[C@H](CC(C)C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000161660954 1057599857 /nfs/dbraw/zinc/59/98/57/1057599857.db2.gz SGWNKSIGJIFGTR-GGPKGHCWSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccccc1[C@H](CC(C)C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161660954 1057599862 /nfs/dbraw/zinc/59/98/62/1057599862.db2.gz SGWNKSIGJIFGTR-GGPKGHCWSA-N 1 3 300.490 4.299 20 0 DIADHO Fc1ccc2c(c1)[C@H](NCc1ccc(C[NH+]3CCCC3)cc1)CC2 ZINC000174983878 1057699972 /nfs/dbraw/zinc/69/99/72/1057699972.db2.gz BZNDNHVXMYZFEA-OAQYLSRUSA-N 1 3 324.443 4.199 20 0 DIADHO c1ccc([C@@H]2C[C@H](N[C@H](c3ccncc3)C3CCC3)CC[NH2+]2)cc1 ZINC001550351847 1058339402 /nfs/dbraw/zinc/33/94/02/1058339402.db2.gz SLDUAVMSHINFEF-HKBOAZHASA-N 1 3 321.468 4.006 20 0 DIADHO c1ccc(C(C[NH2+][C@H]2CCNC3(CCC3)C2)c2ccccc2)cc1 ZINC001246070705 1058663352 /nfs/dbraw/zinc/66/33/52/1058663352.db2.gz DTSOWAAITLRJQD-FQEVSTJZSA-N 1 3 320.480 4.083 20 0 DIADHO c1ccc(C[C@@H]2C[C@@H]([NH2+][C@@H]3CCCc4ccccc43)CCN2)cc1 ZINC001246077788 1058666509 /nfs/dbraw/zinc/66/65/09/1058666509.db2.gz KHQOGQMBIWPNBM-TUNNFDKTSA-N 1 3 320.480 4.017 20 0 DIADHO Clc1ccc(C2CCC(N[C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246091369 1058675380 /nfs/dbraw/zinc/67/53/80/1058675380.db2.gz PQBXBVDPFHZONN-VJFUWPCTSA-N 1 3 306.881 4.098 20 0 DIADHO CC1(C)C[C@H]([NH2+]CCc2ccc(Oc3ccccc3)cc2)CCN1 ZINC001246158726 1058703654 /nfs/dbraw/zinc/70/36/54/1058703654.db2.gz LRKNGCXRNOAZOL-GOSISDBHSA-N 1 3 324.468 4.142 20 0 DIADHO CC1(C)C[C@H](NCCc2ccc(Oc3ccccc3)cc2)CC[NH2+]1 ZINC001246158726 1058703672 /nfs/dbraw/zinc/70/36/72/1058703672.db2.gz LRKNGCXRNOAZOL-GOSISDBHSA-N 1 3 324.468 4.142 20 0 DIADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)c1 ZINC001246174044 1058714762 /nfs/dbraw/zinc/71/47/62/1058714762.db2.gz WLOUGVOESOKJPS-WMQCIHAUSA-N 1 3 308.469 4.009 20 0 DIADHO CCCC[C@@H]1C[C@@H](NCCCOc2cccc(Cl)c2)CC[NH2+]1 ZINC001246172976 1058716399 /nfs/dbraw/zinc/71/63/99/1058716399.db2.gz FLANOTTWBCHACM-SJORKVTESA-N 1 3 324.896 4.009 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)CCN1 ZINC001246175316 1058718532 /nfs/dbraw/zinc/71/85/32/1058718532.db2.gz IQAHSZRNKJPFLG-GHBBCFCZSA-N 1 3 314.517 4.469 20 0 DIADHO CC[C@@H]1CC(NCCCOc2cccc(Cl)c2)C[C@@H](CC)[NH2+]1 ZINC001246176740 1058720089 /nfs/dbraw/zinc/72/00/89/1058720089.db2.gz RHDKDQDLVNWRIW-HZPDHXFCSA-N 1 3 324.896 4.008 20 0 DIADHO CC[C@H]1C[C@@H](NCC(C)(c2ccccc2)c2ccccc2)CC[NH2+]1 ZINC001246177606 1058723819 /nfs/dbraw/zinc/72/38/19/1058723819.db2.gz CBYJLZHNYABNQH-SFTDATJTSA-N 1 3 322.496 4.113 20 0 DIADHO c1ccc(C2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4)CCCCC2)cc1 ZINC001246177357 1058724761 /nfs/dbraw/zinc/72/47/61/1058724761.db2.gz MYKYXSXYCHFVGZ-ACDBMABISA-N 1 3 312.501 4.151 20 0 DIADHO CC[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CCCCC2)CCN1 ZINC001246183370 1058725508 /nfs/dbraw/zinc/72/55/08/1058725508.db2.gz WTLXATPMDKTVNW-MOPGFXCFSA-N 1 3 300.490 4.009 20 0 DIADHO CC[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CCCCC2)CCN1 ZINC001246183373 1058726941 /nfs/dbraw/zinc/72/69/41/1058726941.db2.gz WTLXATPMDKTVNW-OALUTQOASA-N 1 3 300.490 4.009 20 0 DIADHO CC[C@@H]1C[C@@H](NC2(c3ccccc3)CCCCCC2)CC[NH2+]1 ZINC001246192829 1058733010 /nfs/dbraw/zinc/73/30/10/1058733010.db2.gz COJKXYABEUPWMT-MOPGFXCFSA-N 1 3 300.490 4.356 20 0 DIADHO CC[C@H]1C[C@H]([NH2+]CCC(c2ccccc2)c2ccccc2)CCN1 ZINC001246233401 1058757336 /nfs/dbraw/zinc/75/73/36/1058757336.db2.gz JSQPWWIDIYTVKC-LEWJYISDSA-N 1 3 322.496 4.329 20 0 DIADHO CCC[C@H](N[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246239720 1058761353 /nfs/dbraw/zinc/76/13/53/1058761353.db2.gz LDMOFXCKOBTOGB-BDTNDASRSA-N 1 3 322.496 4.481 20 0 DIADHO CCC[C@H]([NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246239720 1058761372 /nfs/dbraw/zinc/76/13/72/1058761372.db2.gz LDMOFXCKOBTOGB-BDTNDASRSA-N 1 3 322.496 4.481 20 0 DIADHO CC[C@@H]1C[C@@H]([NH2+]CCCc2ccc(Cl)cc2Cl)CCN1 ZINC001246254412 1058772928 /nfs/dbraw/zinc/77/29/28/1058772928.db2.gz HBDBLXLBECRYLY-CABCVRRESA-N 1 3 315.288 4.046 20 0 DIADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)c2ccccc21 ZINC001246259722 1058779854 /nfs/dbraw/zinc/77/98/54/1058779854.db2.gz PMRZXQSTNRXQEB-KIQACKJLSA-N 1 3 320.480 4.188 20 0 DIADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)c1 ZINC001246267735 1058783580 /nfs/dbraw/zinc/78/35/80/1058783580.db2.gz WLOUGVOESOKJPS-UIFIKXQLSA-N 1 3 308.469 4.009 20 0 DIADHO Cc1cccc([C@@H](C)[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)c1 ZINC001246267733 1058783674 /nfs/dbraw/zinc/78/36/74/1058783674.db2.gz WLOUGVOESOKJPS-QMMLZNLJSA-N 1 3 308.469 4.009 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CCN1 ZINC001246280355 1058796561 /nfs/dbraw/zinc/79/65/61/1058796561.db2.gz TXVOQOHQJAOAMA-WUCCLRPBSA-N 1 3 320.443 4.111 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CCN1 ZINC001246303501 1058809901 /nfs/dbraw/zinc/80/99/01/1058809901.db2.gz IKDATFRYXAGWGX-QYZOEREBSA-N 1 3 320.908 4.098 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CCN1 ZINC001246303499 1058813209 /nfs/dbraw/zinc/81/32/09/1058813209.db2.gz IKDATFRYXAGWGX-QRVBRYPASA-N 1 3 320.908 4.098 20 0 DIADHO CC[C@@H](N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccc(F)c1 ZINC001246318080 1058830440 /nfs/dbraw/zinc/83/04/40/1058830440.db2.gz PTRMZUBPWMEJFK-XUVXKRRUSA-N 1 3 312.432 4.360 20 0 DIADHO C[C@@H](CSc1ccc(Cl)cc1)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246330567 1058842826 /nfs/dbraw/zinc/84/28/26/1058842826.db2.gz CUABWYYVBAEJCH-ARLBYUKCSA-N 1 3 324.921 4.083 20 0 DIADHO Clc1ccc(C2(NC3CCCCCC3)CC[NH2+]CC2)cc1 ZINC001246335159 1058844187 /nfs/dbraw/zinc/84/41/87/1058844187.db2.gz GXQRQQWXLVLMJD-UHFFFAOYSA-N 1 3 306.881 4.231 20 0 DIADHO CC1(C)CC[C@H](NC2(c3ccc(Cl)cc3)CC[NH2+]CC2)C1 ZINC001246342169 1058852427 /nfs/dbraw/zinc/85/24/27/1058852427.db2.gz QUVJFBMFWKTOQN-INIZCTEOSA-N 1 3 306.881 4.087 20 0 DIADHO CC(C)c1ccc(CCN[C@H]2CC[NH2+]C3(CCCCC3)C2)cc1 ZINC001246343622 1058856638 /nfs/dbraw/zinc/85/66/38/1058856638.db2.gz NKWWCPUVPKFXEL-FQEVSTJZSA-N 1 3 314.517 4.397 20 0 DIADHO CC(C)CC1([NH2+]C2C[C@@H](C)N[C@H](C)C2)CCC(F)(F)CC1 ZINC001246368474 1058875263 /nfs/dbraw/zinc/87/52/63/1058875263.db2.gz OCOYYIDOIZSDDZ-ZIAGYGMSSA-N 1 3 302.453 4.099 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+]C(C)(C)Cc2ccccc2C)CCN1 ZINC001246373956 1058876703 /nfs/dbraw/zinc/87/67/03/1058876703.db2.gz SIBRSGOGSICQIB-RTBURBONSA-N 1 3 302.506 4.217 20 0 DIADHO CC[C@@H]1C[C@@H]([NH2+]C2(CC(C)C)CCC(F)(F)CC2)CCN1 ZINC001246372275 1058878325 /nfs/dbraw/zinc/87/83/25/1058878325.db2.gz ZMJCWMLXKCTNJN-CABCVRRESA-N 1 3 302.453 4.101 20 0 DIADHO CC[C@H](CC(C)C)[NH2+]C1(c2ccccc2Cl)CCNCC1 ZINC001246374616 1058880855 /nfs/dbraw/zinc/88/08/55/1058880855.db2.gz FYSYHSZDHNNJCZ-OAHLLOKOSA-N 1 3 308.897 4.333 20 0 DIADHO CC1(C)CCC[C@H]([NH2+]C2(c3ccccc3Cl)CCNCC2)C1 ZINC001246375862 1058882952 /nfs/dbraw/zinc/88/29/52/1058882952.db2.gz SSKXESJOSRGXFY-HNNXBMFYSA-N 1 3 320.908 4.477 20 0 DIADHO COc1ccccc1C1([NH2+][C@H](C)CCCC(C)C)CCNCC1 ZINC001246378380 1058884915 /nfs/dbraw/zinc/88/49/15/1058884915.db2.gz XNJUKLBUGSNRRK-QGZVFWFLSA-N 1 3 318.505 4.078 20 0 DIADHO CC[C@H]1CC[C@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)C1 ZINC001246379659 1058884974 /nfs/dbraw/zinc/88/49/74/1058884974.db2.gz ACYJFMYEMFQVEY-RDJZCZTQSA-N 1 3 320.908 4.173 20 0 DIADHO CC[C@H](C)C[C@H](CC)NC1(c2ccc(OC)cc2)CC[NH2+]CC1 ZINC001246381348 1058886519 /nfs/dbraw/zinc/88/65/19/1058886519.db2.gz PRMUBLKBVIHNAQ-WMZOPIPTSA-N 1 3 318.505 4.078 20 0 DIADHO CC[C@@H](C)C[C@H](CC)NC1(c2ccc(OC)cc2)CC[NH2+]CC1 ZINC001246381344 1058887282 /nfs/dbraw/zinc/88/72/82/1058887282.db2.gz PRMUBLKBVIHNAQ-AEFFLSMTSA-N 1 3 318.505 4.078 20 0 DIADHO CC[C@H](C)C[C@H](CC)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246381926 1058889036 /nfs/dbraw/zinc/88/90/36/1058889036.db2.gz UTSMYKHEVAFXNV-WMZOPIPTSA-N 1 3 320.496 4.295 20 0 DIADHO CC1(C)CCC[C@H]([NH2+]C2(Cc3ccccc3F)CCNCC2)C1 ZINC001246381730 1058890216 /nfs/dbraw/zinc/89/02/16/1058890216.db2.gz RSZXDDRXBNMAFN-KRWDZBQOSA-N 1 3 318.480 4.049 20 0 DIADHO CCCC(CCC)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246382658 1058890331 /nfs/dbraw/zinc/89/03/31/1058890331.db2.gz ZFFRJNLBQJEPBV-UHFFFAOYSA-N 1 3 306.469 4.049 20 0 DIADHO CC[C@H](C)C[C@H](CC)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246387669 1058891467 /nfs/dbraw/zinc/89/14/67/1058891467.db2.gz BVMKKQREIKOXRK-LPHOPBHVSA-N 1 3 320.496 4.295 20 0 DIADHO CC[C@@H](CC(C)C)[NH2+]C1(Cc2ccc(Cl)cc2)CCNCC1 ZINC001246388809 1058892401 /nfs/dbraw/zinc/89/24/01/1058892401.db2.gz GSCOFUURJMOWBE-SFHVURJKSA-N 1 3 322.924 4.419 20 0 DIADHO CC[C@@H]1C[C@@H](NC2(Cc3cccc(F)c3)CCC2)C[C@H](CC)[NH2+]1 ZINC001246388467 1058892731 /nfs/dbraw/zinc/89/27/31/1058892731.db2.gz HQEBJYWVKPNVFC-REPLKXPHSA-N 1 3 318.480 4.190 20 0 DIADHO Cc1cccc(C(C)(C)[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)c1 ZINC001246388908 1058892996 /nfs/dbraw/zinc/89/29/96/1058892996.db2.gz NOIZFAIAALAWHR-LEWJYISDSA-N 1 3 322.496 4.183 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H](NC2(Cc3cccc(F)c3)CCC2)CC[NH2+]1 ZINC001246395333 1058899279 /nfs/dbraw/zinc/89/92/79/1058899279.db2.gz VELCFMQPIDEXFY-MSOLQXFVSA-N 1 3 318.480 4.047 20 0 DIADHO CC1CCC([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)CC1 ZINC001246396773 1058900781 /nfs/dbraw/zinc/90/07/81/1058900781.db2.gz YTGVMAWUZRCYPZ-UHFFFAOYSA-N 1 3 320.908 4.173 20 0 DIADHO CCCCC[C@@H](CC)NC1(c2cccc(OC)c2)CC[NH2+]CC1 ZINC001246413534 1058913077 /nfs/dbraw/zinc/91/30/77/1058913077.db2.gz DNLYIUUXHZEOAJ-GOSISDBHSA-N 1 3 318.505 4.222 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+]C2(CC)CCC(F)(F)CC2)CCN1 ZINC001246417303 1058916765 /nfs/dbraw/zinc/91/67/65/1058916765.db2.gz UFHNNFORUPRPFJ-CABCVRRESA-N 1 3 302.453 4.245 20 0 DIADHO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)c1 ZINC001246415255 1058917780 /nfs/dbraw/zinc/91/77/80/1058917780.db2.gz NTSMFWWFVMRYLE-TYPHKJRUSA-N 1 3 322.496 4.317 20 0 DIADHO CCOc1ccc([C@@H](C)N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC001246414919 1058919773 /nfs/dbraw/zinc/91/97/73/1058919773.db2.gz VDSNDAKDFZEPGE-OZOXKJRCSA-N 1 3 324.468 4.229 20 0 DIADHO CCCCCC[C@@H](CC)[NH2+]C1(Cc2cccnc2)CCNCC1 ZINC001246423354 1058920153 /nfs/dbraw/zinc/92/01/53/1058920153.db2.gz ZMVFEHLUKMRYDA-LJQANCHMSA-N 1 3 317.521 4.085 20 0 DIADHO CC1CCC([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)CC1 ZINC001246427425 1058920970 /nfs/dbraw/zinc/92/09/70/1058920970.db2.gz GKRDOQZOYZJVBQ-UHFFFAOYSA-N 1 3 320.908 4.173 20 0 DIADHO CC(C)(C[NH2+][C@@H]1CCN[C@H](C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001246430510 1058921794 /nfs/dbraw/zinc/92/17/94/1058921794.db2.gz GGJMJXRECPUYOZ-MSOLQXFVSA-N 1 3 320.496 4.151 20 0 DIADHO c1ccc(C2(NC3CCC4(CCCC4)CC3)CC[NH2+]CC2)cc1 ZINC001246427678 1058922863 /nfs/dbraw/zinc/92/28/63/1058922863.db2.gz FNGZVCLQPYRYDO-UHFFFAOYSA-N 1 3 312.501 4.358 20 0 DIADHO CC1(C)CC[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)C1 ZINC001246429197 1058922931 /nfs/dbraw/zinc/92/29/31/1058922931.db2.gz NXOUUYPVCJCTOT-KRWDZBQOSA-N 1 3 320.908 4.173 20 0 DIADHO C[C@@H]1CCC[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)C1 ZINC001246426476 1058923259 /nfs/dbraw/zinc/92/32/59/1058923259.db2.gz BRDIFZJNEVOQKR-QAPCUYQASA-N 1 3 320.908 4.173 20 0 DIADHO Clc1cccc(C2(NC3CCC4(CC4)CC3)CC[NH2+]CC2)c1 ZINC001246431382 1058926847 /nfs/dbraw/zinc/92/68/47/1058926847.db2.gz SIRPPJGYAYPSGP-UHFFFAOYSA-N 1 3 318.892 4.231 20 0 DIADHO CCCC[C@@H](CCC)NC1(c2cccc(F)c2)CC[NH2+]CC1 ZINC001246437895 1058929056 /nfs/dbraw/zinc/92/90/56/1058929056.db2.gz ORAQARCDWGUHQF-GOSISDBHSA-N 1 3 306.469 4.353 20 0 DIADHO CC[C@H](CC(C)C)NC1(c2cccc(Cl)c2)CC[NH2+]CC1 ZINC001246438520 1058931156 /nfs/dbraw/zinc/93/11/56/1058931156.db2.gz QPWCGWGLPJWZLR-QGZVFWFLSA-N 1 3 308.897 4.333 20 0 DIADHO CCCC[C@@H]1C[C@@H](NC2(Cc3ccccc3F)CCC2)CC[NH2+]1 ZINC001246435485 1058932143 /nfs/dbraw/zinc/93/21/43/1058932143.db2.gz RPJWSDQLFGTDME-MSOLQXFVSA-N 1 3 318.480 4.191 20 0 DIADHO CCCC[C@H]1C[C@@H](NCC2(Cc3ccccc3F)CC2)CC[NH2+]1 ZINC001246440104 1058932850 /nfs/dbraw/zinc/93/28/50/1058932850.db2.gz RLMZSBLLCFVWFB-ROUUACIJSA-N 1 3 318.480 4.049 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3F)CC2)CCN1 ZINC001246440104 1058932863 /nfs/dbraw/zinc/93/28/63/1058932863.db2.gz RLMZSBLLCFVWFB-ROUUACIJSA-N 1 3 318.480 4.049 20 0 DIADHO Cc1ccccc1C(C)(C)[NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246440756 1058933436 /nfs/dbraw/zinc/93/34/36/1058933436.db2.gz XFEYSZZTEZOOOZ-UXHICEINSA-N 1 3 322.496 4.183 20 0 DIADHO Cc1ccc(CC[C@@H](C)[NH2+]C2(CC3CCC3)CCNCC2)cc1 ZINC001246447831 1058937256 /nfs/dbraw/zinc/93/72/56/1058937256.db2.gz RRYWEGJANAQIHZ-GOSISDBHSA-N 1 3 314.517 4.218 20 0 DIADHO c1ccc([C@@H]2CC[C@@H]([NH2+]C3(CC4CCC4)CCNCC3)C2)cc1 ZINC001246448433 1058937499 /nfs/dbraw/zinc/93/74/99/1058937499.db2.gz UKIUVFXKOOVEJF-WOJBJXKFSA-N 1 3 312.501 4.225 20 0 DIADHO CC(C)C1CCC([NH2+]C2(Cc3ccccc3)CCNCC2)CC1 ZINC001246449706 1058938004 /nfs/dbraw/zinc/93/80/04/1058938004.db2.gz CDQYWBVJFULGIM-UHFFFAOYSA-N 1 3 314.517 4.156 20 0 DIADHO CC[C@@H](C)C[C@@H](CC)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246452419 1058940772 /nfs/dbraw/zinc/94/07/72/1058940772.db2.gz FQGSXRJKZMCJQE-IEBWSBKVSA-N 1 3 302.506 4.156 20 0 DIADHO CC[C@@H](N[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccc(C)cc1 ZINC001246459622 1058945192 /nfs/dbraw/zinc/94/51/92/1058945192.db2.gz BZTBFZPVBCBYDB-YPAWHYETSA-N 1 3 322.496 4.399 20 0 DIADHO CC[C@@H]([NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1)c1ccc(C)cc1 ZINC001246459622 1058945213 /nfs/dbraw/zinc/94/52/13/1058945213.db2.gz BZTBFZPVBCBYDB-YPAWHYETSA-N 1 3 322.496 4.399 20 0 DIADHO Cc1ccc(C2(N[C@@H]3CC[NH2+][C@H](C)C3)CCC(F)(F)CC2)cc1 ZINC001246458348 1058946962 /nfs/dbraw/zinc/94/69/62/1058946962.db2.gz QLLLGUIFYUXNRG-NVXWUHKLSA-N 1 3 322.443 4.130 20 0 DIADHO Cc1ccc(C2([NH2+][C@@H]3CCN[C@H](C)C3)CCC(F)(F)CC2)cc1 ZINC001246458348 1058946980 /nfs/dbraw/zinc/94/69/80/1058946980.db2.gz QLLLGUIFYUXNRG-NVXWUHKLSA-N 1 3 322.443 4.130 20 0 DIADHO CC(C)=CCC[C@@H](C)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246465751 1058951955 /nfs/dbraw/zinc/95/19/55/1058951955.db2.gz RPKNOTSUKGBWMP-GOSISDBHSA-N 1 3 300.490 4.076 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCc3ccccc32)CCN1 ZINC001246466191 1058952656 /nfs/dbraw/zinc/95/26/56/1058952656.db2.gz NXDMIPQXHXKVEA-IPMKNSEASA-N 1 3 300.490 4.007 20 0 DIADHO CCCC[C@@H]1C[C@H](N[C@H]2CCCCc3ccccc32)CC[NH2+]1 ZINC001246499461 1058973931 /nfs/dbraw/zinc/97/39/31/1058973931.db2.gz YWKZOPPYTIVIQZ-GGPKGHCWSA-N 1 3 300.490 4.355 20 0 DIADHO CCCC[C@@H]1C[C@H](N[C@@H]2CCCCc3ccccc32)CC[NH2+]1 ZINC001246499463 1058975023 /nfs/dbraw/zinc/97/50/23/1058975023.db2.gz YWKZOPPYTIVIQZ-QWFCFKBJSA-N 1 3 300.490 4.355 20 0 DIADHO Fc1cccc2c1CCC[C@H]2N[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246500163 1058975627 /nfs/dbraw/zinc/97/56/27/1058975627.db2.gz PHRCZRKKBSFXBG-DQLDELGASA-N 1 3 324.443 4.286 20 0 DIADHO C[C@@H]1CC([NH+]2CCC(CCCc3ccccc3)CC2)C[C@@H](C)N1 ZINC001246535832 1058986818 /nfs/dbraw/zinc/98/68/18/1058986818.db2.gz MDMKBOWBASFAJC-QZTJIDSGSA-N 1 3 314.517 4.250 20 0 DIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)N1CCC[C@@H]([NH3+])CC1 ZINC001246542516 1058995236 /nfs/dbraw/zinc/99/52/36/1058995236.db2.gz PUPASPDXWBKVIT-GXTWGEPZSA-N 1 3 315.288 4.128 20 0 DIADHO CC(C)[C@@H]1C[C@@H](N2CCC(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246591974 1059016545 /nfs/dbraw/zinc/01/65/45/1059016545.db2.gz DMDWVBUOLCATHQ-OALUTQOASA-N 1 3 320.908 4.296 20 0 DIADHO CC(C)[C@H]1C[C@@H](N2CCC(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246591975 1059016726 /nfs/dbraw/zinc/01/67/26/1059016726.db2.gz DMDWVBUOLCATHQ-RBUKOAKNSA-N 1 3 320.908 4.296 20 0 DIADHO C[C@H]1CC([N@H+](Cc2ccccc2)C2CCCCC2)C[C@H](C)N1 ZINC001246595802 1059016790 /nfs/dbraw/zinc/01/67/90/1059016790.db2.gz IRIOQANTKNMFRZ-IRXDYDNUSA-N 1 3 300.490 4.350 20 0 DIADHO C[C@H]1CC([N@@H+](Cc2ccccc2)C2CCCCC2)C[C@H](C)N1 ZINC001246595802 1059016810 /nfs/dbraw/zinc/01/68/10/1059016810.db2.gz IRIOQANTKNMFRZ-IRXDYDNUSA-N 1 3 300.490 4.350 20 0 DIADHO CC(C)[C@H]1C[C@H](N2CCC(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246591977 1059017838 /nfs/dbraw/zinc/01/78/38/1059017838.db2.gz DMDWVBUOLCATHQ-RTBURBONSA-N 1 3 320.908 4.296 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1Cl)N1CCC[C@]12CCC[NH2+]CC2 ZINC001246609168 1059025266 /nfs/dbraw/zinc/02/52/66/1059025266.db2.gz XQRMKXGLQROVGF-KSSFIOAISA-N 1 3 324.871 4.018 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@]12CCCNC2 ZINC001246613425 1059029319 /nfs/dbraw/zinc/02/93/19/1059029319.db2.gz ZHYPYUACDNTXGB-UXHICEINSA-N 1 3 300.490 4.006 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@]12CCCNC2 ZINC001246613425 1059029342 /nfs/dbraw/zinc/02/93/42/1059029342.db2.gz ZHYPYUACDNTXGB-UXHICEINSA-N 1 3 300.490 4.006 20 0 DIADHO CCCC[C@H](Cc1ccccc1)N1CCC[C@]12CCC[NH2+]C2 ZINC001246613425 1059029364 /nfs/dbraw/zinc/02/93/64/1059029364.db2.gz ZHYPYUACDNTXGB-UXHICEINSA-N 1 3 300.490 4.006 20 0 DIADHO c1ccc2c(c1)CCCC21CC[NH+]([C@H]2CCNC3(CCC3)C2)CC1 ZINC001246618552 1059033180 /nfs/dbraw/zinc/03/31/80/1059033180.db2.gz HCEVQGRWEKOUJO-IBGZPJMESA-N 1 3 324.512 4.031 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)N1CC2CC1(C[NH3+])C2 ZINC001246643692 1059046335 /nfs/dbraw/zinc/04/63/35/1059046335.db2.gz CGWOTUANVHCZKE-LYGNXSNRSA-N 1 3 320.480 4.020 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2c2ccccc2C)CCN1 ZINC001246681382 1059062109 /nfs/dbraw/zinc/06/21/09/1059062109.db2.gz OBQOWYHEGKSHHT-HBFSDRIKSA-N 1 3 300.490 4.443 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2ccccc2C)CCN1 ZINC001246681382 1059062127 /nfs/dbraw/zinc/06/21/27/1059062127.db2.gz OBQOWYHEGKSHHT-HBFSDRIKSA-N 1 3 300.490 4.443 20 0 DIADHO C[C@@H]1CC(N2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)C[C@@H](C)C1 ZINC001246678491 1059064071 /nfs/dbraw/zinc/06/40/71/1059064071.db2.gz XLZJLERSDNKNKI-ZCLUNYJNSA-N 1 3 312.501 4.033 20 0 DIADHO CC[C@H](CC(C)C)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246683291 1059066690 /nfs/dbraw/zinc/06/66/90/1059066690.db2.gz IFUIJJUNWREXMD-PWRODBHTSA-N 1 3 314.517 4.064 20 0 DIADHO CC[C@H](CC(C)C)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246683291 1059066714 /nfs/dbraw/zinc/06/67/14/1059066714.db2.gz IFUIJJUNWREXMD-PWRODBHTSA-N 1 3 314.517 4.064 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2c2ccc(C)cc2)CCN1 ZINC001246782780 1059077547 /nfs/dbraw/zinc/07/75/47/1059077547.db2.gz UTHZWYSGRCNMLY-AABGKKOBSA-N 1 3 300.490 4.443 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2ccc(C)cc2)CCN1 ZINC001246782780 1059077568 /nfs/dbraw/zinc/07/75/68/1059077568.db2.gz UTHZWYSGRCNMLY-AABGKKOBSA-N 1 3 300.490 4.443 20 0 DIADHO CCCC[C@@H]1C[C@@H](N2CCC[C@H]2c2ccc(C)cc2)CC[NH2+]1 ZINC001246782780 1059077584 /nfs/dbraw/zinc/07/75/84/1059077584.db2.gz UTHZWYSGRCNMLY-AABGKKOBSA-N 1 3 300.490 4.443 20 0 DIADHO C[NH2+]CC[C@@H](C)N1CCC(c2ccccc2)(c2ccccc2)CC1 ZINC001246777611 1059081647 /nfs/dbraw/zinc/08/16/47/1059081647.db2.gz NWWXWYGWQPWWND-LJQANCHMSA-N 1 3 322.496 4.067 20 0 DIADHO CCCC[C@@H]1C[C@@H](N2CCC[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246779755 1059082558 /nfs/dbraw/zinc/08/25/58/1059082558.db2.gz UHUQBVLVVHTLPQ-AQNXPRMDSA-N 1 3 300.490 4.177 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246779755 1059082579 /nfs/dbraw/zinc/08/25/79/1059082579.db2.gz UHUQBVLVVHTLPQ-AQNXPRMDSA-N 1 3 300.490 4.177 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246779755 1059082601 /nfs/dbraw/zinc/08/26/01/1059082601.db2.gz UHUQBVLVVHTLPQ-AQNXPRMDSA-N 1 3 300.490 4.177 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246776548 1059082657 /nfs/dbraw/zinc/08/26/57/1059082657.db2.gz OBQCPAYPOHZMAV-ZCNNSNEGSA-N 1 3 314.517 4.108 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246776548 1059082679 /nfs/dbraw/zinc/08/26/79/1059082679.db2.gz OBQCPAYPOHZMAV-ZCNNSNEGSA-N 1 3 314.517 4.108 20 0 DIADHO c1csc([C@@H]2CCCN2[C@@H]2CC[NH2+]C3(CCCCC3)C2)c1 ZINC001246786606 1059084192 /nfs/dbraw/zinc/08/41/92/1059084192.db2.gz MDLYHASMVKBCFM-CVEARBPZSA-N 1 3 304.503 4.340 20 0 DIADHO C[N@H+]([C@H]1CCN[C@H](C(C)(C)C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246783594 1059084752 /nfs/dbraw/zinc/08/47/52/1059084752.db2.gz PKALHRVIAYPQLS-XOUIXPDISA-N 1 3 304.522 4.054 20 0 DIADHO C[N@@H+]([C@H]1CCN[C@H](C(C)(C)C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246783594 1059084771 /nfs/dbraw/zinc/08/47/71/1059084771.db2.gz PKALHRVIAYPQLS-XOUIXPDISA-N 1 3 304.522 4.054 20 0 DIADHO CC[C@@H]1C[C@H](N2CCC[C@@H]2c2ccc(OC)cc2)C[C@H](CC)[NH2+]1 ZINC001246790483 1059093326 /nfs/dbraw/zinc/09/33/26/1059093326.db2.gz WSUSULINNXTGAM-DOADOZAASA-N 1 3 316.489 4.141 20 0 DIADHO CCN(Cc1cccc(OC)c1)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246838711 1059117319 /nfs/dbraw/zinc/11/73/19/1059117319.db2.gz FEPATKHOFDXSJJ-CTNGQTDRSA-N 1 3 324.468 4.010 20 0 DIADHO CCc1ccc(C[N@H+](C)[C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246844488 1059123149 /nfs/dbraw/zinc/12/31/49/1059123149.db2.gz JHESIGMZLVPPNS-FGZHOGPDSA-N 1 3 322.496 4.044 20 0 DIADHO CCc1ccc(C[N@@H+](C)[C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246844488 1059123154 /nfs/dbraw/zinc/12/31/54/1059123154.db2.gz JHESIGMZLVPPNS-FGZHOGPDSA-N 1 3 322.496 4.044 20 0 DIADHO CCc1ccc(C[N@H+](C)[C@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246844497 1059123246 /nfs/dbraw/zinc/12/32/46/1059123246.db2.gz JHESIGMZLVPPNS-YADHBBJMSA-N 1 3 322.496 4.044 20 0 DIADHO CCc1ccc(C[N@@H+](C)[C@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246844497 1059123251 /nfs/dbraw/zinc/12/32/51/1059123251.db2.gz JHESIGMZLVPPNS-YADHBBJMSA-N 1 3 322.496 4.044 20 0 DIADHO CC[C@@H]1CC(N2CCC[C@@H]2c2cccc(OC)c2)C[C@@H](CC)[NH2+]1 ZINC001246849086 1059127421 /nfs/dbraw/zinc/12/74/21/1059127421.db2.gz PWPZPQYHOTWWDS-MBOZVWFJSA-N 1 3 316.489 4.141 20 0 DIADHO CC[C@@H]1C[C@H](N2CCC[C@@H]2c2cccc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246849077 1059129697 /nfs/dbraw/zinc/12/96/97/1059129697.db2.gz PWPZPQYHOTWWDS-DOADOZAASA-N 1 3 316.489 4.141 20 0 DIADHO CCCC[C@@H]1C[C@H](N2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246852153 1059133846 /nfs/dbraw/zinc/13/38/46/1059133846.db2.gz NFEJXGNWYQNTGI-QXAKKESOSA-N 1 3 320.908 4.440 20 0 DIADHO CSc1ccccc1[C@H]1CCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246889565 1059155700 /nfs/dbraw/zinc/15/57/00/1059155700.db2.gz QXWPFAPEQMYUNG-MUQADHOPSA-N 1 3 316.514 4.219 20 0 DIADHO CSc1ccccc1[C@H]1CCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246889565 1059155706 /nfs/dbraw/zinc/15/57/06/1059155706.db2.gz QXWPFAPEQMYUNG-MUQADHOPSA-N 1 3 316.514 4.219 20 0 DIADHO CSc1ccccc1[C@H]1CCCN1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246889565 1059155714 /nfs/dbraw/zinc/15/57/14/1059155714.db2.gz QXWPFAPEQMYUNG-MUQADHOPSA-N 1 3 316.514 4.219 20 0 DIADHO CSc1ccccc1[C@@H]1CCCN1[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246890360 1059156612 /nfs/dbraw/zinc/15/66/12/1059156612.db2.gz UBVPQZSZOAXQIL-NJAFHUGGSA-N 1 3 318.530 4.322 20 0 DIADHO Cc1ccc([C@@H]2CCCC[N@H+]2C2C[C@@H](C)N[C@H](C)C2)cc1C ZINC001246908565 1059167539 /nfs/dbraw/zinc/16/75/39/1059167539.db2.gz LOEDPNKXWFAEHK-HLIPFELVSA-N 1 3 300.490 4.359 20 0 DIADHO Cc1ccc([C@@H]2CCCC[N@@H+]2C2C[C@@H](C)N[C@H](C)C2)cc1C ZINC001246908565 1059167543 /nfs/dbraw/zinc/16/75/43/1059167543.db2.gz LOEDPNKXWFAEHK-HLIPFELVSA-N 1 3 300.490 4.359 20 0 DIADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1C ZINC001246907083 1059167723 /nfs/dbraw/zinc/16/77/23/1059167723.db2.gz HZFSLVHFTWTIAI-VXKWHMMOSA-N 1 3 322.496 4.099 20 0 DIADHO Cc1ccc(C[N@H+](C)[C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1C ZINC001246907083 1059167725 /nfs/dbraw/zinc/16/77/25/1059167725.db2.gz HZFSLVHFTWTIAI-VXKWHMMOSA-N 1 3 322.496 4.099 20 0 DIADHO CC[C@H]1C[C@H]([N@@H+]2CCCC[C@H]2c2ccc(C)c(C)c2)CCN1 ZINC001246909878 1059170437 /nfs/dbraw/zinc/17/04/37/1059170437.db2.gz REXACRKTVUAUOL-ZCNNSNEGSA-N 1 3 300.490 4.361 20 0 DIADHO CC[C@H]1C[C@H]([N@H+]2CCCC[C@H]2c2ccc(C)c(C)c2)CCN1 ZINC001246909878 1059170457 /nfs/dbraw/zinc/17/04/57/1059170457.db2.gz REXACRKTVUAUOL-ZCNNSNEGSA-N 1 3 300.490 4.361 20 0 DIADHO CSC(C)(C)C[C@H](C)[N@H+](Cc1ccccc1)C1CCNCC1 ZINC001246913366 1059174400 /nfs/dbraw/zinc/17/44/00/1059174400.db2.gz INMHNCRBOYQCDC-INIZCTEOSA-N 1 3 320.546 4.161 20 0 DIADHO CSC(C)(C)C[C@H](C)[N@@H+](Cc1ccccc1)C1CCNCC1 ZINC001246913366 1059174406 /nfs/dbraw/zinc/17/44/06/1059174406.db2.gz INMHNCRBOYQCDC-INIZCTEOSA-N 1 3 320.546 4.161 20 0 DIADHO FC(F)(F)c1ccc([C@@H]2CCCN2[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246920254 1059175382 /nfs/dbraw/zinc/17/53/82/1059175382.db2.gz DJLMVAKVXNITEG-HZMVEIRTSA-N 1 3 324.390 4.125 20 0 DIADHO C[C@H](CSc1ccc(Cl)cc1)[N@H+](C)[C@@H]1CCCC[C@@H]1N ZINC001246916469 1059176032 /nfs/dbraw/zinc/17/60/32/1059176032.db2.gz HYXFHMPPGPXWFP-UHOFOFEASA-N 1 3 312.910 4.022 20 0 DIADHO C[C@H](CSc1ccc(Cl)cc1)[N@@H+](C)[C@@H]1CCCC[C@@H]1N ZINC001246916469 1059176047 /nfs/dbraw/zinc/17/60/47/1059176047.db2.gz HYXFHMPPGPXWFP-UHOFOFEASA-N 1 3 312.910 4.022 20 0 DIADHO C[C@H](CSc1ccc(Cl)cc1)[N@H+](C)[C@@H]1CCCC[C@H]1N ZINC001246916458 1059176805 /nfs/dbraw/zinc/17/68/05/1059176805.db2.gz HYXFHMPPGPXWFP-DAXOMENPSA-N 1 3 312.910 4.022 20 0 DIADHO C[C@H](CSc1ccc(Cl)cc1)[N@@H+](C)[C@@H]1CCCC[C@H]1N ZINC001246916458 1059176813 /nfs/dbraw/zinc/17/68/13/1059176813.db2.gz HYXFHMPPGPXWFP-DAXOMENPSA-N 1 3 312.910 4.022 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246932814 1059181125 /nfs/dbraw/zinc/18/11/25/1059181125.db2.gz HLDWZDGNGHLCNY-FUHWJXTLSA-N 1 3 318.480 4.001 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246932814 1059181134 /nfs/dbraw/zinc/18/11/34/1059181134.db2.gz HLDWZDGNGHLCNY-FUHWJXTLSA-N 1 3 318.480 4.001 20 0 DIADHO CCCC[C@H](CC)[N@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001246943974 1059190233 /nfs/dbraw/zinc/19/02/33/1059190233.db2.gz SPOSRYSASDBNFJ-SFHVURJKSA-N 1 3 306.469 4.349 20 0 DIADHO CCCC[C@H](CC)[N@@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001246943974 1059190245 /nfs/dbraw/zinc/19/02/45/1059190245.db2.gz SPOSRYSASDBNFJ-SFHVURJKSA-N 1 3 306.469 4.349 20 0 DIADHO C[C@@H](CC1CC1)[N@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001246947325 1059193128 /nfs/dbraw/zinc/19/31/28/1059193128.db2.gz VBIBTOVWTBTGSB-AWEZNQCLSA-N 1 3 306.881 4.083 20 0 DIADHO C[C@@H](CC1CC1)[N@@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001246947325 1059193136 /nfs/dbraw/zinc/19/31/36/1059193136.db2.gz VBIBTOVWTBTGSB-AWEZNQCLSA-N 1 3 306.881 4.083 20 0 DIADHO CC[C@@H](CC(C)C)[N@H+](Cc1ccc(F)c(F)c1)C1CCNCC1 ZINC001246956812 1059204470 /nfs/dbraw/zinc/20/44/70/1059204470.db2.gz VOZRNXAHJKQUQS-INIZCTEOSA-N 1 3 324.459 4.344 20 0 DIADHO CC[C@@H](CC(C)C)[N@@H+](Cc1ccc(F)c(F)c1)C1CCNCC1 ZINC001246956812 1059204488 /nfs/dbraw/zinc/20/44/88/1059204488.db2.gz VOZRNXAHJKQUQS-INIZCTEOSA-N 1 3 324.459 4.344 20 0 DIADHO CC[C@@H](CC(C)C)N(Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001246956812 1059204505 /nfs/dbraw/zinc/20/45/05/1059204505.db2.gz VOZRNXAHJKQUQS-INIZCTEOSA-N 1 3 324.459 4.344 20 0 DIADHO CC[C@@H]1C[C@H](N(Cc2ccccc2)C2CCC2)C[C@H](CC)[NH2+]1 ZINC001246959231 1059206658 /nfs/dbraw/zinc/20/66/58/1059206658.db2.gz FRROBWJPQQFZGJ-RUYXUALKSA-N 1 3 300.490 4.350 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H](N(Cc2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246962564 1059206703 /nfs/dbraw/zinc/20/67/03/1059206703.db2.gz KEHSIPCXVFBFNP-OALUTQOASA-N 1 3 300.490 4.208 20 0 DIADHO CC[C@H]1CC[C@@H]([N@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246963875 1059207790 /nfs/dbraw/zinc/20/77/90/1059207790.db2.gz ZUQUPPFBABLZIX-OXJNMPFZSA-N 1 3 318.480 4.267 20 0 DIADHO CC[C@H]1CC[C@@H]([N@@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246963875 1059207807 /nfs/dbraw/zinc/20/78/07/1059207807.db2.gz ZUQUPPFBABLZIX-OXJNMPFZSA-N 1 3 318.480 4.267 20 0 DIADHO CCCCC[C@@H](CCC)N(Cc1ccccn1)C1CC[NH2+]CC1 ZINC001246956619 1059208610 /nfs/dbraw/zinc/20/86/10/1059208610.db2.gz ZFKARLRNSPBZGS-LJQANCHMSA-N 1 3 317.521 4.385 20 0 DIADHO CCCCC[C@@H](CCC)[N@H+](Cc1ccccn1)C1CCNCC1 ZINC001246956619 1059208625 /nfs/dbraw/zinc/20/86/25/1059208625.db2.gz ZFKARLRNSPBZGS-LJQANCHMSA-N 1 3 317.521 4.385 20 0 DIADHO CCCCC[C@@H](CCC)[N@@H+](Cc1ccccn1)C1CCNCC1 ZINC001246956619 1059208640 /nfs/dbraw/zinc/20/86/40/1059208640.db2.gz ZFKARLRNSPBZGS-LJQANCHMSA-N 1 3 317.521 4.385 20 0 DIADHO c1ccc(CN(C2CCC2)[C@H]2CC[NH2+]C3(CCCCC3)C2)cc1 ZINC001246965920 1059211041 /nfs/dbraw/zinc/21/10/41/1059211041.db2.gz QZMLUJNHSNFEPR-FQEVSTJZSA-N 1 3 312.501 4.496 20 0 DIADHO Cc1ccc(F)cc1C[N@H+](C1CCNCC1)[C@H]1CCC[C@H](C)C1 ZINC001246966277 1059213330 /nfs/dbraw/zinc/21/33/30/1059213330.db2.gz VXLDBVKHZWMACJ-YWZLYKJASA-N 1 3 318.480 4.267 20 0 DIADHO Cc1ccc(F)cc1C[N@@H+](C1CCNCC1)[C@H]1CCC[C@H](C)C1 ZINC001246966277 1059213349 /nfs/dbraw/zinc/21/33/49/1059213349.db2.gz VXLDBVKHZWMACJ-YWZLYKJASA-N 1 3 318.480 4.267 20 0 DIADHO Cc1ccc(F)cc1C[N@H+](C1CCNCC1)[C@@H]1CCC[C@H](C)C1 ZINC001246966272 1059213804 /nfs/dbraw/zinc/21/38/04/1059213804.db2.gz VXLDBVKHZWMACJ-MGPUTAFESA-N 1 3 318.480 4.267 20 0 DIADHO Cc1ccc(F)cc1C[N@@H+](C1CCNCC1)[C@@H]1CCC[C@H](C)C1 ZINC001246966272 1059213825 /nfs/dbraw/zinc/21/38/25/1059213825.db2.gz VXLDBVKHZWMACJ-MGPUTAFESA-N 1 3 318.480 4.267 20 0 DIADHO c1ccc([C@@H]2CCC[C@@H]([N@H+](C[C@H]3CCCNC3)C3CC3)C2)cc1 ZINC001246973546 1059216822 /nfs/dbraw/zinc/21/68/22/1059216822.db2.gz ODFMVARDZCVOJF-FBBABVLZSA-N 1 3 312.501 4.177 20 0 DIADHO c1ccc([C@@H]2CCC[C@@H]([N@@H+](C[C@H]3CCCNC3)C3CC3)C2)cc1 ZINC001246973546 1059216846 /nfs/dbraw/zinc/21/68/46/1059216846.db2.gz ODFMVARDZCVOJF-FBBABVLZSA-N 1 3 312.501 4.177 20 0 DIADHO c1ccc([C@@H]2CCC[C@H]([N@H+](C[C@H]3CCCNC3)C3CC3)C2)cc1 ZINC001246973545 1059217868 /nfs/dbraw/zinc/21/78/68/1059217868.db2.gz ODFMVARDZCVOJF-DSKINZAPSA-N 1 3 312.501 4.177 20 0 DIADHO c1ccc([C@@H]2CCC[C@H]([N@@H+](C[C@H]3CCCNC3)C3CC3)C2)cc1 ZINC001246973545 1059217886 /nfs/dbraw/zinc/21/78/86/1059217886.db2.gz ODFMVARDZCVOJF-DSKINZAPSA-N 1 3 312.501 4.177 20 0 DIADHO CCC[C@H](Cc1ccccc1)[N@H+](CCC)[C@@H]1CCN[C@@H](C)C1 ZINC001246975270 1059219918 /nfs/dbraw/zinc/21/99/18/1059219918.db2.gz BNSDPRXJMGOJIA-DFQSSKMNSA-N 1 3 302.506 4.250 20 0 DIADHO CCC[C@H](Cc1ccccc1)[N@@H+](CCC)[C@@H]1CCN[C@@H](C)C1 ZINC001246975270 1059219933 /nfs/dbraw/zinc/21/99/33/1059219933.db2.gz BNSDPRXJMGOJIA-DFQSSKMNSA-N 1 3 302.506 4.250 20 0 DIADHO CC(C)[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](CCc3ccccc3)C2)CCN1 ZINC001246980673 1059220725 /nfs/dbraw/zinc/22/07/25/1059220725.db2.gz RJICDHTUKNXQGQ-ACRUOGEOSA-N 1 3 314.517 4.108 20 0 DIADHO CC(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](CCc3ccccc3)C2)CCN1 ZINC001246980673 1059220744 /nfs/dbraw/zinc/22/07/44/1059220744.db2.gz RJICDHTUKNXQGQ-ACRUOGEOSA-N 1 3 314.517 4.108 20 0 DIADHO CC(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@H](CCc3ccccc3)C2)CCN1 ZINC001246980676 1059224879 /nfs/dbraw/zinc/22/48/79/1059224879.db2.gz RJICDHTUKNXQGQ-NJYVYQBISA-N 1 3 314.517 4.108 20 0 DIADHO CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H](CCc3ccccc3)C2)CCN1 ZINC001246980676 1059224899 /nfs/dbraw/zinc/22/48/99/1059224899.db2.gz RJICDHTUKNXQGQ-NJYVYQBISA-N 1 3 314.517 4.108 20 0 DIADHO CC[C@H](Cc1ccccc1)N1Cc2ccccc2C12CC[NH2+]CC2 ZINC001247005830 1059233016 /nfs/dbraw/zinc/23/30/16/1059233016.db2.gz BXRPUVDDIIWNLY-HXUWFJFHSA-N 1 3 320.480 4.102 20 0 DIADHO CCCCC[C@@H](CC)N1Cc2ccccc2C12CC[NH2+]CC2 ZINC001247010547 1059238664 /nfs/dbraw/zinc/23/86/64/1059238664.db2.gz PXVAJQDHZXCUMD-GOSISDBHSA-N 1 3 300.490 4.440 20 0 DIADHO CCc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC001559594117 1059427108 /nfs/dbraw/zinc/42/71/08/1059427108.db2.gz JKNMWNGOGKIIGM-SIKLNZKXSA-N 1 3 322.496 4.318 20 0 DIADHO CCc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC001559594117 1059427120 /nfs/dbraw/zinc/42/71/20/1059427120.db2.gz JKNMWNGOGKIIGM-SIKLNZKXSA-N 1 3 322.496 4.318 20 0 DIADHO C[C@H]([NH2+]C[C@H]1CCCCC1(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC001559737884 1059571175 /nfs/dbraw/zinc/57/11/75/1059571175.db2.gz PSVHPVQTJNQIBI-RCCFBDPRSA-N 1 3 306.538 4.445 20 0 DIADHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(C3CCCCC3)cc2)C1 ZINC001559740617 1059572465 /nfs/dbraw/zinc/57/24/65/1059572465.db2.gz BUUVPIIJYXMDSJ-GOSISDBHSA-N 1 3 300.490 4.118 20 0 DIADHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C3CCCCC3)cc2)C1 ZINC001559740617 1059572483 /nfs/dbraw/zinc/57/24/83/1059572483.db2.gz BUUVPIIJYXMDSJ-GOSISDBHSA-N 1 3 300.490 4.118 20 0 DIADHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C3CCCCC3)cc2)C1 ZINC001559740618 1059574057 /nfs/dbraw/zinc/57/40/57/1059574057.db2.gz BUUVPIIJYXMDSJ-SFHVURJKSA-N 1 3 300.490 4.118 20 0 DIADHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C3CCCCC3)cc2)C1 ZINC001559740618 1059574077 /nfs/dbraw/zinc/57/40/77/1059574077.db2.gz BUUVPIIJYXMDSJ-SFHVURJKSA-N 1 3 300.490 4.118 20 0 DIADHO CCN(CC)CCC[N@H+](C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001559911515 1059727459 /nfs/dbraw/zinc/72/74/59/1059727459.db2.gz LTZDQYMPGDUGKC-WOJBJXKFSA-N 1 3 302.506 4.377 20 0 DIADHO CCN(CC)CCC[N@@H+](C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001559911515 1059727479 /nfs/dbraw/zinc/72/74/79/1059727479.db2.gz LTZDQYMPGDUGKC-WOJBJXKFSA-N 1 3 302.506 4.377 20 0 DIADHO CCCC[N@H+](CCC(C)(C)OC)C1CC(C)(C)NC(C)(C)C1 ZINC001560036303 1059852379 /nfs/dbraw/zinc/85/23/79/1059852379.db2.gz ZAIHGFWDRLDPIK-UHFFFAOYSA-N 1 3 312.542 4.213 20 0 DIADHO CCCC[N@@H+](CCC(C)(C)OC)C1CC(C)(C)NC(C)(C)C1 ZINC001560036303 1059852401 /nfs/dbraw/zinc/85/24/01/1059852401.db2.gz ZAIHGFWDRLDPIK-UHFFFAOYSA-N 1 3 312.542 4.213 20 0 DIADHO C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC001560077682 1059893325 /nfs/dbraw/zinc/89/33/25/1059893325.db2.gz UJIJPZDKVNCVAP-AYBZRNKSSA-N 1 3 300.490 4.071 20 0 DIADHO C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC001560077682 1059893337 /nfs/dbraw/zinc/89/33/37/1059893337.db2.gz UJIJPZDKVNCVAP-AYBZRNKSSA-N 1 3 300.490 4.071 20 0 DIADHO CCN(CC)CCC[N@H+](C)C1(Cc2ccccc2)CCCC1 ZINC001560122936 1059927599 /nfs/dbraw/zinc/92/75/99/1059927599.db2.gz KSNIFWXCGHGNLZ-UHFFFAOYSA-N 1 3 302.506 4.206 20 0 DIADHO CCN(CC)CCC[N@@H+](C)C1(Cc2ccccc2)CCCC1 ZINC001560122936 1059927618 /nfs/dbraw/zinc/92/76/18/1059927618.db2.gz KSNIFWXCGHGNLZ-UHFFFAOYSA-N 1 3 302.506 4.206 20 0 DIADHO Cc1cc(C)c(/C=C\C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1C ZINC001560357924 1060146001 /nfs/dbraw/zinc/14/60/01/1060146001.db2.gz AVGKAGBSGQNLRI-ILWWCXPUSA-N 1 3 300.490 4.087 20 0 DIADHO C1CC2(C1)CCC([NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC001560362233 1060149211 /nfs/dbraw/zinc/14/92/11/1060149211.db2.gz ARMZEIJRBIFXFH-UHFFFAOYSA-N 1 3 304.522 4.486 20 0 DIADHO Cc1cc(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c(C)o1 ZINC001560690515 1060538312 /nfs/dbraw/zinc/53/83/12/1060538312.db2.gz WRRLZHGUWUEMDC-MRXNPFEDSA-N 1 3 318.505 4.373 20 0 DIADHO Cc1cc(CN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c(C)o1 ZINC001560690515 1060538330 /nfs/dbraw/zinc/53/83/30/1060538330.db2.gz WRRLZHGUWUEMDC-MRXNPFEDSA-N 1 3 318.505 4.373 20 0 DIADHO CC(C)C[C@H](C)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001560703745 1060559236 /nfs/dbraw/zinc/55/92/36/1060559236.db2.gz LNRJGZODAFXROH-MJUUVYJYSA-N 1 3 314.517 4.311 20 0 DIADHO CCC[C@H](CCc1ccccc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC001560805525 1060667007 /nfs/dbraw/zinc/66/70/07/1060667007.db2.gz IHMOYMUUEVJSJJ-HXUWFJFHSA-N 1 3 316.533 4.500 20 0 DIADHO CC[N@@H+](C/C=C/c1cc(C)c(C)cc1C)CCCN1CCCC1 ZINC001560811656 1060671719 /nfs/dbraw/zinc/67/17/19/1060671719.db2.gz SKGYLOVHYMXFFY-CSKARUKUSA-N 1 3 314.517 4.433 20 0 DIADHO CC[N@H+](C/C=C/c1cc(C)c(C)cc1C)CCCN1CCCC1 ZINC001560811656 1060671732 /nfs/dbraw/zinc/67/17/32/1060671732.db2.gz SKGYLOVHYMXFFY-CSKARUKUSA-N 1 3 314.517 4.433 20 0 DIADHO CN1CCCC[C@@H](C[NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC001560932791 1060794691 /nfs/dbraw/zinc/79/46/91/1060794691.db2.gz TYZOSKZVTCSQCH-KKXNLOMOSA-N 1 3 300.490 4.034 20 0 DIADHO C[C@H](CN1CCCC[C@H]1[C@@H](C)C[NH+](C)C)c1cccc(Cl)c1 ZINC001560948289 1060813440 /nfs/dbraw/zinc/81/34/40/1060813440.db2.gz SSHSTDNUBPMAMZ-GJYPPUQNSA-N 1 3 322.924 4.496 20 0 DIADHO C[C@H](C[N@H+]1CCCC[C@H]1[C@@H](C)CN(C)C)c1cccc(Cl)c1 ZINC001560948289 1060813456 /nfs/dbraw/zinc/81/34/56/1060813456.db2.gz SSHSTDNUBPMAMZ-GJYPPUQNSA-N 1 3 322.924 4.496 20 0 DIADHO C[C@H](C[N@@H+]1CCCC[C@H]1[C@@H](C)CN(C)C)c1cccc(Cl)c1 ZINC001560948289 1060813470 /nfs/dbraw/zinc/81/34/70/1060813470.db2.gz SSHSTDNUBPMAMZ-GJYPPUQNSA-N 1 3 322.924 4.496 20 0 DIADHO CCc1ccc2ccccc2c1CNC1CC[NH+](CC2CC2)CC1 ZINC001561002648 1060863718 /nfs/dbraw/zinc/86/37/18/1060863718.db2.gz WDQQUHLZJBRIRG-UHFFFAOYSA-N 1 3 322.496 4.366 20 0 DIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCCC4(CC4)C3)CC2)C1 ZINC001561024084 1060879856 /nfs/dbraw/zinc/87/98/56/1060879856.db2.gz IWPDWSDBMHBPEF-NEWSRXKRSA-N 1 3 304.522 4.342 20 0 DIADHO CCC(C)(C)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC001473220526 1060997935 /nfs/dbraw/zinc/99/79/35/1060997935.db2.gz WTAYHURTRGRBMN-ICSRJNTNSA-N 1 3 314.517 4.290 20 0 DIADHO CCC(C)(C)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC001473220526 1060997956 /nfs/dbraw/zinc/99/79/56/1060997956.db2.gz WTAYHURTRGRBMN-ICSRJNTNSA-N 1 3 314.517 4.290 20 0 DIADHO CCc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001473410300 1061146130 /nfs/dbraw/zinc/14/61/30/1061146130.db2.gz WTWNZYLGRWKQOA-PGRDOPGGSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001473410300 1061146143 /nfs/dbraw/zinc/14/61/43/1061146143.db2.gz WTWNZYLGRWKQOA-PGRDOPGGSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001473410302 1061146622 /nfs/dbraw/zinc/14/66/22/1061146622.db2.gz WTWNZYLGRWKQOA-XMSQKQJNSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001473410302 1061146630 /nfs/dbraw/zinc/14/66/30/1061146630.db2.gz WTWNZYLGRWKQOA-XMSQKQJNSA-N 1 3 322.496 4.249 20 0 DIADHO CC(C)c1ccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c(C(C)C)c1 ZINC001473507777 1061200455 /nfs/dbraw/zinc/20/04/55/1061200455.db2.gz KHBDSOXQYYIUSE-OAQYLSRUSA-N 1 3 314.517 4.461 20 0 DIADHO CC(C)c1ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C(C)C)c1 ZINC001473507777 1061200473 /nfs/dbraw/zinc/20/04/73/1061200473.db2.gz KHBDSOXQYYIUSE-OAQYLSRUSA-N 1 3 314.517 4.461 20 0 DIADHO Cc1ccc(CNCCCC[N@H+]2CCC[C@@H](C)C2)c(Cl)c1 ZINC001473937117 1061482983 /nfs/dbraw/zinc/48/29/83/1061482983.db2.gz LVANMAROHGWAFT-MRXNPFEDSA-N 1 3 308.897 4.250 20 0 DIADHO Cc1ccc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)c(Cl)c1 ZINC001473937117 1061482987 /nfs/dbraw/zinc/48/29/87/1061482987.db2.gz LVANMAROHGWAFT-MRXNPFEDSA-N 1 3 308.897 4.250 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)C1 ZINC001473957222 1061500071 /nfs/dbraw/zinc/50/00/71/1061500071.db2.gz MZHMHMOZAJPPTJ-HLAWJBBLSA-N 1 3 314.517 4.424 20 0 DIADHO CC(C)c1ccc(O[C@@H](C)CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001474142892 1061688743 /nfs/dbraw/zinc/68/87/43/1061688743.db2.gz IDMATZAUDGHYQW-WMZOPIPTSA-N 1 3 318.505 4.040 20 0 DIADHO CC(C)c1ccc(O[C@@H](C)CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001474142892 1061688760 /nfs/dbraw/zinc/68/87/60/1061688760.db2.gz IDMATZAUDGHYQW-WMZOPIPTSA-N 1 3 318.505 4.040 20 0 DIADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCC[C@@H]1C1CC1 ZINC001474179888 1061727422 /nfs/dbraw/zinc/72/74/22/1061727422.db2.gz FRWIBQVILYYJLT-YLJYHZDGSA-N 1 3 304.522 4.199 20 0 DIADHO CC[NH+](CC)CC1CCN(Cc2ccc(C)c(Cl)c2)CC1 ZINC001474356776 1061976448 /nfs/dbraw/zinc/97/64/48/1061976448.db2.gz UNFKCQLEEALGOD-UHFFFAOYSA-N 1 3 308.897 4.202 20 0 DIADHO CCCN1CCC([N@H+](C)C/C=C\c2c(C)cc(C)cc2C)CC1 ZINC001474364158 1061989566 /nfs/dbraw/zinc/98/95/66/1061989566.db2.gz YYRNJNNJOOVRHD-FPLPWBNLSA-N 1 3 314.517 4.431 20 0 DIADHO CCCN1CCC([N@@H+](C)C/C=C\c2c(C)cc(C)cc2C)CC1 ZINC001474364158 1061989591 /nfs/dbraw/zinc/98/95/91/1061989591.db2.gz YYRNJNNJOOVRHD-FPLPWBNLSA-N 1 3 314.517 4.431 20 0 DIADHO Cc1cccc(CC[C@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)c1 ZINC001474436984 1062113779 /nfs/dbraw/zinc/11/37/79/1062113779.db2.gz QVHDHKZRXWOJKG-RBUKOAKNSA-N 1 3 302.506 4.170 20 0 DIADHO C[C@@H](CC[NH2+]C1CCC(C)(N2CCOCC2)CC1)CC(C)(C)C ZINC001474446880 1062127472 /nfs/dbraw/zinc/12/74/72/1062127472.db2.gz SFVXDDIUYRXZFG-ZJRDLVKKSA-N 1 3 324.553 4.072 20 0 DIADHO CCC[C@H](CCc1ccccc1)[N@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001254497426 1062138436 /nfs/dbraw/zinc/13/84/36/1062138436.db2.gz CGOBCRBXSAZEAC-QHAWAJNXSA-N 1 3 314.517 4.062 20 0 DIADHO CCC[C@H](CCc1ccccc1)[N@@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001254497426 1062138444 /nfs/dbraw/zinc/13/84/44/1062138444.db2.gz CGOBCRBXSAZEAC-QHAWAJNXSA-N 1 3 314.517 4.062 20 0 DIADHO C[N@@H+]1CCC[C@H](NC(C)(C)c2ccccc2C(F)(F)F)CC1 ZINC001254510534 1062150393 /nfs/dbraw/zinc/15/03/93/1062150393.db2.gz XOEANYCZQLEWPT-ZDUSSCGKSA-N 1 3 314.395 4.014 20 0 DIADHO C[N@H+]1CCC[C@H](NC(C)(C)c2ccccc2C(F)(F)F)CC1 ZINC001254510534 1062150414 /nfs/dbraw/zinc/15/04/14/1062150414.db2.gz XOEANYCZQLEWPT-ZDUSSCGKSA-N 1 3 314.395 4.014 20 0 DIADHO C[N@@H+]1CCC[C@H]1CCN[C@H](Cc1ccccc1)c1ccccc1 ZINC001459751354 1062361282 /nfs/dbraw/zinc/36/12/82/1062361282.db2.gz ZXAONUGSAUCGRY-LEWJYISDSA-N 1 3 308.469 4.044 20 0 DIADHO C[N@H+]1CCC[C@H]1CCN[C@H](Cc1ccccc1)c1ccccc1 ZINC001459751354 1062361301 /nfs/dbraw/zinc/36/13/01/1062361301.db2.gz ZXAONUGSAUCGRY-LEWJYISDSA-N 1 3 308.469 4.044 20 0 DIADHO CN1CCC[C@H]1CC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC001459751354 1062361320 /nfs/dbraw/zinc/36/13/20/1062361320.db2.gz ZXAONUGSAUCGRY-LEWJYISDSA-N 1 3 308.469 4.044 20 0 DIADHO CC(C)c1cccc(CN2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1 ZINC001474646494 1062372645 /nfs/dbraw/zinc/37/26/45/1062372645.db2.gz FCSDZBFJXCISHA-FXAWDEMLSA-N 1 3 302.506 4.362 20 0 DIADHO C[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1Cl)N(C)C ZINC001474648684 1062375269 /nfs/dbraw/zinc/37/52/69/1062375269.db2.gz LAAFXXAALMVYFV-QGPMSJSTSA-N 1 3 308.897 4.296 20 0 DIADHO Cc1ccsc1CN[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255382187 1062421339 /nfs/dbraw/zinc/42/13/39/1062421339.db2.gz SSKDJEJITGXNEO-GOSISDBHSA-N 1 3 314.498 4.201 20 0 DIADHO Cc1ccsc1CN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255382187 1062421348 /nfs/dbraw/zinc/42/13/48/1062421348.db2.gz SSKDJEJITGXNEO-GOSISDBHSA-N 1 3 314.498 4.201 20 0 DIADHO CCc1ccc(CN[C@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255383323 1062421590 /nfs/dbraw/zinc/42/15/90/1062421590.db2.gz HIXYAQCIAIXSHL-QFIPXVFZSA-N 1 3 322.496 4.393 20 0 DIADHO CCc1ccc(CN[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255383323 1062421600 /nfs/dbraw/zinc/42/16/00/1062421600.db2.gz HIXYAQCIAIXSHL-QFIPXVFZSA-N 1 3 322.496 4.393 20 0 DIADHO Cc1ccnc([C@H](C)[NH2+][C@H]2CCCN(Cc3ccccc3)CC2)c1 ZINC001255384288 1062421862 /nfs/dbraw/zinc/42/18/62/1062421862.db2.gz XJPJIHFDNCNYGI-ICSRJNTNSA-N 1 3 323.484 4.095 20 0 DIADHO C(=C/c1ccccc1)\CN[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255384037 1062423115 /nfs/dbraw/zinc/42/31/15/1062423115.db2.gz RROGRJOILPWQBW-ZCQBWMKESA-N 1 3 320.480 4.344 20 0 DIADHO C(=C/c1ccccc1)\CN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255384037 1062423128 /nfs/dbraw/zinc/42/31/28/1062423128.db2.gz RROGRJOILPWQBW-ZCQBWMKESA-N 1 3 320.480 4.344 20 0 DIADHO C[C@H](N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cccs1 ZINC001255376935 1062423185 /nfs/dbraw/zinc/42/31/85/1062423185.db2.gz CZHZXSHNAVKSOX-FUHWJXTLSA-N 1 3 314.498 4.453 20 0 DIADHO C[C@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cccs1 ZINC001255376935 1062423188 /nfs/dbraw/zinc/42/31/88/1062423188.db2.gz CZHZXSHNAVKSOX-FUHWJXTLSA-N 1 3 314.498 4.453 20 0 DIADHO Cc1ccnc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccccc3)CC2)c1 ZINC001255384290 1062423977 /nfs/dbraw/zinc/42/39/77/1062423977.db2.gz XJPJIHFDNCNYGI-UYAOXDASSA-N 1 3 323.484 4.095 20 0 DIADHO Cc1ccccc1CN(C)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255401432 1062433380 /nfs/dbraw/zinc/43/33/80/1062433380.db2.gz AEOVJLKFTJEOPP-JOCHJYFZSA-N 1 3 322.496 4.482 20 0 DIADHO Cc1ccccc1CN(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255401432 1062433393 /nfs/dbraw/zinc/43/33/93/1062433393.db2.gz AEOVJLKFTJEOPP-JOCHJYFZSA-N 1 3 322.496 4.482 20 0 DIADHO Cc1ccc(CN(C)[C@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255403850 1062440999 /nfs/dbraw/zinc/44/09/99/1062440999.db2.gz QIUSCYHIBQDAMB-QFIPXVFZSA-N 1 3 322.496 4.482 20 0 DIADHO Cc1ccc(CN(C)[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255403850 1062441008 /nfs/dbraw/zinc/44/10/08/1062441008.db2.gz QIUSCYHIBQDAMB-QFIPXVFZSA-N 1 3 322.496 4.482 20 0 DIADHO FC(F)[C@@H]1CCCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255406121 1062441118 /nfs/dbraw/zinc/44/11/18/1062441118.db2.gz PCSXIUBRWDOTAV-QZTJIDSGSA-N 1 3 322.443 4.018 20 0 DIADHO FC(F)[C@@H]1CCCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255406121 1062441130 /nfs/dbraw/zinc/44/11/30/1062441130.db2.gz PCSXIUBRWDOTAV-QZTJIDSGSA-N 1 3 322.443 4.018 20 0 DIADHO CCC[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC001255668022 1062507626 /nfs/dbraw/zinc/50/76/26/1062507626.db2.gz CRCPVDJAYMXLFZ-XVLXNVKGSA-N 1 3 304.453 4.272 20 0 DIADHO CCC[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001255668022 1062507645 /nfs/dbraw/zinc/50/76/45/1062507645.db2.gz CRCPVDJAYMXLFZ-XVLXNVKGSA-N 1 3 304.453 4.272 20 0 DIADHO CCN(CC)CCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC001459981321 1062544799 /nfs/dbraw/zinc/54/47/99/1062544799.db2.gz YDVZEDKAMIIOQB-HBMCJLEFSA-N 1 3 314.517 4.377 20 0 DIADHO CCN(CC)CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC001459981321 1062544819 /nfs/dbraw/zinc/54/48/19/1062544819.db2.gz YDVZEDKAMIIOQB-HBMCJLEFSA-N 1 3 314.517 4.377 20 0 DIADHO C[C@H](Cc1ccccc1F)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001255855346 1062631161 /nfs/dbraw/zinc/63/11/61/1062631161.db2.gz WOHBLGUZWDRVAI-NZSAHSFTSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@H](Cc1ccccc1F)[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001255855346 1062631168 /nfs/dbraw/zinc/63/11/68/1062631168.db2.gz WOHBLGUZWDRVAI-NZSAHSFTSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@H](Cc1ccccc1F)N1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001255855346 1062631191 /nfs/dbraw/zinc/63/11/91/1062631191.db2.gz WOHBLGUZWDRVAI-NZSAHSFTSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@H](Cc1ccccc1F)N1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001255855346 1062631202 /nfs/dbraw/zinc/63/12/02/1062631202.db2.gz WOHBLGUZWDRVAI-NZSAHSFTSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@@H](Cc1ccccc1F)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001255855348 1062633063 /nfs/dbraw/zinc/63/30/63/1062633063.db2.gz WOHBLGUZWDRVAI-YTQUADARSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@@H](Cc1ccccc1F)[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001255855348 1062633074 /nfs/dbraw/zinc/63/30/74/1062633074.db2.gz WOHBLGUZWDRVAI-YTQUADARSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@@H](Cc1ccccc1F)N1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001255855348 1062633085 /nfs/dbraw/zinc/63/30/85/1062633085.db2.gz WOHBLGUZWDRVAI-YTQUADARSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@@H](Cc1ccccc1F)N1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001255855348 1062633097 /nfs/dbraw/zinc/63/30/97/1062633097.db2.gz WOHBLGUZWDRVAI-YTQUADARSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001255878199 1062651241 /nfs/dbraw/zinc/65/12/41/1062651241.db2.gz MTAKZYMMEIQGEI-VDGAXYAQSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001255878199 1062651271 /nfs/dbraw/zinc/65/12/71/1062651271.db2.gz MTAKZYMMEIQGEI-VDGAXYAQSA-N 1 3 318.480 4.096 20 0 DIADHO CCN(CC)CC[C@H](C)[NH2+]CCSc1ccc(Cl)cc1 ZINC001255942815 1062665931 /nfs/dbraw/zinc/66/59/31/1062665931.db2.gz IJLXRGFUJQJGAM-AWEZNQCLSA-N 1 3 314.926 4.142 20 0 DIADHO CC[NH+](CC)CC[C@H](C)NC1(Cc2ccccc2F)CCC1 ZINC001255953377 1062668299 /nfs/dbraw/zinc/66/82/99/1062668299.db2.gz QMOHVPCGFBBUIB-INIZCTEOSA-N 1 3 306.469 4.001 20 0 DIADHO CCN(CC)CC[C@H](C)[NH2+]C1(Cc2ccccc2F)CCC1 ZINC001255953377 1062668314 /nfs/dbraw/zinc/66/83/14/1062668314.db2.gz QMOHVPCGFBBUIB-INIZCTEOSA-N 1 3 306.469 4.001 20 0 DIADHO c1cc2c(o1)CCCN(Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC001460191915 1062691032 /nfs/dbraw/zinc/69/10/32/1062691032.db2.gz HTDVIHBKUFZQFJ-UHFFFAOYSA-N 1 3 324.468 4.214 20 0 DIADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001256108676 1062711551 /nfs/dbraw/zinc/71/15/51/1062711551.db2.gz FEQJBWHUDXIKOI-LWYYNNOASA-N 1 3 300.490 4.175 20 0 DIADHO CC(C)(C)N1CCC([NH2+]CCCc2ccc(Cl)cc2)CC1 ZINC001256558053 1062883995 /nfs/dbraw/zinc/88/39/95/1062883995.db2.gz HLGWLUIJWJFRSP-UHFFFAOYSA-N 1 3 308.897 4.125 20 0 DIADHO CC(C)(C)N1CCC([N@@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001256572840 1062893884 /nfs/dbraw/zinc/89/38/84/1062893884.db2.gz ZARIGGQABFVADB-SFHVURJKSA-N 1 3 304.453 4.226 20 0 DIADHO CC(C)(C)N1CCC([N@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001256572840 1062893906 /nfs/dbraw/zinc/89/39/06/1062893906.db2.gz ZARIGGQABFVADB-SFHVURJKSA-N 1 3 304.453 4.226 20 0 DIADHO CC(C)(C)[NH+]1CCC(N2CCC(Cc3ccccc3)CC2)CC1 ZINC001256569199 1062896688 /nfs/dbraw/zinc/89/66/88/1062896688.db2.gz UQVDIDOGVNPGIQ-UHFFFAOYSA-N 1 3 314.517 4.204 20 0 DIADHO Fc1ccc2c(c1)[C@@H](NC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001256599511 1062910472 /nfs/dbraw/zinc/91/04/72/1062910472.db2.gz VOOPTWPPJHEDDC-NRFANRHFSA-N 1 3 324.443 4.067 20 0 DIADHO C=Cc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001256599215 1062910738 /nfs/dbraw/zinc/91/07/38/1062910738.db2.gz MCTZLQGTFHGGDO-UHFFFAOYSA-N 1 3 306.453 4.084 20 0 DIADHO [NH2+]=C(NC1CCN(Cc2ccccc2)CC1)C1CCCCCC1 ZINC001256599090 1062911237 /nfs/dbraw/zinc/91/12/37/1062911237.db2.gz ICFJNOBMZQWWCP-UHFFFAOYSA-N 1 3 313.489 4.188 20 0 DIADHO Cc1cccc(C2(NC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001256604098 1062913461 /nfs/dbraw/zinc/91/34/61/1062913461.db2.gz JIWWUOFPLHDEGB-UHFFFAOYSA-N 1 3 320.480 4.238 20 0 DIADHO CC1CCN(CC[C@H]2CCC[N@@H+]2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001460624331 1062942568 /nfs/dbraw/zinc/94/25/68/1062942568.db2.gz BLFDFFUWYQMJDA-IAGOWNOFSA-N 1 3 314.464 4.008 20 0 DIADHO CC1CCN(CC[C@H]2CCC[N@H+]2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001460624331 1062942596 /nfs/dbraw/zinc/94/25/96/1062942596.db2.gz BLFDFFUWYQMJDA-IAGOWNOFSA-N 1 3 314.464 4.008 20 0 DIADHO Cc1cc(C)cc(CN2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001460624265 1062944629 /nfs/dbraw/zinc/94/46/29/1062944629.db2.gz AGLFHZWIPXHFSD-OAQYLSRUSA-N 1 3 314.517 4.390 20 0 DIADHO CC(C)CC[NH+](CCC(C)C)C1CCC(N2CCOCC2)CC1 ZINC001256696581 1062948483 /nfs/dbraw/zinc/94/84/83/1062948483.db2.gz IPFSTQSBCMRDNM-UHFFFAOYSA-N 1 3 324.553 4.024 20 0 DIADHO CCCCc1ccc(C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)s1 ZINC001278988874 1063097899 /nfs/dbraw/zinc/09/78/99/1063097899.db2.gz ICCBDORTGGLKRK-GOSISDBHSA-N 1 3 306.519 4.008 20 0 DIADHO CCCCc1ccc(C[N@H+]2CCC[C@]3(CCN(C)C3)C2)s1 ZINC001278988874 1063097922 /nfs/dbraw/zinc/09/79/22/1063097922.db2.gz ICCBDORTGGLKRK-GOSISDBHSA-N 1 3 306.519 4.008 20 0 DIADHO CC(C)[NH+]1CCC(N[C@H](CC2CCC2)c2ccccc2)CC1 ZINC001257213409 1063144962 /nfs/dbraw/zinc/14/49/62/1063144962.db2.gz MZSVLCJROLQHSK-HXUWFJFHSA-N 1 3 300.490 4.380 20 0 DIADHO CSc1ccccc1[C@@H]1CCCN1C1CC[NH+](C(C)C)CC1 ZINC001257223741 1063146454 /nfs/dbraw/zinc/14/64/54/1063146454.db2.gz AIIONHNYKVBWLD-SFHVURJKSA-N 1 3 318.530 4.418 20 0 DIADHO CC(C)[NH+]1CCC(N2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001257221649 1063149079 /nfs/dbraw/zinc/14/90/79/1063149079.db2.gz BJTAIHUDPDRCLU-MRXNPFEDSA-N 1 3 306.881 4.002 20 0 DIADHO CCN(CC)CCC[NH2+]C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC001461002123 1063177437 /nfs/dbraw/zinc/17/74/37/1063177437.db2.gz QUQMCWABTRUFKI-SFHVURJKSA-N 1 3 318.549 4.484 20 0 DIADHO c1cc(C2CC2)c(C2CC2)cc1C[NH2+]CCCN1CCCCC1 ZINC001461004738 1063181392 /nfs/dbraw/zinc/18/13/92/1063181392.db2.gz JMRZACHWWKEXJH-UHFFFAOYSA-N 1 3 312.501 4.407 20 0 DIADHO CCCCCC[C@H](C)N1CCC([NH3+])(c2ccc(OC)cc2)CC1 ZINC001257358497 1063227496 /nfs/dbraw/zinc/22/74/96/1063227496.db2.gz FPZFBUOPZBZHRG-KRWDZBQOSA-N 1 3 318.505 4.304 20 0 DIADHO CCN1CC[C@H](C[NH2+]Cc2ccccc2-c2ccc(C)cc2C)C1 ZINC001461068857 1063231024 /nfs/dbraw/zinc/23/10/24/1063231024.db2.gz NBTUSIGWECHGCI-LJQANCHMSA-N 1 3 322.496 4.402 20 0 DIADHO CC[N@@H+]1CC[C@H](CNCc2ccccc2-c2ccc(C)cc2C)C1 ZINC001461068857 1063231044 /nfs/dbraw/zinc/23/10/44/1063231044.db2.gz NBTUSIGWECHGCI-LJQANCHMSA-N 1 3 322.496 4.402 20 0 DIADHO CC[N@H+]1CC[C@H](CNCc2ccccc2-c2ccc(C)cc2C)C1 ZINC001461068857 1063231062 /nfs/dbraw/zinc/23/10/62/1063231062.db2.gz NBTUSIGWECHGCI-LJQANCHMSA-N 1 3 322.496 4.402 20 0 DIADHO CS[C@@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC001461132670 1063281728 /nfs/dbraw/zinc/28/17/28/1063281728.db2.gz RORSZHDXODCNJJ-RBUKOAKNSA-N 1 3 324.578 4.295 20 0 DIADHO CCC[C@H](C)CC[C@H](C)N1CCC([NH+]2CCC(F)CC2)CC1 ZINC001257482828 1063303455 /nfs/dbraw/zinc/30/34/55/1063303455.db2.gz TUTDIAHSWDSQME-IRXDYDNUSA-N 1 3 312.517 4.490 20 0 DIADHO CCC[C@@H](C)CC[C@@H](C)N1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001257485977 1063309577 /nfs/dbraw/zinc/30/95/77/1063309577.db2.gz RQBOIUMABPYXQR-QZTJIDSGSA-N 1 3 324.553 4.167 20 0 DIADHO C[NH+](C)CC[C@@H](NCc1ccc(C2CCC2)cc1)C(C)(C)C ZINC001461192896 1063325349 /nfs/dbraw/zinc/32/53/49/1063325349.db2.gz MLEYSNAKPGMDGQ-LJQANCHMSA-N 1 3 302.506 4.410 20 0 DIADHO CC(C)C[C@@H]1CCC[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC001461234714 1063354372 /nfs/dbraw/zinc/35/43/72/1063354372.db2.gz UFBAQFZIXJFKGK-ZRNYENFQSA-N 1 3 324.553 4.070 20 0 DIADHO CC(C)CN1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC001258003864 1063458131 /nfs/dbraw/zinc/45/81/31/1063458131.db2.gz XCZOQFXKPOWELC-GOSISDBHSA-N 1 3 306.881 4.037 20 0 DIADHO CC(C)CN1CCC([NH2+]Cc2cccc3sccc32)CC1 ZINC001258005436 1063462163 /nfs/dbraw/zinc/46/21/63/1063462163.db2.gz RHSXBYATSWIMJP-UHFFFAOYSA-N 1 3 302.487 4.111 20 0 DIADHO CC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)c1cccc(C)c1C ZINC001258009323 1063462192 /nfs/dbraw/zinc/46/21/92/1063462192.db2.gz UQZJDFKPQHDONZ-HXUWFJFHSA-N 1 3 302.506 4.465 20 0 DIADHO CC[C@@H](NC1CC[NH+](CC(C)C)CC1)c1cccc(C)c1C ZINC001258009323 1063462201 /nfs/dbraw/zinc/46/22/01/1063462201.db2.gz UQZJDFKPQHDONZ-HXUWFJFHSA-N 1 3 302.506 4.465 20 0 DIADHO CC(C)CN1CCC([NH2+]C(C)(C)c2cccc(Cl)c2)CC1 ZINC001258007488 1063462955 /nfs/dbraw/zinc/46/29/55/1063462955.db2.gz YGAVDIROJLBPHQ-UHFFFAOYSA-N 1 3 308.897 4.285 20 0 DIADHO CC(C)CN1CCC([NH2+]CC(C)(C)Cc2ccccc2F)CC1 ZINC001258007299 1063463976 /nfs/dbraw/zinc/46/39/76/1063463976.db2.gz ACVHMXWFBXAQAX-UHFFFAOYSA-N 1 3 320.496 4.104 20 0 DIADHO CC(C)C[NH+]1CCC(N(C)Cc2cccc3ccccc32)CC1 ZINC001258014486 1063468279 /nfs/dbraw/zinc/46/82/79/1063468279.db2.gz LWJQULVHZNCJIA-UHFFFAOYSA-N 1 3 310.485 4.392 20 0 DIADHO CC(C)=CCC[C@H](C)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001258085741 1063507361 /nfs/dbraw/zinc/50/73/61/1063507361.db2.gz OMFDJHRHERMPTD-SFHVURJKSA-N 1 3 315.505 4.018 20 0 DIADHO CCN(Cc1ccccc1)C1CC[NH+]([C@H](C)CCSC)CC1 ZINC001258219158 1063566865 /nfs/dbraw/zinc/56/68/65/1063566865.db2.gz DATBITIMFGVORE-QGZVFWFLSA-N 1 3 320.546 4.115 20 0 DIADHO Clc1cccc(CNCCCCC[NH+]2CCCC2)c1Cl ZINC001461544265 1063571427 /nfs/dbraw/zinc/57/14/27/1063571427.db2.gz PSIAJSBHWDBUTP-UHFFFAOYSA-N 1 3 315.288 4.349 20 0 DIADHO CC1(C)CCC[C@H]([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)C1 ZINC001258281826 1063583974 /nfs/dbraw/zinc/58/39/74/1063583974.db2.gz BXGRGDJTPMYPBA-MJGOQNOKSA-N 1 3 304.522 4.366 20 0 DIADHO CCC[N@H+](CCCN)[C@H](C)CC(C)(C)SCc1ccco1 ZINC001258293972 1063593544 /nfs/dbraw/zinc/59/35/44/1063593544.db2.gz FBULJRVNCNPDRD-OAHLLOKOSA-N 1 3 312.523 4.131 20 0 DIADHO CCC[N@@H+](CCCN)[C@H](C)CC(C)(C)SCc1ccco1 ZINC001258293972 1063593558 /nfs/dbraw/zinc/59/35/58/1063593558.db2.gz FBULJRVNCNPDRD-OAHLLOKOSA-N 1 3 312.523 4.131 20 0 DIADHO C[C@@H](CC(C)(C)SCc1ccco1)[NH2+]CC[C@H]1CCCN1C ZINC001258303696 1063601248 /nfs/dbraw/zinc/60/12/48/1063601248.db2.gz WKABKDHSMNCXQO-JKSUJKDBSA-N 1 3 324.534 4.144 20 0 DIADHO CSC(C)(C)C[C@@H](C)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001258315021 1063606412 /nfs/dbraw/zinc/60/64/12/1063606412.db2.gz JKYSZCIOQVOLOH-WBVHZDCISA-N 1 3 308.535 4.189 20 0 DIADHO CC1(C)CC[C@H]([NH+]2CCC(N)(Cc3cccc(Cl)c3)CC2)C1 ZINC001258598014 1063700482 /nfs/dbraw/zinc/70/04/82/1063700482.db2.gz OCOUYESRMGHVHC-KRWDZBQOSA-N 1 3 320.908 4.255 20 0 DIADHO CC1(C)CC[C@@H]([NH+]2CCC(N)(Cc3ccc(Cl)cc3)CC2)C1 ZINC001258598481 1063701773 /nfs/dbraw/zinc/70/17/73/1063701773.db2.gz TVWUZSDVCKONNS-QGZVFWFLSA-N 1 3 320.908 4.255 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001258652554 1063726317 /nfs/dbraw/zinc/72/63/17/1063726317.db2.gz YEGYKAAWQIOJPI-FQEVSTJZSA-N 1 3 314.517 4.394 20 0 DIADHO CCC[C@H](Cc1ccccc1)N1CCC([NH+](CC)CC)CC1 ZINC001258658500 1063730805 /nfs/dbraw/zinc/73/08/05/1063730805.db2.gz GTIDPNWPTHWYOE-HXUWFJFHSA-N 1 3 302.506 4.204 20 0 DIADHO C[C@@H]1C[C@@H]([NH+]2CCC(N)(Cc3ccccc3)CC2)CC(C)(C)C1 ZINC001258692206 1063755383 /nfs/dbraw/zinc/75/53/83/1063755383.db2.gz NUMJPHBJMDAHDA-IEBWSBKVSA-N 1 3 314.517 4.237 20 0 DIADHO C[C@H]1C[C@@H]([NH+]2CCC(N)(Cc3ccccc3)CC2)CC(C)(C)C1 ZINC001258692208 1063756124 /nfs/dbraw/zinc/75/61/24/1063756124.db2.gz NUMJPHBJMDAHDA-PKOBYXMFSA-N 1 3 314.517 4.237 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC001258709726 1063765190 /nfs/dbraw/zinc/76/51/90/1063765190.db2.gz JSZPEDXRQRDERU-NRFANRHFSA-N 1 3 314.517 4.348 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)[NH+]1CCC(N2CCCC2)CC1 ZINC001258709726 1063765193 /nfs/dbraw/zinc/76/51/93/1063765193.db2.gz JSZPEDXRQRDERU-NRFANRHFSA-N 1 3 314.517 4.348 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[NH+]1C[C@H]2CN(CCC)C[C@@H]2C1 ZINC001258713159 1063768085 /nfs/dbraw/zinc/76/80/85/1063768085.db2.gz DBBLFMYSZQESHW-NJDAHSKKSA-N 1 3 314.517 4.062 20 0 DIADHO CCC[NH+]1CCC(N[C@@H](CC2CCC2)c2ccccc2)CC1 ZINC001258770171 1063813226 /nfs/dbraw/zinc/81/32/26/1063813226.db2.gz FTRNPBYPIQIKIG-FQEVSTJZSA-N 1 3 300.490 4.382 20 0 DIADHO CCC[NH+]1CCC(N2CCC[C@H]2c2ccc(OCC)cc2)CC1 ZINC001258775442 1063817364 /nfs/dbraw/zinc/81/73/64/1063817364.db2.gz PFJVPVNAEASHQZ-FQEVSTJZSA-N 1 3 316.489 4.097 20 0 DIADHO CCCN1CCC([N@H+](C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001258778195 1063818320 /nfs/dbraw/zinc/81/83/20/1063818320.db2.gz ZFZTUJKNXNARBS-UHFFFAOYSA-N 1 3 315.288 4.300 20 0 DIADHO CCCN1CCC([N@@H+](C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001258778195 1063818335 /nfs/dbraw/zinc/81/83/35/1063818335.db2.gz ZFZTUJKNXNARBS-UHFFFAOYSA-N 1 3 315.288 4.300 20 0 DIADHO C[C@H]1CCC[C@H]([NH+]2CCC(N)(Cc3cccc(Cl)c3)CC2)C1 ZINC001258811601 1063840246 /nfs/dbraw/zinc/84/02/46/1063840246.db2.gz BZWGRMYVALZHGE-YJBOKZPZSA-N 1 3 320.908 4.255 20 0 DIADHO C[C@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001258815394 1063845045 /nfs/dbraw/zinc/84/50/45/1063845045.db2.gz WCBRUOIASLWDPD-LPHOPBHVSA-N 1 3 318.480 4.206 20 0 DIADHO C[C@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001258815395 1063846319 /nfs/dbraw/zinc/84/63/19/1063846319.db2.gz WCBRUOIASLWDPD-QFBILLFUSA-N 1 3 318.480 4.206 20 0 DIADHO C[C@@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001258815393 1063846499 /nfs/dbraw/zinc/84/64/99/1063846499.db2.gz WCBRUOIASLWDPD-APWZRJJASA-N 1 3 318.480 4.206 20 0 DIADHO Cc1cc(C)cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379632653 1063985025 /nfs/dbraw/zinc/98/50/25/1063985025.db2.gz NUODOBAHRSWFBC-SIKLNZKXSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1cc(C)cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379632653 1063985029 /nfs/dbraw/zinc/98/50/29/1063985029.db2.gz NUODOBAHRSWFBC-SIKLNZKXSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1C ZINC000379654963 1063987884 /nfs/dbraw/zinc/98/78/84/1063987884.db2.gz KKZFJMZLDJOABJ-DENIHFKCSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1C ZINC000379654963 1063987899 /nfs/dbraw/zinc/98/78/99/1063987899.db2.gz KKZFJMZLDJOABJ-DENIHFKCSA-N 1 3 322.496 4.446 20 0 DIADHO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000390811815 1064170296 /nfs/dbraw/zinc/17/02/96/1064170296.db2.gz WHNMPOJXTWOHBH-BVJIBDCISA-N 1 3 312.501 4.065 20 0 DIADHO Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390876397 1064173888 /nfs/dbraw/zinc/17/38/88/1064173888.db2.gz RESZAZQMLSQUOL-NRFANRHFSA-N 1 3 322.496 4.385 20 0 DIADHO Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390876397 1064173898 /nfs/dbraw/zinc/17/38/98/1064173898.db2.gz RESZAZQMLSQUOL-NRFANRHFSA-N 1 3 322.496 4.385 20 0 DIADHO CC(C)Cc1ccccc1C[N@H+](C)CC[C@H]1CCCCN1C ZINC001307498767 1065441671 /nfs/dbraw/zinc/44/16/71/1065441671.db2.gz IPBWGDZFPIUABV-HXUWFJFHSA-N 1 3 302.506 4.191 20 0 DIADHO CC(C)Cc1ccccc1C[N@@H+](C)CC[C@H]1CCCCN1C ZINC001307498767 1065441700 /nfs/dbraw/zinc/44/17/00/1065441700.db2.gz IPBWGDZFPIUABV-HXUWFJFHSA-N 1 3 302.506 4.191 20 0 DIADHO CC(C)Cc1ccc([C@H]([NH2+]CC[C@@H]2CCCN2C)C2CC2)cc1 ZINC001307614337 1065518457 /nfs/dbraw/zinc/51/84/57/1065518457.db2.gz GEYZCXBTFBNKQH-SFTDATJTSA-N 1 3 314.517 4.410 20 0 DIADHO CC(C)Cc1ccc([C@H](NCC[C@@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC001307614337 1065518466 /nfs/dbraw/zinc/51/84/66/1065518466.db2.gz GEYZCXBTFBNKQH-SFTDATJTSA-N 1 3 314.517 4.410 20 0 DIADHO CC(C)Cc1ccc([C@H](NCC[C@@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC001307614337 1065518476 /nfs/dbraw/zinc/51/84/76/1065518476.db2.gz GEYZCXBTFBNKQH-SFTDATJTSA-N 1 3 314.517 4.410 20 0 DIADHO CN1CCC[C@H]1CC[NH2+][C@@H](CC1CCCC1)c1ccccc1 ZINC001307634472 1065531381 /nfs/dbraw/zinc/53/13/81/1065531381.db2.gz GRZLIUCWSODFLN-PMACEKPBSA-N 1 3 300.490 4.382 20 0 DIADHO C[N@@H+]1CCC[C@H]1CCN[C@@H](CC1CCCC1)c1ccccc1 ZINC001307634472 1065531395 /nfs/dbraw/zinc/53/13/95/1065531395.db2.gz GRZLIUCWSODFLN-PMACEKPBSA-N 1 3 300.490 4.382 20 0 DIADHO C[N@H+]1CCC[C@H]1CCN[C@@H](CC1CCCC1)c1ccccc1 ZINC001307634472 1065531406 /nfs/dbraw/zinc/53/14/06/1065531406.db2.gz GRZLIUCWSODFLN-PMACEKPBSA-N 1 3 300.490 4.382 20 0 DIADHO Cc1cccc([C@H](C)[NH+]2CCC(NCc3ccccc3)CC2)c1 ZINC001307785433 1065619981 /nfs/dbraw/zinc/61/99/81/1065619981.db2.gz KPOQLBJHZAWEGH-SFHVURJKSA-N 1 3 308.469 4.310 20 0 DIADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2C[C@@H]2CCCC[C@@H]2C)CC1 ZINC001308001740 1065718571 /nfs/dbraw/zinc/71/85/71/1065718571.db2.gz HCWHZUOJADDBPY-UFYCRDLUSA-N 1 3 306.538 4.399 20 0 DIADHO CC1CCN(CC[C@@H]2CCC[N@H+]2C[C@@H]2CCCC[C@@H]2C)CC1 ZINC001308001740 1065718585 /nfs/dbraw/zinc/71/85/85/1065718585.db2.gz HCWHZUOJADDBPY-UFYCRDLUSA-N 1 3 306.538 4.399 20 0 DIADHO C[C@H](c1ccccc1)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001308058704 1065745306 /nfs/dbraw/zinc/74/53/06/1065745306.db2.gz DIPPOIDCJLXASR-QIJUGHKUSA-N 1 3 320.480 4.202 20 0 DIADHO C[C@H](c1ccccc1)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001308058704 1065745313 /nfs/dbraw/zinc/74/53/13/1065745313.db2.gz DIPPOIDCJLXASR-QIJUGHKUSA-N 1 3 320.480 4.202 20 0 DIADHO CCN1CC[C@@H](C[NH2+]C[C@@H](C)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001308208944 1065816609 /nfs/dbraw/zinc/81/66/09/1065816609.db2.gz JLZJUXTXHUHLMA-HKUYNNGSSA-N 1 3 316.533 4.094 20 0 DIADHO CC1([NH+]2CCCC2)CCC(NCc2cc(Cl)ccc2F)CC1 ZINC001308524057 1066045839 /nfs/dbraw/zinc/04/58/39/1066045839.db2.gz HTPBNOHPEGWVHG-UHFFFAOYSA-N 1 3 324.871 4.366 20 0 DIADHO C[NH+](C)CC[C@@H](NC1CC(C)(C)CC(C)(C)C1)c1cccnc1 ZINC001308530653 1066050435 /nfs/dbraw/zinc/05/04/35/1066050435.db2.gz XSNOLZAWMPJVHG-GOSISDBHSA-N 1 3 317.521 4.269 20 0 DIADHO CC(C)CCN1CCC([NH2+][C@@H](CC(F)(F)F)C(C)C)CC1 ZINC001308697978 1066186575 /nfs/dbraw/zinc/18/65/75/1066186575.db2.gz XHLQBBGBDKODAB-HNNXBMFYSA-N 1 3 308.432 4.064 20 0 DIADHO CC(C)CC[NH+]1CCC(N[C@@H](CC(F)(F)F)C(C)C)CC1 ZINC001308697978 1066186578 /nfs/dbraw/zinc/18/65/78/1066186578.db2.gz XHLQBBGBDKODAB-HNNXBMFYSA-N 1 3 308.432 4.064 20 0 DIADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(-c2cccs2)cc1 ZINC001308747184 1066220911 /nfs/dbraw/zinc/22/09/11/1066220911.db2.gz WDOGUABVXHTWCL-MAUKXSAKSA-N 1 3 314.498 4.187 20 0 DIADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(-c2cccs2)cc1 ZINC001308747184 1066220920 /nfs/dbraw/zinc/22/09/20/1066220920.db2.gz WDOGUABVXHTWCL-MAUKXSAKSA-N 1 3 314.498 4.187 20 0 DIADHO CC/C=C\CNC[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001308782450 1066254070 /nfs/dbraw/zinc/25/40/70/1066254070.db2.gz NYQMHSHHLIXBOZ-RACPOZDESA-N 1 3 314.517 4.481 20 0 DIADHO CC/C=C\CNC[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001308782450 1066254085 /nfs/dbraw/zinc/25/40/85/1066254085.db2.gz NYQMHSHHLIXBOZ-RACPOZDESA-N 1 3 314.517 4.481 20 0 DIADHO CC/C=C\C[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001308782450 1066254103 /nfs/dbraw/zinc/25/41/03/1066254103.db2.gz NYQMHSHHLIXBOZ-RACPOZDESA-N 1 3 314.517 4.481 20 0 DIADHO CCC1C[NH+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001308804817 1066281838 /nfs/dbraw/zinc/28/18/38/1066281838.db2.gz WKPIBZKXOOLZAJ-OAQYLSRUSA-N 1 3 314.517 4.267 20 0 DIADHO CCC1CN(C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001308804817 1066281847 /nfs/dbraw/zinc/28/18/47/1066281847.db2.gz WKPIBZKXOOLZAJ-OAQYLSRUSA-N 1 3 314.517 4.267 20 0 DIADHO CCC1CN(C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001308804817 1066281857 /nfs/dbraw/zinc/28/18/57/1066281857.db2.gz WKPIBZKXOOLZAJ-OAQYLSRUSA-N 1 3 314.517 4.267 20 0 DIADHO CN1CCCC[C@H](C[NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC001308863997 1066345504 /nfs/dbraw/zinc/34/55/04/1066345504.db2.gz OPQUYGDXAZVQLL-MNEFBYGVSA-N 1 3 320.908 4.298 20 0 DIADHO C[C@H](CC1CCCCC1)C[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC001308920105 1066398190 /nfs/dbraw/zinc/39/81/90/1066398190.db2.gz ZJXDFJGOBGTCMB-QZTJIDSGSA-N 1 3 315.505 4.199 20 0 DIADHO C[C@H](CC1CCCCC1)C[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC001308920105 1066398205 /nfs/dbraw/zinc/39/82/05/1066398205.db2.gz ZJXDFJGOBGTCMB-QZTJIDSGSA-N 1 3 315.505 4.199 20 0 DIADHO CC1=C(C)C[C@H]([C@H](C)N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC001308948302 1066412783 /nfs/dbraw/zinc/41/27/83/1066412783.db2.gz MOJGIMIUIRWULA-NLWGTHIKSA-N 1 3 315.505 4.189 20 0 DIADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCC[C@@H]3C3CCCCC3)[C@@H]2C1 ZINC001308985102 1066433587 /nfs/dbraw/zinc/43/35/87/1066433587.db2.gz SDBJXUGGPFZARB-UTBUEMAESA-N 1 3 304.522 4.055 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2csc(C)c2)c1 ZINC000297968046 132042997 /nfs/dbraw/zinc/04/29/97/132042997.db2.gz ZRLKZXQFTYWWHB-HNNXBMFYSA-N 1 3 302.487 4.359 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2csc(C)c2)c1 ZINC000297968046 132042999 /nfs/dbraw/zinc/04/29/99/132042999.db2.gz ZRLKZXQFTYWWHB-HNNXBMFYSA-N 1 3 302.487 4.359 20 0 DIADHO CC[C@@H](NCC1CC[NH+](CC)CC1)c1cc(Cl)ccc1OC ZINC000564816821 331729397 /nfs/dbraw/zinc/72/93/97/331729397.db2.gz MHDKABLNOGXTCW-QGZVFWFLSA-N 1 3 324.896 4.121 20 0 DIADHO c1csc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000564655992 332132543 /nfs/dbraw/zinc/13/25/43/332132543.db2.gz NZLXXVSMWNYJBV-QGZVFWFLSA-N 1 3 312.482 4.035 20 0 DIADHO c1csc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000564655992 332132544 /nfs/dbraw/zinc/13/25/44/332132544.db2.gz NZLXXVSMWNYJBV-QGZVFWFLSA-N 1 3 312.482 4.035 20 0 DIADHO CC[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000394272458 332207516 /nfs/dbraw/zinc/20/75/16/332207516.db2.gz AILNCKUMBOROOZ-PKOBYXMFSA-N 1 3 314.498 4.311 20 0 DIADHO CC[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000394272458 332207517 /nfs/dbraw/zinc/20/75/17/332207517.db2.gz AILNCKUMBOROOZ-PKOBYXMFSA-N 1 3 314.498 4.311 20 0 DIADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c2ccccc21 ZINC000559740340 332278384 /nfs/dbraw/zinc/27/83/84/332278384.db2.gz OJEBHKTWBDNSEI-GJZGRUSLSA-N 1 3 312.432 4.114 20 0 DIADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c2ccccc21 ZINC000559740340 332278385 /nfs/dbraw/zinc/27/83/85/332278385.db2.gz OJEBHKTWBDNSEI-GJZGRUSLSA-N 1 3 312.432 4.114 20 0 DIADHO C[C@@H](NCCCCC[NH+]1CCCC1)c1ccc(Cl)s1 ZINC000559890959 332289792 /nfs/dbraw/zinc/28/97/92/332289792.db2.gz LKIBLXGOGSBGDL-CYBMUJFWSA-N 1 3 300.899 4.318 20 0 DIADHO CCCCOc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000560251969 332323691 /nfs/dbraw/zinc/32/36/91/332323691.db2.gz NELGXSKCYRNDED-IRXDYDNUSA-N 1 3 316.489 4.000 20 0 DIADHO CCCCOc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000560251969 332323692 /nfs/dbraw/zinc/32/36/92/332323692.db2.gz NELGXSKCYRNDED-IRXDYDNUSA-N 1 3 316.489 4.000 20 0 DIADHO N[C@@H]1CCC[C@@H]([NH2+]CCC(c2ccccc2)c2ccccc2)C1 ZINC000580212680 333012916 /nfs/dbraw/zinc/01/29/16/333012916.db2.gz UIBIBPMECUQOJI-WOJBJXKFSA-N 1 3 308.469 4.068 20 0 DIADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C1CCC1 ZINC000379037410 333098410 /nfs/dbraw/zinc/09/84/10/333098410.db2.gz DDDUOQBLCXTERI-MJGOQNOKSA-N 1 3 300.490 4.067 20 0 DIADHO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000537936709 333111597 /nfs/dbraw/zinc/11/15/97/333111597.db2.gz DYXOCCVBNVZQRE-UXHICEINSA-N 1 3 315.505 4.102 20 0 DIADHO CC(C)[N@H+](C)CC1CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000526057261 333113820 /nfs/dbraw/zinc/11/38/20/333113820.db2.gz ANCCGOCRUVPUDN-SNAWJCMRSA-N 1 3 320.908 4.405 20 0 DIADHO CC(C)[N@@H+](C)CC1CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000526057261 333113822 /nfs/dbraw/zinc/11/38/22/333113822.db2.gz ANCCGOCRUVPUDN-SNAWJCMRSA-N 1 3 320.908 4.405 20 0 DIADHO CC(C)[C@@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(F)cn1 ZINC000497857056 333302298 /nfs/dbraw/zinc/30/22/98/333302298.db2.gz KNOHMYLATXNRMO-LJQANCHMSA-N 1 3 321.484 4.020 20 0 DIADHO CCCC[NH+]1CCC(NC2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000583467814 333360031 /nfs/dbraw/zinc/36/00/31/333360031.db2.gz VDWJJBJYJJIUTE-UHFFFAOYSA-N 1 3 322.443 4.065 20 0 DIADHO CCC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000319882289 333415369 /nfs/dbraw/zinc/41/53/69/333415369.db2.gz XAVXFOXKTQABFW-HXUWFJFHSA-N 1 3 309.457 4.181 20 0 DIADHO CC[C@H]1CCC[C@H]1[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000531694933 333546549 /nfs/dbraw/zinc/54/65/49/333546549.db2.gz NZLCMJHVWXXKFT-FUHWJXTLSA-N 1 3 306.519 4.128 20 0 DIADHO CC[C@@H]1CCC[C@H]1[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000531694934 333546560 /nfs/dbraw/zinc/54/65/60/333546560.db2.gz NZLCMJHVWXXKFT-SJLPKXTDSA-N 1 3 306.519 4.128 20 0 DIADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C[C@@H](c2ccccc2)C1 ZINC000392003963 335149985 /nfs/dbraw/zinc/14/99/85/335149985.db2.gz RGMMSTLUDPSMOY-RQUKQETFSA-N 1 3 312.501 4.175 20 0 DIADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H](c2ccccc2)C1 ZINC000392003963 335149986 /nfs/dbraw/zinc/14/99/86/335149986.db2.gz RGMMSTLUDPSMOY-RQUKQETFSA-N 1 3 312.501 4.175 20 0 DIADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H](c2ccccc2)C1 ZINC000392003963 335149987 /nfs/dbraw/zinc/14/99/87/335149987.db2.gz RGMMSTLUDPSMOY-RQUKQETFSA-N 1 3 312.501 4.175 20 0 DIADHO CCc1oc2ccccc2c1CNCc1ccc([C@@H](C)[NH3+])cc1 ZINC000414806132 334103741 /nfs/dbraw/zinc/10/37/41/334103741.db2.gz HGAYILAYVPZQGZ-CQSZACIVSA-N 1 3 308.425 4.305 20 0 DIADHO Cc1cc(C(F)(F)F)ccc1CNCc1ccc([C@@H](C)[NH3+])cc1 ZINC000414815248 334106425 /nfs/dbraw/zinc/10/64/25/334106425.db2.gz OWZWGHXZHXSRKZ-CYBMUJFWSA-N 1 3 322.374 4.323 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(Cl)c(Cl)c2)cc1 ZINC000414814429 334106505 /nfs/dbraw/zinc/10/65/05/334106505.db2.gz VNKAVADBIUHUHO-LLVKDONJSA-N 1 3 309.240 4.303 20 0 DIADHO CCSc1cccc(CNCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414818185 334107249 /nfs/dbraw/zinc/10/72/49/334107249.db2.gz UZCMYZGENXAOJE-CQSZACIVSA-N 1 3 300.471 4.108 20 0 DIADHO C[C@@H](NCCCCC[NH+]1CCCC1)c1ccc2ccccc2n1 ZINC000293593697 334199430 /nfs/dbraw/zinc/19/94/30/334199430.db2.gz CYCMGQNKQGKIHY-QGZVFWFLSA-N 1 3 311.473 4.152 20 0 DIADHO CC1([NH2+]Cc2ccc(Sc3ccccc3)cc2)CCNCC1 ZINC000414946424 334206105 /nfs/dbraw/zinc/20/61/05/334206105.db2.gz UADACGDSUZBXOL-UHFFFAOYSA-N 1 3 312.482 4.070 20 0 DIADHO Cc1ccc2cc(CN[C@@H](CCC[NH3+])c3ccccc3)ccc2n1 ZINC000415048135 334261541 /nfs/dbraw/zinc/26/15/41/334261541.db2.gz FRCQDVHRHRROPV-FQEVSTJZSA-N 1 3 319.452 4.113 20 0 DIADHO [NH3+]CCC[C@@H](NCc1ccccc1C(F)(F)F)c1ccccc1 ZINC000415069003 334262692 /nfs/dbraw/zinc/26/26/92/334262692.db2.gz RZDXXXZIFLUUIV-QGZVFWFLSA-N 1 3 322.374 4.275 20 0 DIADHO CC(C)(C)N1CCC([NH2+]CCCCCOc2ccccc2)CC1 ZINC000187690867 334268170 /nfs/dbraw/zinc/26/81/70/334268170.db2.gz YHVFSSILQQEWRO-UHFFFAOYSA-N 1 3 318.505 4.088 20 0 DIADHO CC[C@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc(F)c1 ZINC000187706295 334269384 /nfs/dbraw/zinc/26/93/84/334269384.db2.gz QJZWYXPMZSZIPL-IBGZPJMESA-N 1 3 300.421 4.128 20 0 DIADHO CCC[C@H](N[C@@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000415098542 334281357 /nfs/dbraw/zinc/28/13/57/334281357.db2.gz FNTPDHFVJGPMMO-CVEARBPZSA-N 1 3 314.395 4.278 20 0 DIADHO C[C@H](N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000415117066 334283835 /nfs/dbraw/zinc/28/38/35/334283835.db2.gz FWALRRLGILVVJB-GDIGMMSISA-N 1 3 314.860 4.484 20 0 DIADHO CN1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000534757352 334336713 /nfs/dbraw/zinc/33/67/13/334336713.db2.gz XWQLSJYKFZPFMY-FXAWDEMLSA-N 1 3 311.473 4.179 20 0 DIADHO CN1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000534757352 334336714 /nfs/dbraw/zinc/33/67/14/334336714.db2.gz XWQLSJYKFZPFMY-FXAWDEMLSA-N 1 3 311.473 4.179 20 0 DIADHO C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000531988794 334363998 /nfs/dbraw/zinc/36/39/98/334363998.db2.gz SBKARNGXJPKJEH-HGHGUNKESA-N 1 3 308.469 4.317 20 0 DIADHO C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000531988794 334363999 /nfs/dbraw/zinc/36/39/99/334363999.db2.gz SBKARNGXJPKJEH-HGHGUNKESA-N 1 3 308.469 4.317 20 0 DIADHO CCc1cc(N2CCC([NH+]3CCCCC3)CC2)c2ccccc2n1 ZINC000443448387 338451925 /nfs/dbraw/zinc/45/19/25/338451925.db2.gz AYIRXMHOLATNOK-UHFFFAOYSA-N 1 3 323.484 4.252 20 0 DIADHO COc1ccc([C@@H](CCC(C)C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000344306446 335239242 /nfs/dbraw/zinc/23/92/42/335239242.db2.gz WPDWWUFTGWXONG-HXUWFJFHSA-N 1 3 316.489 4.024 20 0 DIADHO CCCCN1CCC([NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000532491473 336250495 /nfs/dbraw/zinc/25/04/95/336250495.db2.gz CIGWYHSLEIYUGA-SFHVURJKSA-N 1 3 306.881 4.181 20 0 DIADHO Cc1cccc([C@@H](C)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000532485488 336251679 /nfs/dbraw/zinc/25/16/79/336251679.db2.gz RCGMXFZSPVFEMM-CTNGQTDRSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1cccc([C@@H](C)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000532485488 336251680 /nfs/dbraw/zinc/25/16/80/336251680.db2.gz RCGMXFZSPVFEMM-CTNGQTDRSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c1 ZINC000532485488 336251681 /nfs/dbraw/zinc/25/16/81/336251681.db2.gz RCGMXFZSPVFEMM-CTNGQTDRSA-N 1 3 322.496 4.210 20 0 DIADHO C[C@H](C[N@@H+]1CCC[C@H](N2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000580375264 336261605 /nfs/dbraw/zinc/26/16/05/336261605.db2.gz XFCGLIHBZKUUDH-XSYGEPLQSA-N 1 3 300.490 4.127 20 0 DIADHO C[C@H](C[N@H+]1CCC[C@H](N2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000580375264 336261606 /nfs/dbraw/zinc/26/16/06/336261606.db2.gz XFCGLIHBZKUUDH-XSYGEPLQSA-N 1 3 300.490 4.127 20 0 DIADHO Cc1cc(NC2CC[NH+](C3CCCC3)CC2)c2ccccc2n1 ZINC000301530777 336312880 /nfs/dbraw/zinc/31/28/80/336312880.db2.gz LAEVZUQVTNRZBA-UHFFFAOYSA-N 1 3 309.457 4.362 20 0 DIADHO c1ccc2c(c1)CCC[C@@H]2NCc1cccc(C[NH+]2CCCC2)c1 ZINC000353030900 336383037 /nfs/dbraw/zinc/38/30/37/336383037.db2.gz BKTWSKVBPAGCAE-QFIPXVFZSA-N 1 3 320.480 4.450 20 0 DIADHO CC(C)[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccnc1 ZINC000359272315 336665273 /nfs/dbraw/zinc/66/52/73/336665273.db2.gz ALAJYCGHQXYUNC-NRFANRHFSA-N 1 3 323.484 4.164 20 0 DIADHO CC[NH+]1CCC(CCN[C@H]2CCSc3ccc(F)cc32)CC1 ZINC000121637875 336969722 /nfs/dbraw/zinc/96/97/22/336969722.db2.gz QMBHEVMSXUXYNT-KRWDZBQOSA-N 1 3 322.493 4.074 20 0 DIADHO C[C@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccncc1 ZINC000173896906 337138832 /nfs/dbraw/zinc/13/88/32/337138832.db2.gz JQZJVBWUUHBUQK-SFHVURJKSA-N 1 3 323.484 4.164 20 0 DIADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000183190107 337190398 /nfs/dbraw/zinc/19/03/98/337190398.db2.gz RWEBBSUFGBSQKJ-HQRMLTQVSA-N 1 3 300.490 4.380 20 0 DIADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000183190107 337190399 /nfs/dbraw/zinc/19/03/99/337190399.db2.gz RWEBBSUFGBSQKJ-HQRMLTQVSA-N 1 3 300.490 4.380 20 0 DIADHO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccccc1 ZINC000183190107 337190400 /nfs/dbraw/zinc/19/04/00/337190400.db2.gz RWEBBSUFGBSQKJ-HQRMLTQVSA-N 1 3 300.490 4.380 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1c1ccccc1 ZINC000583316390 337314415 /nfs/dbraw/zinc/31/44/15/337314415.db2.gz XDHKVKFYEQAFPA-XERREHJYSA-N 1 3 323.484 4.083 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000583316389 337314434 /nfs/dbraw/zinc/31/44/34/337314434.db2.gz XDHKVKFYEQAFPA-UQASEVPWSA-N 1 3 323.484 4.083 20 0 DIADHO C[C@H]1CC[C@@H](NCc2cccc(C[NH+](C)C)c2)c2ccccc21 ZINC000123683447 337400450 /nfs/dbraw/zinc/40/04/50/337400450.db2.gz NWOZDNODOCNCAX-HRAATJIYSA-N 1 3 308.469 4.476 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](CCC(C)C)C(C)(C)C ZINC000422740168 337684753 /nfs/dbraw/zinc/68/47/53/337684753.db2.gz AXGZKOZVRXGQBT-YJBOKZPZSA-N 1 3 305.510 4.350 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000422801447 337687289 /nfs/dbraw/zinc/68/72/89/337687289.db2.gz BYCFHOILGQWLGG-MNNVXMFVSA-N 1 3 323.484 4.226 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000422825723 337688329 /nfs/dbraw/zinc/68/83/29/337688329.db2.gz AWDUZAYQCVYHGQ-BEFAXECRSA-N 1 3 311.473 4.287 20 0 DIADHO CC[C@@H](N[C@@H](C)CCCC[NH3+])c1ccccc1Br ZINC000422893932 337690343 /nfs/dbraw/zinc/69/03/43/337690343.db2.gz RNXRLPTZPYXOIJ-SWLSCSKDSA-N 1 3 313.283 4.007 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000422905863 337690727 /nfs/dbraw/zinc/69/07/27/337690727.db2.gz ZPMCJMSZQSCQPZ-DQLDELGASA-N 1 3 323.484 4.226 20 0 DIADHO C[C@@H](CCCC[NH3+])N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000422931913 337692111 /nfs/dbraw/zinc/69/21/11/337692111.db2.gz DADARYMILDQYHJ-KXBFYZLASA-N 1 3 300.421 4.022 20 0 DIADHO C[C@H](CCCC[NH3+])NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000422931778 337692150 /nfs/dbraw/zinc/69/21/50/337692150.db2.gz CWVPHEMPKBDTSA-CQSZACIVSA-N 1 3 318.411 4.161 20 0 DIADHO C[C@@H](CCCC[NH3+])NC1(c2c(Cl)cccc2Cl)CC1 ZINC000422960485 337695055 /nfs/dbraw/zinc/69/50/55/337695055.db2.gz WNQOPQQHMQJPLG-NSHDSACASA-N 1 3 301.261 4.090 20 0 DIADHO CC1(c2ccccc2)CC(N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423113510 337700049 /nfs/dbraw/zinc/70/00/49/337700049.db2.gz YIXSMDHMJSTKBI-NGWDBGEYSA-N 1 3 312.501 4.007 20 0 DIADHO Cc1cc2c(cc1C)[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)CCCO2 ZINC000423291917 337710111 /nfs/dbraw/zinc/71/01/11/337710111.db2.gz KNOPVAKDRXRJST-OXQOHEQNSA-N 1 3 324.468 4.327 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000423292314 337710258 /nfs/dbraw/zinc/71/02/58/337710258.db2.gz MMXYESPUINBUQA-CVEARBPZSA-N 1 3 308.469 4.436 20 0 DIADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(F)c(Cl)c1 ZINC000423293015 337710396 /nfs/dbraw/zinc/71/03/96/337710396.db2.gz PIULJCAXZDQLGD-NWDGAFQWSA-N 1 3 306.812 4.350 20 0 DIADHO CC(C)COc1ccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423360822 337714280 /nfs/dbraw/zinc/71/42/80/337714280.db2.gz RAURLWSGSVKKDI-MRXNPFEDSA-N 1 3 324.468 4.175 20 0 DIADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cc2c(s1)CCCC2 ZINC000423399889 337715518 /nfs/dbraw/zinc/71/55/18/337715518.db2.gz VFSVTULXKPDUTN-ZDUSSCGKSA-N 1 3 312.482 4.081 20 0 DIADHO CCCCOc1ccc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423402893 337715686 /nfs/dbraw/zinc/71/56/86/337715686.db2.gz WTSGBSLNHLPYQC-INIZCTEOSA-N 1 3 324.468 4.320 20 0 DIADHO [NH3+][C@@H]1CCC[C@@H](N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000423384356 337717884 /nfs/dbraw/zinc/71/78/84/337717884.db2.gz LBPZXAHMTYZIJC-OAGGEKHMSA-N 1 3 312.379 4.016 20 0 DIADHO C[C@H](NC[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(Cl)c1Cl ZINC000423459260 337720459 /nfs/dbraw/zinc/72/04/59/337720459.db2.gz LFZPKZJWCKIFDQ-SDDRHHMPSA-N 1 3 301.261 4.162 20 0 DIADHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1cc(Cl)ccc1Cl ZINC000423483920 337721989 /nfs/dbraw/zinc/72/19/89/337721989.db2.gz QIQFNNJUPRNIHZ-WCQYABFASA-N 1 3 301.261 4.176 20 0 DIADHO [NH3+]CCC[C@H](N[C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000423506176 337723736 /nfs/dbraw/zinc/72/37/36/337723736.db2.gz OUXZQVOISQXBEY-ZWKOTPCHSA-N 1 3 312.482 4.293 20 0 DIADHO CC[C@H](NCC1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000044516308 337810120 /nfs/dbraw/zinc/81/01/20/337810120.db2.gz SXEPRHSYNZLEEZ-INIZCTEOSA-N 1 3 315.288 4.376 20 0 DIADHO c1ccc2c(c1)CC[C@H]2NCc1cccc(C[NH+]2CCCC2)c1 ZINC000123014641 337940452 /nfs/dbraw/zinc/94/04/52/337940452.db2.gz FUUFVEGUSCDMCK-OAQYLSRUSA-N 1 3 306.453 4.060 20 0 DIADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429539675 338083203 /nfs/dbraw/zinc/08/32/03/338083203.db2.gz RNZNNKPAHUNRFW-BBRMVZONSA-N 1 3 314.395 4.183 20 0 DIADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429539675 338083204 /nfs/dbraw/zinc/08/32/04/338083204.db2.gz RNZNNKPAHUNRFW-BBRMVZONSA-N 1 3 314.395 4.183 20 0 DIADHO C[NH+](C)[C@@H]1CCCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000429540515 338083462 /nfs/dbraw/zinc/08/34/62/338083462.db2.gz SVZNPPONBJQGKY-MRXNPFEDSA-N 1 3 306.453 4.173 20 0 DIADHO CN(C)[C@@H]1CCC[N@@H+](C2c3ccccc3-c3ccccc32)CC1 ZINC000429540515 338083463 /nfs/dbraw/zinc/08/34/63/338083463.db2.gz SVZNPPONBJQGKY-MRXNPFEDSA-N 1 3 306.453 4.173 20 0 DIADHO CN(C)[C@@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)CC1 ZINC000429540515 338083464 /nfs/dbraw/zinc/08/34/64/338083464.db2.gz SVZNPPONBJQGKY-MRXNPFEDSA-N 1 3 306.453 4.173 20 0 DIADHO CN(C)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000429555189 338083910 /nfs/dbraw/zinc/08/39/10/338083910.db2.gz VQTMCXWNBDEQGQ-OAQYLSRUSA-N 1 3 308.469 4.270 20 0 DIADHO CN(C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000429555189 338083911 /nfs/dbraw/zinc/08/39/11/338083911.db2.gz VQTMCXWNBDEQGQ-OAQYLSRUSA-N 1 3 308.469 4.270 20 0 DIADHO CCC[NH+]1CCC(CNCc2csc(Cl)c2Cl)CC1 ZINC000432246517 338150393 /nfs/dbraw/zinc/15/03/93/338150393.db2.gz NKRKMMAXTBKEKC-UHFFFAOYSA-N 1 3 321.317 4.267 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000436228249 338262479 /nfs/dbraw/zinc/26/24/79/338262479.db2.gz AYKZXFWQKZUQCE-NJYVYQBISA-N 1 3 314.517 4.108 20 0 DIADHO C[C@@H]1CCC[N@H+](CCCCNCc2ccc(Cl)cc2F)C1 ZINC000438089362 338330872 /nfs/dbraw/zinc/33/08/72/338330872.db2.gz UYJAZWNJDHSVLY-CQSZACIVSA-N 1 3 312.860 4.081 20 0 DIADHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccc(Cl)cc2F)C1 ZINC000438089362 338330873 /nfs/dbraw/zinc/33/08/73/338330873.db2.gz UYJAZWNJDHSVLY-CQSZACIVSA-N 1 3 312.860 4.081 20 0 DIADHO CCC1([NH2+]C2CCN(C(C)(C)CC(C)(C)C)CC2)CCOCC1 ZINC000449221231 338603561 /nfs/dbraw/zinc/60/35/61/338603561.db2.gz JWIDUYJTIVATGS-UHFFFAOYSA-N 1 3 324.553 4.214 20 0 DIADHO CO[C@@](C)(CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000449333282 338614014 /nfs/dbraw/zinc/61/40/14/338614014.db2.gz GIADSAWHXHWBJV-FQEVSTJZSA-N 1 3 324.553 4.070 20 0 DIADHO CC[N@H+](C)Cc1cccc(CNCc2ccc(C3CC3)cc2)c1 ZINC000459402957 339027308 /nfs/dbraw/zinc/02/73/08/339027308.db2.gz GGJHWNMYZJJKRM-UHFFFAOYSA-N 1 3 308.469 4.306 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(C3CC3)cc2)c1 ZINC000459402957 339027309 /nfs/dbraw/zinc/02/73/09/339027309.db2.gz GGJHWNMYZJJKRM-UHFFFAOYSA-N 1 3 308.469 4.306 20 0 DIADHO c1cc(N2CCC([NH2+]CCCCC3CCCC3)CC2)ccn1 ZINC000459423991 339028344 /nfs/dbraw/zinc/02/83/44/339028344.db2.gz PVJGQPLUGCKQCP-UHFFFAOYSA-N 1 3 301.478 4.001 20 0 DIADHO CCC1(C[NH2+]C2CCN(c3ccncc3)CC2)CCCCC1 ZINC000459474458 339031364 /nfs/dbraw/zinc/03/13/64/339031364.db2.gz FATZKTWRFXCTOA-UHFFFAOYSA-N 1 3 301.478 4.001 20 0 DIADHO Cc1cccc(C)c1[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459478223 339031681 /nfs/dbraw/zinc/03/16/81/339031681.db2.gz KKWJOKHSMBUEHH-KRWDZBQOSA-N 1 3 309.457 4.018 20 0 DIADHO CC[NH+]1CCC(CCNCc2ccc(Cl)cc2Cl)CC1 ZINC000462754893 339086997 /nfs/dbraw/zinc/08/69/97/339086997.db2.gz MZUYJVRHFJZJBS-UHFFFAOYSA-N 1 3 315.288 4.205 20 0 DIADHO C[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000463141516 339107094 /nfs/dbraw/zinc/10/70/94/339107094.db2.gz CCJVSHSZFWCPOF-OPYAIIAOSA-N 1 3 308.469 4.390 20 0 DIADHO C[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000463141516 339107095 /nfs/dbraw/zinc/10/70/95/339107095.db2.gz CCJVSHSZFWCPOF-OPYAIIAOSA-N 1 3 308.469 4.390 20 0 DIADHO CC1CCN(CCC[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000466367405 339200769 /nfs/dbraw/zinc/20/07/69/339200769.db2.gz UHHVKFJCPPBKQU-UHFFFAOYSA-N 1 3 320.443 4.067 20 0 DIADHO CCCCOc1ccccc1C[N@H+](C)[C@@H]1CCN(CC)C[C@@H]1C ZINC000468392425 339261610 /nfs/dbraw/zinc/26/16/10/339261610.db2.gz LGWMMFDTJFIKTJ-PKOBYXMFSA-N 1 3 318.505 4.028 20 0 DIADHO CCCCOc1ccccc1C[N@@H+](C)[C@@H]1CCN(CC)C[C@@H]1C ZINC000468392425 339261611 /nfs/dbraw/zinc/26/16/11/339261611.db2.gz LGWMMFDTJFIKTJ-PKOBYXMFSA-N 1 3 318.505 4.028 20 0 DIADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(-c2ccccc2Cl)s1 ZINC000469867350 339303211 /nfs/dbraw/zinc/30/32/11/339303211.db2.gz VIYFXMVVXFPBES-STQMWFEESA-N 1 3 320.889 4.238 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000470354694 339318009 /nfs/dbraw/zinc/31/80/09/339318009.db2.gz RPJQRCXVTQGIHS-HZPDHXFCSA-N 1 3 308.897 4.154 20 0 DIADHO C[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)C1CCC(F)(F)CC1 ZINC000474029962 339397771 /nfs/dbraw/zinc/39/77/71/339397771.db2.gz GRDJHMIQEXYLDF-LSDHHAIUSA-N 1 3 302.453 4.055 20 0 DIADHO C[C@H]([NH2+]Cc1ccc(CN(C)C)cc1)C1CCC(F)(F)CC1 ZINC000474035996 339398177 /nfs/dbraw/zinc/39/81/77/339398177.db2.gz STJPMMRJTFDRLY-AWEZNQCLSA-N 1 3 310.432 4.052 20 0 DIADHO C[C@H](NCCCCC[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000482942835 339647699 /nfs/dbraw/zinc/64/76/99/339647699.db2.gz CNDNCTBUJMCBQU-HNNXBMFYSA-N 1 3 310.432 4.272 20 0 DIADHO C/C(=C/c1ccccc1)C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000500433493 340058467 /nfs/dbraw/zinc/05/84/67/340058467.db2.gz OERDUJKGDRXOAJ-CWWQYYKHSA-N 1 3 312.501 4.333 20 0 DIADHO C/C(=C/c1ccccc1)C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000500433494 340058491 /nfs/dbraw/zinc/05/84/91/340058491.db2.gz OERDUJKGDRXOAJ-KQXORWHBSA-N 1 3 312.501 4.333 20 0 DIADHO C[C@@H]([NH2+]CCSC1CCCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000501064297 340073310 /nfs/dbraw/zinc/07/33/10/340073310.db2.gz PXASMRXUMFUONP-IAGOWNOFSA-N 1 3 324.578 4.295 20 0 DIADHO C[C@@H](NCCSC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501064297 340073311 /nfs/dbraw/zinc/07/33/11/340073311.db2.gz PXASMRXUMFUONP-IAGOWNOFSA-N 1 3 324.578 4.295 20 0 DIADHO C[C@@H](NCCSC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000501064297 340073312 /nfs/dbraw/zinc/07/33/12/340073312.db2.gz PXASMRXUMFUONP-IAGOWNOFSA-N 1 3 324.578 4.295 20 0 DIADHO C/C(=C/c1ccccc1C(F)(F)F)CN[C@H](C)CC[NH+](C)C ZINC000501425198 340080622 /nfs/dbraw/zinc/08/06/22/340080622.db2.gz PADWKRJWPUFMPI-YBEMTRGBSA-N 1 3 314.395 4.039 20 0 DIADHO CCC[NH+](CCC)CCCN[C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000501484000 340082069 /nfs/dbraw/zinc/08/20/69/340082069.db2.gz WEVQOEGGJLXWMW-UYAOXDASSA-N 1 3 317.521 4.210 20 0 DIADHO Cc1ccc2c(C3=CC[N@H+](CC[C@@H]4CCCN4C)CC3)c[nH]c2c1 ZINC000503052758 340119735 /nfs/dbraw/zinc/11/97/35/340119735.db2.gz MBOUDJLREUJSRJ-SFHVURJKSA-N 1 3 323.484 4.050 20 0 DIADHO Cc1ccc2c(C3=CC[N@@H+](CC[C@@H]4CCCN4C)CC3)c[nH]c2c1 ZINC000503052758 340119736 /nfs/dbraw/zinc/11/97/36/340119736.db2.gz MBOUDJLREUJSRJ-SFHVURJKSA-N 1 3 323.484 4.050 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000510874729 340313626 /nfs/dbraw/zinc/31/36/26/340313626.db2.gz PEUPWCAAUSEDQS-KLAILNCOSA-N 1 3 320.908 4.296 20 0 DIADHO CC(C)[N@@H+]1CCC[C@H](CNC2CC(c3ccccc3Cl)C2)C1 ZINC000510874729 340313627 /nfs/dbraw/zinc/31/36/27/340313627.db2.gz PEUPWCAAUSEDQS-KLAILNCOSA-N 1 3 320.908 4.296 20 0 DIADHO CC(C)[N@H+]1CCC[C@H](CNC2CC(c3ccccc3Cl)C2)C1 ZINC000510874729 340313628 /nfs/dbraw/zinc/31/36/28/340313628.db2.gz PEUPWCAAUSEDQS-KLAILNCOSA-N 1 3 320.908 4.296 20 0 DIADHO COCC[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)C(C)(C)C ZINC000510996771 340317591 /nfs/dbraw/zinc/31/75/91/340317591.db2.gz UNWDVDVOMZUDSV-NEWSRXKRSA-N 1 3 324.553 4.070 20 0 DIADHO CN1CCC[C@@H]1CC[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511092578 340320424 /nfs/dbraw/zinc/32/04/24/340320424.db2.gz OTNWOTJXSPQRNF-APWZRJJASA-N 1 3 322.443 4.033 20 0 DIADHO CC(C)Sc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000511162095 340322900 /nfs/dbraw/zinc/32/29/00/340322900.db2.gz PQJSQEJXUDDILW-UHFFFAOYSA-N 1 3 320.546 4.351 20 0 DIADHO Cc1cccc2c1CC[C@@H]2N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512316490 340356493 /nfs/dbraw/zinc/35/64/93/340356493.db2.gz ZKKPTLDHDPZVAK-FVJLSDCUSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1cccc2c1CC[C@@H]2N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512316490 340356494 /nfs/dbraw/zinc/35/64/94/340356494.db2.gz ZKKPTLDHDPZVAK-FVJLSDCUSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000512316490 340356495 /nfs/dbraw/zinc/35/64/95/340356495.db2.gz ZKKPTLDHDPZVAK-FVJLSDCUSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1ccsc1[C@H](C)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512313504 340356642 /nfs/dbraw/zinc/35/66/42/340356642.db2.gz JSLBNMJFEKYFDP-OWCLPIDISA-N 1 3 306.519 4.360 20 0 DIADHO Cc1ccsc1[C@H](C)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512313504 340356643 /nfs/dbraw/zinc/35/66/43/340356643.db2.gz JSLBNMJFEKYFDP-OWCLPIDISA-N 1 3 306.519 4.360 20 0 DIADHO Cc1ccsc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000512313504 340356644 /nfs/dbraw/zinc/35/66/44/340356644.db2.gz JSLBNMJFEKYFDP-OWCLPIDISA-N 1 3 306.519 4.360 20 0 DIADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000173344861 340363016 /nfs/dbraw/zinc/36/30/16/340363016.db2.gz FHVSVSVNERQYDM-KBPBESRZSA-N 1 3 314.395 4.088 20 0 DIADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(Cl)c(Cl)c1)C2 ZINC000512568785 340367300 /nfs/dbraw/zinc/36/73/00/340367300.db2.gz JZIQLOJVLVCQDA-PBWFPOADSA-N 1 3 313.272 4.050 20 0 DIADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(Cl)c(Cl)c1)C2 ZINC000512568785 340367301 /nfs/dbraw/zinc/36/73/01/340367301.db2.gz JZIQLOJVLVCQDA-PBWFPOADSA-N 1 3 313.272 4.050 20 0 DIADHO Cc1ccc(C)c(CNC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000512809686 340378669 /nfs/dbraw/zinc/37/86/69/340378669.db2.gz NFAZLQGPLJXENR-UHFFFAOYSA-N 1 3 322.496 4.366 20 0 DIADHO CC(C)CN1CCC([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000178215482 340447807 /nfs/dbraw/zinc/44/78/07/340447807.db2.gz JNKUSJDBQHHTPC-UHFFFAOYSA-N 1 3 320.443 4.065 20 0 DIADHO CCC[NH+]1CCC(CN[C@H](C)c2csc(Cl)c2)CC1 ZINC000191266610 340551967 /nfs/dbraw/zinc/55/19/67/340551967.db2.gz XYACBCJQWISIRG-GFCCVEGCSA-N 1 3 300.899 4.174 20 0 DIADHO CC[NH+](CC)Cc1ccc(CNCc2ccc(C)c(F)c2)cc1 ZINC000236920175 340666345 /nfs/dbraw/zinc/66/63/45/340666345.db2.gz VZIWBJYQWYAHEI-UHFFFAOYSA-N 1 3 314.448 4.266 20 0 DIADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000130246118 341008415 /nfs/dbraw/zinc/00/84/15/341008415.db2.gz GRVGSBULLYFPTH-OWCLPIDISA-N 1 3 320.443 4.065 20 0 DIADHO CSc1ccc([C@H](C)[NH2+]CC[C@H](C)N2CCCCC2)cc1 ZINC000543417948 341043451 /nfs/dbraw/zinc/04/34/51/341043451.db2.gz JHSBAINAOIREGL-HOTGVXAUSA-N 1 3 306.519 4.324 20 0 DIADHO CSc1ccc([C@@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1F ZINC000131189067 341064457 /nfs/dbraw/zinc/06/44/57/341064457.db2.gz QWLPBVWWEVKUEY-CQSZACIVSA-N 1 3 324.509 4.319 20 0 DIADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)cc1 ZINC000544374849 341079076 /nfs/dbraw/zinc/07/90/76/341079076.db2.gz IKURDXJCIKRURN-KZNAEPCWSA-N 1 3 318.505 4.041 20 0 DIADHO Cc1cccc(-c2ccc(CN[C@H]3CC[N@@H+](C)C[C@H]3C)cc2)c1 ZINC000544825686 341094924 /nfs/dbraw/zinc/09/49/24/341094924.db2.gz OPAWGDFPHJYASX-UTKZUKDTSA-N 1 3 308.469 4.092 20 0 DIADHO Cc1cccc(-c2ccc(CN[C@H]3CC[N@H+](C)C[C@H]3C)cc2)c1 ZINC000544825686 341094925 /nfs/dbraw/zinc/09/49/25/341094925.db2.gz OPAWGDFPHJYASX-UTKZUKDTSA-N 1 3 308.469 4.092 20 0 DIADHO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC1(CN(C)C)CCCC1 ZINC000545521252 341128592 /nfs/dbraw/zinc/12/85/92/341128592.db2.gz QCEGHFLRSVWWNK-AWEZNQCLSA-N 1 3 323.550 4.348 20 0 DIADHO C[C@H]1CCCc2ccccc2[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000547321660 341205577 /nfs/dbraw/zinc/20/55/77/341205577.db2.gz GBPPRJFLCPZHIK-KKSFZXQISA-N 1 3 312.501 4.164 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000564319775 341211392 /nfs/dbraw/zinc/21/13/92/341211392.db2.gz YUTARVFEIUWENL-SZVBFZGTSA-N 1 3 320.908 4.296 20 0 DIADHO C[C@@H](CCNCc1cccc2[nH]ccc21)[N@H+](C)Cc1ccccc1 ZINC000237567033 341215870 /nfs/dbraw/zinc/21/58/70/341215870.db2.gz VNNWPTUOBPVMEZ-KRWDZBQOSA-N 1 3 321.468 4.168 20 0 DIADHO C[C@@H](CCNCc1cccc2[nH]ccc21)[N@@H+](C)Cc1ccccc1 ZINC000237567033 341215871 /nfs/dbraw/zinc/21/58/71/341215871.db2.gz VNNWPTUOBPVMEZ-KRWDZBQOSA-N 1 3 321.468 4.168 20 0 DIADHO CC(C)SCCN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000549138970 341287002 /nfs/dbraw/zinc/28/70/02/341287002.db2.gz OSYYAMVUGHJIJO-MJGOQNOKSA-N 1 3 320.546 4.113 20 0 DIADHO CC(C)SCCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000549138970 341287003 /nfs/dbraw/zinc/28/70/03/341287003.db2.gz OSYYAMVUGHJIJO-MJGOQNOKSA-N 1 3 320.546 4.113 20 0 DIADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000245453175 341294979 /nfs/dbraw/zinc/29/49/79/341294979.db2.gz FHVSVSVNERQYDM-KGLIPLIRSA-N 1 3 314.395 4.088 20 0 DIADHO CCN1CC[C@@H](C[NH2+]Cc2sc3c(cccc3Cl)c2C)C1 ZINC000549710702 341301011 /nfs/dbraw/zinc/30/10/11/341301011.db2.gz ASAPCYGNSCCLER-ZDUSSCGKSA-N 1 3 322.905 4.295 20 0 DIADHO CC[N@@H+]1CC[C@@H](CNCc2sc3c(cccc3Cl)c2C)C1 ZINC000549710702 341301012 /nfs/dbraw/zinc/30/10/12/341301012.db2.gz ASAPCYGNSCCLER-ZDUSSCGKSA-N 1 3 322.905 4.295 20 0 DIADHO CC[N@H+]1CC[C@@H](CNCc2sc3c(cccc3Cl)c2C)C1 ZINC000549710702 341301013 /nfs/dbraw/zinc/30/10/13/341301013.db2.gz ASAPCYGNSCCLER-ZDUSSCGKSA-N 1 3 322.905 4.295 20 0 DIADHO CC[NH+]1CCC(NCc2sc3c(cccc3Cl)c2C)CC1 ZINC000550075315 341309610 /nfs/dbraw/zinc/30/96/10/341309610.db2.gz WOCOXGWPOSXSDH-UHFFFAOYSA-N 1 3 322.905 4.437 20 0 DIADHO Fc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000245760679 341313915 /nfs/dbraw/zinc/31/39/15/341313915.db2.gz VMXADRCUPLKZHY-MZADTFQBSA-N 1 3 324.443 4.111 20 0 DIADHO C[C@@]1(C[NH2+]C2CCN(C3CCCC3)CC2)C[C@H]1c1ccccc1 ZINC000550858679 341324895 /nfs/dbraw/zinc/32/48/95/341324895.db2.gz GRAQZNPNEVHWRF-SFTDATJTSA-N 1 3 312.501 4.177 20 0 DIADHO C[C@@]1(CNC2CC[NH+](C3CCCC3)CC2)C[C@H]1c1ccccc1 ZINC000550858679 341324896 /nfs/dbraw/zinc/32/48/96/341324896.db2.gz GRAQZNPNEVHWRF-SFTDATJTSA-N 1 3 312.501 4.177 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2cccc(C3CC3)c2)C1 ZINC000551030146 341329722 /nfs/dbraw/zinc/32/97/22/341329722.db2.gz YHTYDGUWUKKAFE-IAGOWNOFSA-N 1 3 300.490 4.335 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(Cl)s2)C1 ZINC000246989487 341359615 /nfs/dbraw/zinc/35/96/15/341359615.db2.gz KNXDNVZRMQPHIP-CHWSQXEVSA-N 1 3 300.899 4.173 20 0 DIADHO CCc1nc(C)c([C@H](C)NCCCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000247210129 341362205 /nfs/dbraw/zinc/36/22/05/341362205.db2.gz WWJKVJIXCKMAHL-CABCVRRESA-N 1 3 323.550 4.319 20 0 DIADHO CCc1nc(C)c([C@H](C)NCCCC[N@H+]2CCCC[C@H]2C)s1 ZINC000247210129 341362206 /nfs/dbraw/zinc/36/22/06/341362206.db2.gz WWJKVJIXCKMAHL-CABCVRRESA-N 1 3 323.550 4.319 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1cccc(-c2ccncc2)c1 ZINC000247260708 341362832 /nfs/dbraw/zinc/36/28/32/341362832.db2.gz ZEDLAGLFIOBIRS-ZLGUVYLKSA-N 1 3 323.484 4.272 20 0 DIADHO CC[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cccs1 ZINC000248390657 341376279 /nfs/dbraw/zinc/37/62/79/341376279.db2.gz BOGHLGJOASQFFH-ZOBUZTSGSA-N 1 3 306.519 4.442 20 0 DIADHO CC[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cccs1 ZINC000248390657 341376280 /nfs/dbraw/zinc/37/62/80/341376280.db2.gz BOGHLGJOASQFFH-ZOBUZTSGSA-N 1 3 306.519 4.442 20 0 DIADHO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)c1cccs1 ZINC000248390657 341376281 /nfs/dbraw/zinc/37/62/81/341376281.db2.gz BOGHLGJOASQFFH-ZOBUZTSGSA-N 1 3 306.519 4.442 20 0 DIADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)c1cccc(F)c1 ZINC000248407187 341376792 /nfs/dbraw/zinc/37/67/92/341376792.db2.gz UBSIFFWWGNISKC-ZOBUZTSGSA-N 1 3 304.453 4.129 20 0 DIADHO C[C@H](CC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)c1ccccc1 ZINC000248749443 341385816 /nfs/dbraw/zinc/38/58/16/341385816.db2.gz BQOSSJTWHHPZRY-HBFSDRIKSA-N 1 3 314.517 4.423 20 0 DIADHO [NH3+]CCC[C@H](N[C@H]1CCc2c1cccc2Cl)c1ccccc1 ZINC000565945520 341543319 /nfs/dbraw/zinc/54/33/19/341543319.db2.gz NROJEUXSNVXXGK-OALUTQOASA-N 1 3 314.860 4.397 20 0 DIADHO CC(C)[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000294234635 341710843 /nfs/dbraw/zinc/71/08/43/341710843.db2.gz ONQRWYNHGBNPGJ-FQEVSTJZSA-N 1 3 309.457 4.037 20 0 DIADHO Cc1ccc2c(c1)[C@@H](NCc1cccc(C[NH+](C)C)c1)CCC2 ZINC000166070421 341715776 /nfs/dbraw/zinc/71/57/76/341715776.db2.gz JKPUDCPYTJCUDX-NRFANRHFSA-N 1 3 308.469 4.224 20 0 DIADHO CCc1c(C)nc2ccccc2c1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000573147785 341718753 /nfs/dbraw/zinc/71/87/53/341718753.db2.gz NLYZGAFWIACLSA-QGZVFWFLSA-N 1 3 323.484 4.028 20 0 DIADHO C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](CC[NH3+])C1 ZINC000226326665 526045371 /nfs/dbraw/zinc/04/53/71/526045371.db2.gz ICLGBMMUXAAJND-NEPJUHHUSA-N 1 3 301.261 4.115 20 0 DIADHO CC(C)(C)[NH+]1CCC(N[C@@]2(C)CCCc3ccccc32)CC1 ZINC000579747242 1035549900 /nfs/dbraw/zinc/54/99/00/1035549900.db2.gz GAZMUQJSTIFSCY-FQEVSTJZSA-N 1 3 300.490 4.091 20 0 DIADHO C[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(Cl)c1 ZINC000187690942 1035554978 /nfs/dbraw/zinc/55/49/78/1035554978.db2.gz JBNFLFPMAVVSOJ-AWEZNQCLSA-N 1 3 308.897 4.296 20 0 DIADHO C[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(Cl)c1 ZINC000187690956 1035555554 /nfs/dbraw/zinc/55/55/54/1035555554.db2.gz JBNFLFPMAVVSOJ-CQSZACIVSA-N 1 3 308.897 4.296 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000314916498 1035930031 /nfs/dbraw/zinc/93/00/31/1035930031.db2.gz MLUXUGMOIVXOOP-MISYRCLQSA-N 1 3 300.490 4.033 20 0 DIADHO C[C@@H]1C[C@@H]1c1ccc(CNCCCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000237360783 1036366932 /nfs/dbraw/zinc/36/69/32/1036366932.db2.gz NSMVTUSSRXAKLQ-RYRKJORJSA-N 1 3 304.478 4.147 20 0 DIADHO C[C@@H]1C[C@@H]1c1ccc(CNCCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000237360783 1036366951 /nfs/dbraw/zinc/36/69/51/1036366951.db2.gz NSMVTUSSRXAKLQ-RYRKJORJSA-N 1 3 304.478 4.147 20 0 DIADHO CN1CC[C@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CC1(C)C ZINC001648802231 1036369949 /nfs/dbraw/zinc/36/99/49/1036369949.db2.gz AVPAVLOICVZELN-SFHVURJKSA-N 1 3 324.468 4.441 20 0 DIADHO c1ccc2c(c1)-c1ccccc1C2N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324627462 1036427797 /nfs/dbraw/zinc/42/77/97/1036427797.db2.gz PSOPVDBIFBAKOW-IERDGZPVSA-N 1 3 318.464 4.220 20 0 DIADHO C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(Cl)sc1Cl ZINC000655806418 1036555243 /nfs/dbraw/zinc/55/52/43/1036555243.db2.gz UZJWCKHCDLZLBM-BBBLOLIVSA-N 1 3 307.290 4.046 20 0 DIADHO Cc1ccc(CNCCCC[N@H+]2CCCC[C@H]2C)c(Cl)c1 ZINC001648817195 1036579070 /nfs/dbraw/zinc/57/90/70/1036579070.db2.gz YIQMPLWRMQDEDL-MRXNPFEDSA-N 1 3 308.897 4.393 20 0 DIADHO Cc1ccc(CNCCCC[N@@H+]2CCCC[C@H]2C)c(Cl)c1 ZINC001648817195 1036579082 /nfs/dbraw/zinc/57/90/82/1036579082.db2.gz YIQMPLWRMQDEDL-MRXNPFEDSA-N 1 3 308.897 4.393 20 0 DIADHO CC[NH+](CC)Cc1cccc(CNCc2cc(F)ccc2C)c1 ZINC001648826296 1036600693 /nfs/dbraw/zinc/60/06/93/1036600693.db2.gz AJUSFDSSILVVSO-UHFFFAOYSA-N 1 3 314.448 4.266 20 0 DIADHO C[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000124595844 1037011481 /nfs/dbraw/zinc/01/14/81/1037011481.db2.gz WONNBZQOPMDOQO-MRXNPFEDSA-N 1 3 318.480 4.316 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCc3c2cccc3Cl)cc1 ZINC000564821983 1037086350 /nfs/dbraw/zinc/08/63/50/1037086350.db2.gz AKAPHYPAVJWBLS-KZULUSFZSA-N 1 3 300.833 4.137 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCCCC12CCCC2 ZINC000564823048 1037093104 /nfs/dbraw/zinc/09/31/04/1037093104.db2.gz WWCDTHSTKBNADB-QAPCUYQASA-N 1 3 301.478 4.002 20 0 DIADHO CC[C@H](CC(F)F)CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001167424233 1037225896 /nfs/dbraw/zinc/22/58/96/1037225896.db2.gz FDUZZPJIDIYLKQ-BRWVUGGUSA-N 1 3 316.480 4.254 20 0 DIADHO CC[C@H](CC(F)F)CN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001167424233 1037225905 /nfs/dbraw/zinc/22/59/05/1037225905.db2.gz FDUZZPJIDIYLKQ-BRWVUGGUSA-N 1 3 316.480 4.254 20 0 DIADHO Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001167429134 1037245737 /nfs/dbraw/zinc/24/57/37/1037245737.db2.gz GVULMYQIGBNOLG-LJQANCHMSA-N 1 3 322.496 4.456 20 0 DIADHO Cc1ccc2ccccc2c1C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001167429134 1037245745 /nfs/dbraw/zinc/24/57/45/1037245745.db2.gz GVULMYQIGBNOLG-LJQANCHMSA-N 1 3 322.496 4.456 20 0 DIADHO Cc1ccc2ccccc2c1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001167429134 1037245757 /nfs/dbraw/zinc/24/57/57/1037245757.db2.gz GVULMYQIGBNOLG-LJQANCHMSA-N 1 3 322.496 4.456 20 0 DIADHO CCSc1ccccc1[C@@H](C)NCc1ccc(C[NH3+])cc1 ZINC000580893302 1037343305 /nfs/dbraw/zinc/34/33/05/1037343305.db2.gz QJBZVBSRCUFACC-CQSZACIVSA-N 1 3 300.471 4.108 20 0 DIADHO CCSc1ccccc1[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC000580893291 1037344317 /nfs/dbraw/zinc/34/43/17/1037344317.db2.gz QJBZVBSRCUFACC-AWEZNQCLSA-N 1 3 300.471 4.108 20 0 DIADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(Cl)c(F)c1 ZINC000581005771 1037401743 /nfs/dbraw/zinc/40/17/43/1037401743.db2.gz JANKXNXIGHYVCU-NWDGAFQWSA-N 1 3 306.812 4.350 20 0 DIADHO Cc1cccc(CN(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000581717065 1037942784 /nfs/dbraw/zinc/94/27/84/1037942784.db2.gz SAARFMJRKRVRGE-UHFFFAOYSA-N 1 3 308.469 4.091 20 0 DIADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cnc2ccsc2c1 ZINC000126537488 1038106356 /nfs/dbraw/zinc/10/63/56/1038106356.db2.gz KNJMSDHDYNTLJV-ZDUSSCGKSA-N 1 3 317.502 4.210 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CNc1ccnc2ccccc21 ZINC000599447590 1038283441 /nfs/dbraw/zinc/28/34/41/1038283441.db2.gz QPIDJIIAWQZQTP-UHFFFAOYSA-N 1 3 319.452 4.111 20 0 DIADHO C[C@H](CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)c1ccccc1 ZINC000604885064 1038462449 /nfs/dbraw/zinc/46/24/49/1038462449.db2.gz FFWWUABVLJJYNP-VAMGGRTRSA-N 1 3 314.517 4.377 20 0 DIADHO C[C@H](CN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)c1ccccc1 ZINC000604885064 1038462453 /nfs/dbraw/zinc/46/24/53/1038462453.db2.gz FFWWUABVLJJYNP-VAMGGRTRSA-N 1 3 314.517 4.377 20 0 DIADHO Cc1cc(C)nc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000707898412 1038498702 /nfs/dbraw/zinc/49/87/02/1038498702.db2.gz IPYHFWIPVATOLC-VAMGGRTRSA-N 1 3 321.468 4.021 20 0 DIADHO Cc1cc(C)nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000707898412 1038498704 /nfs/dbraw/zinc/49/87/04/1038498704.db2.gz IPYHFWIPVATOLC-VAMGGRTRSA-N 1 3 321.468 4.021 20 0 DIADHO CC[N@@H+]1CC[C@H](NCc2ccc(-c3ccccc3)s2)[C@H](C)C1 ZINC000608067435 1038764407 /nfs/dbraw/zinc/76/44/07/1038764407.db2.gz CGFGVBBTZDDDTN-QAPCUYQASA-N 1 3 314.498 4.235 20 0 DIADHO CC[N@H+]1CC[C@H](NCc2ccc(-c3ccccc3)s2)[C@H](C)C1 ZINC000608067435 1038764412 /nfs/dbraw/zinc/76/44/12/1038764412.db2.gz CGFGVBBTZDDDTN-QAPCUYQASA-N 1 3 314.498 4.235 20 0 DIADHO [NH3+][C@@H]1C[C@H](N2CCC(Cc3ccccc3)CC2)c2ccccc21 ZINC000261618826 1039090415 /nfs/dbraw/zinc/09/04/15/1039090415.db2.gz BWTIBKQWHXCFSB-RTWAWAEBSA-N 1 3 306.453 4.086 20 0 DIADHO C[C@@H]1C[C@H](N[C@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)CC[N@@H+]1C ZINC000539558575 1039289293 /nfs/dbraw/zinc/28/92/93/1039289293.db2.gz KOBOZIKTTJWHMK-OLMMMNRUSA-N 1 3 312.501 4.359 20 0 DIADHO C[C@@H]1C[C@H](N[C@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)CC[N@H+]1C ZINC000539558575 1039289303 /nfs/dbraw/zinc/28/93/03/1039289303.db2.gz KOBOZIKTTJWHMK-OLMMMNRUSA-N 1 3 312.501 4.359 20 0 DIADHO CC(C)C[C@H](NCc1ccc(C[NH3+])cc1F)c1ccccc1 ZINC000650753158 1039450258 /nfs/dbraw/zinc/45/02/58/1039450258.db2.gz HZPRCFJNKDZECH-IBGZPJMESA-N 1 3 300.421 4.161 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@@H](c1ccc(C)o1)C1CCCC1 ZINC000650756651 1039462627 /nfs/dbraw/zinc/46/26/27/1039462627.db2.gz HACVNBQSYLAJBU-HXUWFJFHSA-N 1 3 312.457 4.329 20 0 DIADHO CCCOc1ccc([C@@H](C)NCc2ccccc2C[NH2+]C)cc1 ZINC000650758283 1039466927 /nfs/dbraw/zinc/46/69/27/1039466927.db2.gz MOGYHOKKHPYJEL-MRXNPFEDSA-N 1 3 312.457 4.046 20 0 DIADHO CCCN1CC[C@@H](C[NH2+][C@H](c2cc3ccccc3o2)C(C)C)C1 ZINC000540653102 1039534626 /nfs/dbraw/zinc/53/46/26/1039534626.db2.gz QWGOEGDTNKNSCC-JXFKEZNVSA-N 1 3 314.473 4.451 20 0 DIADHO COc1ccc([C@@H]([NH2+]CC[C@@H](C)N2CCCCC2)C2CC2)cc1 ZINC000541559184 1039706971 /nfs/dbraw/zinc/70/69/71/1039706971.db2.gz XJJKNFVCGMVNHI-UZLBHIALSA-N 1 3 316.489 4.000 20 0 DIADHO CCc1ccc(CC[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)cc1 ZINC000541601812 1039715952 /nfs/dbraw/zinc/71/59/52/1039715952.db2.gz QJGCKEKIXSSDAV-PXNSSMCTSA-N 1 3 314.517 4.034 20 0 DIADHO Cc1ccc(C[C@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)s1 ZINC000151870649 1039727258 /nfs/dbraw/zinc/72/72/58/1039727258.db2.gz WJRKAYYBESUGCQ-HNNXBMFYSA-N 1 3 320.546 4.374 20 0 DIADHO CC[NH+]1CCC(N[C@@H](c2ccccc2OC)C2CCCC2)CC1 ZINC000091265300 1039838270 /nfs/dbraw/zinc/83/82/70/1039838270.db2.gz TUAPWPVYMTZDJY-HXUWFJFHSA-N 1 3 316.489 4.000 20 0 DIADHO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000309783850 1040093193 /nfs/dbraw/zinc/09/31/93/1040093193.db2.gz MBFPWGSTMUOCKC-LPHOPBHVSA-N 1 3 314.498 4.057 20 0 DIADHO C[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccccc1Cl ZINC000177341990 1040118133 /nfs/dbraw/zinc/11/81/33/1040118133.db2.gz JLDINHKKTOFOBO-CYBMUJFWSA-N 1 3 320.839 4.392 20 0 DIADHO CC(C)CCC[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168339 1040343479 /nfs/dbraw/zinc/34/34/79/1040343479.db2.gz WADNMKCYUNKIAY-GOSISDBHSA-N 1 3 317.521 4.098 20 0 DIADHO c1ccc(C[N@H+]2CC[C@H](CNCc3ccccc3C3CC3)C2)cc1 ZINC000310069347 1040750528 /nfs/dbraw/zinc/75/05/28/1040750528.db2.gz CULGUGPKGYRNGU-LJQANCHMSA-N 1 3 320.480 4.176 20 0 DIADHO c1ccc(C[N@@H+]2CC[C@H](CNCc3ccccc3C3CC3)C2)cc1 ZINC000310069347 1040750543 /nfs/dbraw/zinc/75/05/43/1040750543.db2.gz CULGUGPKGYRNGU-LJQANCHMSA-N 1 3 320.480 4.176 20 0 DIADHO Cc1cc(C(C)(C)C)cc(C)c1C[NH+]1CCC(N(C)C)CC1 ZINC000613417276 1040934268 /nfs/dbraw/zinc/93/42/68/1040934268.db2.gz KGKRBYFZLVBKRF-UHFFFAOYSA-N 1 3 302.506 4.127 20 0 DIADHO CCSc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121327 1041336853 /nfs/dbraw/zinc/33/68/53/1041336853.db2.gz TZPKYLKXPQEJNN-JKSUJKDBSA-N 1 3 306.519 4.181 20 0 DIADHO COc1ccc([C@@H](C)[NH2+]CCCCF)cc1CN1CCCCC1 ZINC000812738179 1041642448 /nfs/dbraw/zinc/64/24/48/1041642448.db2.gz XZLKUFAHHBYFRC-MRXNPFEDSA-N 1 3 322.468 4.081 20 0 DIADHO COc1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc12 ZINC000364439477 1041790617 /nfs/dbraw/zinc/79/06/17/1041790617.db2.gz DZXFPKHNBNFTPQ-GVDBMIGSSA-N 1 3 324.468 4.126 20 0 DIADHO COc1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc12 ZINC000364439477 1041790624 /nfs/dbraw/zinc/79/06/24/1041790624.db2.gz DZXFPKHNBNFTPQ-GVDBMIGSSA-N 1 3 324.468 4.126 20 0 DIADHO COc1ccc([C@H](C)[NH2+]CC[C@@H](C)F)cc1CN1CCCCC1 ZINC000815645663 1041984786 /nfs/dbraw/zinc/98/47/86/1041984786.db2.gz MMYUAYDUOOPMIX-CVEARBPZSA-N 1 3 322.468 4.080 20 0 DIADHO c1ccc([C@@H]2CC[C@H]([NH2+]C[C@H]3CCCN(CC4CC4)C3)C2)cc1 ZINC000663344062 1042126186 /nfs/dbraw/zinc/12/61/86/1042126186.db2.gz NHZAZFMBYZZHMX-NRSPTQNISA-N 1 3 312.501 4.034 20 0 DIADHO CC[NH+](CC)CCC[C@@H](C)N1CCc2c(Cl)cccc2C1 ZINC001167839403 1042249961 /nfs/dbraw/zinc/24/99/61/1042249961.db2.gz XPOQPKKOFBULFX-OAHLLOKOSA-N 1 3 308.897 4.209 20 0 DIADHO CC[NH+](CC)Cc1ccc(CNCc2ccc3[nH]ccc3c2)cc1 ZINC000326255570 1042275657 /nfs/dbraw/zinc/27/56/57/1042275657.db2.gz CWRPQVVMEGJXPR-UHFFFAOYSA-N 1 3 321.468 4.300 20 0 DIADHO C[C@H](NC1(c2ccc(F)cc2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925847642 1042348507 /nfs/dbraw/zinc/34/85/07/1042348507.db2.gz SVSRUQVIGQCFQW-HNNXBMFYSA-N 1 3 312.432 4.227 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)C1 ZINC000391478030 1042373799 /nfs/dbraw/zinc/37/37/99/1042373799.db2.gz XKHNXXJHLYUFCI-YHELAOLJSA-N 1 3 314.517 4.279 20 0 DIADHO C/C(=C/c1ccc(Cl)cc1)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000513495766 1042547840 /nfs/dbraw/zinc/54/78/40/1042547840.db2.gz UWPYXYVJKQZXMN-QVLZNTHTSA-N 1 3 318.892 4.348 20 0 DIADHO C/C(=C/c1ccc(Cl)cc1)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000513495766 1042547848 /nfs/dbraw/zinc/54/78/48/1042547848.db2.gz UWPYXYVJKQZXMN-QVLZNTHTSA-N 1 3 318.892 4.348 20 0 DIADHO Cc1ccncc1CNCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000280071811 1042563428 /nfs/dbraw/zinc/56/34/28/1042563428.db2.gz XSJNCCXJHWCJCF-GOSISDBHSA-N 1 3 323.484 4.054 20 0 DIADHO Cc1ccncc1CNCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000280071811 1042563434 /nfs/dbraw/zinc/56/34/34/1042563434.db2.gz XSJNCCXJHWCJCF-GOSISDBHSA-N 1 3 323.484 4.054 20 0 DIADHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1ccncc1Cl ZINC000421828445 1042654717 /nfs/dbraw/zinc/65/47/17/1042654717.db2.gz CSEXYAQGFUEJGZ-OAHLLOKOSA-N 1 3 309.885 4.042 20 0 DIADHO Cc1ccccc1[C@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)C(C)C ZINC000422702390 1042687801 /nfs/dbraw/zinc/68/78/01/1042687801.db2.gz DZJJQZLMZSGVSA-OXJNMPFZSA-N 1 3 311.473 4.205 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000422709454 1042688531 /nfs/dbraw/zinc/68/85/31/1042688531.db2.gz DKFCQUNAAFRKOD-FOIQADDNSA-N 1 3 309.457 4.041 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)CCC1CCCCC1 ZINC000422739583 1042689039 /nfs/dbraw/zinc/68/90/39/1042689039.db2.gz ADIDHBPGBJWUNG-LSDHHAIUSA-N 1 3 303.494 4.248 20 0 DIADHO CCc1cccc2c(CCN[C@H]3C[C@H]([NH3+])c4ccccc43)c[nH]c21 ZINC000422907449 1042692321 /nfs/dbraw/zinc/69/23/21/1042692321.db2.gz BWDNABHKLVNKPD-PMACEKPBSA-N 1 3 319.452 4.007 20 0 DIADHO N[C@H]1C[C@@H]([NH2+]CC2(Sc3ccccc3)CC2)c2ccccc21 ZINC000422904010 1042692359 /nfs/dbraw/zinc/69/23/59/1042692359.db2.gz GINDPTKFFPUDFD-ZWKOTPCHSA-N 1 3 310.466 4.046 20 0 DIADHO CC(C)[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000422996224 1042695162 /nfs/dbraw/zinc/69/51/62/1042695162.db2.gz LKIYPYHKKKTQTG-CVEARBPZSA-N 1 3 314.395 4.134 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000423039238 1042696559 /nfs/dbraw/zinc/69/65/59/1042696559.db2.gz FEQAQUQEAXYVPZ-CQSZACIVSA-N 1 3 303.494 4.104 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(C)C)CC1 ZINC000423052201 1042696775 /nfs/dbraw/zinc/69/67/75/1042696775.db2.gz QBZWREBPWHSXIA-USXIJHARSA-N 1 3 303.494 4.104 20 0 DIADHO CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423149428 1042698895 /nfs/dbraw/zinc/69/88/95/1042698895.db2.gz APLNMVVJLUOUBD-DJIMGWMZSA-N 1 3 303.494 4.106 20 0 DIADHO C[C@H]([NH3+])CCN[C@H](Cc1ccccc1Cl)c1cccs1 ZINC000423225659 1042702352 /nfs/dbraw/zinc/70/23/52/1042702352.db2.gz NRUJHAKJSIZFRF-SWLSCSKDSA-N 1 3 308.878 4.012 20 0 DIADHO CC(C)[C@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(F)c(F)c1 ZINC000423290061 1042704576 /nfs/dbraw/zinc/70/45/76/1042704576.db2.gz CFWRVKAARCUFRF-DJJJIMSYSA-N 1 3 318.411 4.471 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000423292095 1042705195 /nfs/dbraw/zinc/70/51/95/1042705195.db2.gz LICYDOJLZMVUKA-XIKOKIGWSA-N 1 3 300.833 4.137 20 0 DIADHO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC[C@@H](C)C[NH3+] ZINC000423294249 1042705746 /nfs/dbraw/zinc/70/57/46/1042705746.db2.gz BMXJFFFQPBPGQE-WDEREUQCSA-N 1 3 323.893 4.017 20 0 DIADHO CSc1ccccc1[C@H](C)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423294510 1042705858 /nfs/dbraw/zinc/70/58/58/1042705858.db2.gz UOFLNHHDHPBNGU-KGLIPLIRSA-N 1 3 300.471 4.279 20 0 DIADHO Cc1ccsc1[C@H](Cc1ccccc1)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423382302 1042709546 /nfs/dbraw/zinc/70/95/46/1042709546.db2.gz OVDMGVFULGORJL-JQHSSLGASA-N 1 3 314.498 4.070 20 0 DIADHO CC[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1F ZINC000423502381 1042715496 /nfs/dbraw/zinc/71/54/96/1042715496.db2.gz DYPGVEMYJIMYGB-RTBURBONSA-N 1 3 300.421 4.347 20 0 DIADHO CC1(C)Cc2occc2[C@@H](N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000423503627 1042715511 /nfs/dbraw/zinc/71/55/11/1042715511.db2.gz MYFSSFQDFAFLGO-MSOLQXFVSA-N 1 3 312.457 4.363 20 0 DIADHO CC[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1F ZINC000423502377 1042715770 /nfs/dbraw/zinc/71/57/70/1042715770.db2.gz DYPGVEMYJIMYGB-OALUTQOASA-N 1 3 300.421 4.347 20 0 DIADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(F)c(F)c1 ZINC000423510883 1042716833 /nfs/dbraw/zinc/71/68/33/1042716833.db2.gz SQBPNJXDRXEPTP-ACJLOTCBSA-N 1 3 304.384 4.096 20 0 DIADHO Cc1nc(-c2cc([C@H](C)[NH2+]C[C@@H](C)CN(C)C)cs2)cs1 ZINC000425947642 1042883194 /nfs/dbraw/zinc/88/31/94/1042883194.db2.gz VVMNKOMABQIBDM-NEPJUHHUSA-N 1 3 323.531 4.028 20 0 DIADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccc(C)c1 ZINC001167967931 1042955963 /nfs/dbraw/zinc/95/59/63/1042955963.db2.gz LOZHFKCSBTWVHT-OTYNDTSQSA-N 1 3 312.501 4.441 20 0 DIADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc(C)c1 ZINC001167967931 1042955964 /nfs/dbraw/zinc/95/59/64/1042955964.db2.gz LOZHFKCSBTWVHT-OTYNDTSQSA-N 1 3 312.501 4.441 20 0 DIADHO CCCC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167974368 1042967267 /nfs/dbraw/zinc/96/72/67/1042967267.db2.gz YBLHMKKJNATGSR-ZHNYMBGRSA-N 1 3 304.522 4.340 20 0 DIADHO CC(C)(C)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167983285 1042977529 /nfs/dbraw/zinc/97/75/29/1042977529.db2.gz FBPKORSNJCFYIR-DFNIBXOVSA-N 1 3 304.522 4.150 20 0 DIADHO CC[C@H](c1ccc(F)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441411728 1043044591 /nfs/dbraw/zinc/04/45/91/1043044591.db2.gz HDWVUWASFNCXOC-PWIZWCRZSA-N 1 3 316.464 4.226 20 0 DIADHO CC[C@H](c1ccc(F)cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441411728 1043044598 /nfs/dbraw/zinc/04/45/98/1043044598.db2.gz HDWVUWASFNCXOC-PWIZWCRZSA-N 1 3 316.464 4.226 20 0 DIADHO Cc1ccc2c(c1)CC[C@@H]2NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000794827912 1043067160 /nfs/dbraw/zinc/06/71/60/1043067160.db2.gz MBGRMVYOVVQCOX-KNQAVFIVSA-N 1 3 320.480 4.094 20 0 DIADHO Cc1ccc2c(c1)CC[C@@H]2NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794827912 1043067171 /nfs/dbraw/zinc/06/71/71/1043067171.db2.gz MBGRMVYOVVQCOX-KNQAVFIVSA-N 1 3 320.480 4.094 20 0 DIADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@@H+]1CC[C@@H](C3CCCCC3)C1)C2 ZINC001167994763 1043068031 /nfs/dbraw/zinc/06/80/31/1043068031.db2.gz NSTOQEHWAZWYSF-MQEZQYLSSA-N 1 3 316.533 4.294 20 0 DIADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@H+]1CC[C@@H](C3CCCCC3)C1)C2 ZINC001167994763 1043068040 /nfs/dbraw/zinc/06/80/40/1043068040.db2.gz NSTOQEHWAZWYSF-MQEZQYLSSA-N 1 3 316.533 4.294 20 0 DIADHO COc1cccc([C@H](C)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000177197675 1043104276 /nfs/dbraw/zinc/10/42/76/1043104276.db2.gz WPYVALLEROAAGQ-KRWDZBQOSA-N 1 3 324.468 4.142 20 0 DIADHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccsc1 ZINC000178424927 1043129032 /nfs/dbraw/zinc/12/90/32/1043129032.db2.gz CTZLKCASEKABSQ-OAHLLOKOSA-N 1 3 300.471 4.195 20 0 DIADHO C[N@H+]1[C@@H]2CC[C@H]1CC(N[C@@H](c1ccc(Cl)cc1)C1CC1)C2 ZINC000192607653 1043273403 /nfs/dbraw/zinc/27/34/03/1043273403.db2.gz LFEXHVNDQYHAII-HQSKLWIPSA-N 1 3 304.865 4.006 20 0 DIADHO C[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@@H](c1ccc(Cl)cc1)C1CC1)C2 ZINC000192607653 1043273409 /nfs/dbraw/zinc/27/34/09/1043273409.db2.gz LFEXHVNDQYHAII-HQSKLWIPSA-N 1 3 304.865 4.006 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCCC12CCCCC2 ZINC000665233957 1043291973 /nfs/dbraw/zinc/29/19/73/1043291973.db2.gz URHZJZNMBVZVST-QAPCUYQASA-N 1 3 301.478 4.002 20 0 DIADHO CC(C)(C)N1CCC([NH2+]CCCCCc2ccc(F)cc2)CC1 ZINC000427846948 1043308270 /nfs/dbraw/zinc/30/82/70/1043308270.db2.gz IXGLZOFQXHYTLP-UHFFFAOYSA-N 1 3 320.496 4.391 20 0 DIADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000665280987 1043374897 /nfs/dbraw/zinc/37/48/97/1043374897.db2.gz RAJWEFNLRVYZFI-CZUORRHYSA-N 1 3 317.502 4.143 20 0 DIADHO C[C@H](N[C@H]1CCc2ccc(F)cc21)c1cccc(C[NH+](C)C)c1 ZINC000925374405 1043415311 /nfs/dbraw/zinc/41/53/11/1043415311.db2.gz NEWVRUBGNIPYKK-XOBRGWDASA-N 1 3 312.432 4.225 20 0 DIADHO C[C@H]([NH2+]C1CCC(C(F)F)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000442839796 1043434687 /nfs/dbraw/zinc/43/46/87/1043434687.db2.gz YEPOLZCPJMAHAK-UIDBIOKJSA-N 1 3 314.464 4.053 20 0 DIADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)C1CCC(F)(F)CC1 ZINC000474061194 1043562710 /nfs/dbraw/zinc/56/27/10/1043562710.db2.gz WBMOIOFBFGDSGF-CQSZACIVSA-N 1 3 314.464 4.197 20 0 DIADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1csc(C(F)(F)F)c1 ZINC000926541133 1043597120 /nfs/dbraw/zinc/59/71/20/1043597120.db2.gz KYKCLBFSQYGJKV-SMHCIBLRSA-N 1 3 318.408 4.043 20 0 DIADHO CC(C)CCN1CCC([NH2+]CC(C)(C)CC(F)(F)F)CC1 ZINC000926734421 1043624058 /nfs/dbraw/zinc/62/40/58/1043624058.db2.gz OVMUZHNBOXMINW-UHFFFAOYSA-N 1 3 308.432 4.065 20 0 DIADHO C[C@H](N[C@H](c1ccccn1)C1CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926753613 1043626392 /nfs/dbraw/zinc/62/63/92/1043626392.db2.gz WCFIEVLQMWZHBW-KKSFZXQISA-N 1 3 323.484 4.335 20 0 DIADHO c1cc2cc(CN[C@H]3CC[NH2+][C@@H](c4ccccc4)C3)ccc2o1 ZINC000665237597 1043643548 /nfs/dbraw/zinc/64/35/48/1043643548.db2.gz FHJJVZNXOGOGEW-RBUKOAKNSA-N 1 3 306.409 4.016 20 0 DIADHO c1cc2cc(CN[C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)ccc2o1 ZINC000665237598 1043643933 /nfs/dbraw/zinc/64/39/33/1043643933.db2.gz FHJJVZNXOGOGEW-RTBURBONSA-N 1 3 306.409 4.016 20 0 DIADHO C[C@H](N[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccc[nH]1 ZINC000877123945 1043746904 /nfs/dbraw/zinc/74/69/04/1043746904.db2.gz GSSNUOZRGQIBIN-KNBMTAEXSA-N 1 3 309.457 4.033 20 0 DIADHO C[C@H](N[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccc[nH]1 ZINC000877123945 1043746911 /nfs/dbraw/zinc/74/69/11/1043746911.db2.gz GSSNUOZRGQIBIN-KNBMTAEXSA-N 1 3 309.457 4.033 20 0 DIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cc3ccccc3s2)[C@H](C)C1 ZINC000536661828 1043808401 /nfs/dbraw/zinc/80/84/01/1043808401.db2.gz GLMSCEUFGMHVTG-RHSMWYFYSA-N 1 3 302.487 4.063 20 0 DIADHO CC[N@H+]1CC[C@@H](N(C)Cc2cc3ccccc3s2)[C@H](C)C1 ZINC000536661828 1043808425 /nfs/dbraw/zinc/80/84/25/1043808425.db2.gz GLMSCEUFGMHVTG-RHSMWYFYSA-N 1 3 302.487 4.063 20 0 DIADHO CCc1cccc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001648965590 1043820318 /nfs/dbraw/zinc/82/03/18/1043820318.db2.gz QKOQCQDQBZMPHN-QFIPXVFZSA-N 1 3 322.496 4.251 20 0 DIADHO CCc1cccc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001648965590 1043820327 /nfs/dbraw/zinc/82/03/27/1043820327.db2.gz QKOQCQDQBZMPHN-QFIPXVFZSA-N 1 3 322.496 4.251 20 0 DIADHO C[C@@H]1CC(N2Cc3ccccc3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039312 1043851834 /nfs/dbraw/zinc/85/18/34/1043851834.db2.gz CWJZABIYYIXEJS-QZTJIDSGSA-N 1 3 320.480 4.444 20 0 DIADHO CCC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000358054985 1044011354 /nfs/dbraw/zinc/01/13/54/1044011354.db2.gz BIRHGJALKYCUAR-WSTZPKSXSA-N 1 3 318.505 4.007 20 0 DIADHO CC1CC[NH+](C[C@@H]2CCCN(CCCCOC(C)(C)C)C2)CC1 ZINC000475052654 1044169423 /nfs/dbraw/zinc/16/94/23/1044169423.db2.gz DZCPFTIKTOHCKW-LJQANCHMSA-N 1 3 324.553 4.026 20 0 DIADHO CN1CCC2(CCC[N@@H+]2[C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000475133286 1044282870 /nfs/dbraw/zinc/28/28/70/1044282870.db2.gz ZAOUGMQZBWHCLF-UXHICEINSA-N 1 3 312.501 4.057 20 0 DIADHO CN1CCC2(CCC[N@H+]2[C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000475133286 1044282886 /nfs/dbraw/zinc/28/28/86/1044282886.db2.gz ZAOUGMQZBWHCLF-UXHICEINSA-N 1 3 312.501 4.057 20 0 DIADHO CC[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000361765842 1044441489 /nfs/dbraw/zinc/44/14/89/1044441489.db2.gz LMRAYKHUBZSJGM-QMMLZNLJSA-N 1 3 323.484 4.033 20 0 DIADHO CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000361765842 1044441494 /nfs/dbraw/zinc/44/14/94/1044441494.db2.gz LMRAYKHUBZSJGM-QMMLZNLJSA-N 1 3 323.484 4.033 20 0 DIADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cc(Cl)cc(Cl)c1 ZINC000296029608 1044584218 /nfs/dbraw/zinc/58/42/18/1044584218.db2.gz SQAPFDRKIXSPSS-FCONBKKXSA-N 1 3 313.272 4.269 20 0 DIADHO CCc1ccccc1CC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000444669587 1044598802 /nfs/dbraw/zinc/59/88/02/1044598802.db2.gz GTJABBAYXQOIDA-XLIONFOSSA-N 1 3 314.517 4.034 20 0 DIADHO CN(C)[C@H]1CCC[N@H+](Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000444690409 1044603949 /nfs/dbraw/zinc/60/39/49/1044603949.db2.gz JSDZTNSNGYFGJM-IBGZPJMESA-N 1 3 314.498 4.331 20 0 DIADHO CN(C)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000444690409 1044603954 /nfs/dbraw/zinc/60/39/54/1044603954.db2.gz JSDZTNSNGYFGJM-IBGZPJMESA-N 1 3 314.498 4.331 20 0 DIADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCSc3ccccc32)c1 ZINC000123619953 1044785533 /nfs/dbraw/zinc/78/55/33/1044785533.db2.gz UAURLRWCBKWPJC-GOSISDBHSA-N 1 3 312.482 4.075 20 0 DIADHO C[N@H+](C/C=C/c1ccccc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000525268842 1045025038 /nfs/dbraw/zinc/02/50/38/1045025038.db2.gz BOHVTFCHTUCRAC-SYZXBLONSA-N 1 3 320.480 4.154 20 0 DIADHO C[N@@H+](C/C=C/c1ccccc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000525268842 1045025052 /nfs/dbraw/zinc/02/50/52/1045025052.db2.gz BOHVTFCHTUCRAC-SYZXBLONSA-N 1 3 320.480 4.154 20 0 DIADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1nccc2ccccc21 ZINC000576077276 1045030856 /nfs/dbraw/zinc/03/08/56/1045030856.db2.gz HHAXCQLWNAOGKH-MRXNPFEDSA-N 1 3 319.452 4.147 20 0 DIADHO CC(C)[NH+]1CCC(N[C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000035011938 1045092492 /nfs/dbraw/zinc/09/24/92/1045092492.db2.gz KKVBBMCMRQTOEQ-SFHVURJKSA-N 1 3 306.881 4.254 20 0 DIADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCN1CCCC[C@H]1C ZINC000300531039 1045161788 /nfs/dbraw/zinc/16/17/88/1045161788.db2.gz QEUNIHSHRUAIRJ-JKSUJKDBSA-N 1 3 308.897 4.125 20 0 DIADHO COc1cccc([C@@H](C)N[C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000924722109 1045195108 /nfs/dbraw/zinc/19/51/08/1045195108.db2.gz FVWUXBZDRHQBOD-HZPDHXFCSA-N 1 3 312.457 4.169 20 0 DIADHO CCC(F)(F)C(C)(C)C[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000527648696 1045244695 /nfs/dbraw/zinc/24/46/95/1045244695.db2.gz ZPAZMCMVZBHBCD-UHFFFAOYSA-N 1 3 316.480 4.302 20 0 DIADHO CCN1CC[C@H](C[NH2+]Cc2ccccc2-c2ccccc2C)C1 ZINC000449090754 1045348875 /nfs/dbraw/zinc/34/88/75/1045348875.db2.gz NWCDBRWRWRXVMQ-GOSISDBHSA-N 1 3 308.469 4.093 20 0 DIADHO CC[N@@H+]1CC[C@H](CNCc2ccccc2-c2ccccc2C)C1 ZINC000449090754 1045348878 /nfs/dbraw/zinc/34/88/78/1045348878.db2.gz NWCDBRWRWRXVMQ-GOSISDBHSA-N 1 3 308.469 4.093 20 0 DIADHO CC[N@H+]1CC[C@H](CNCc2ccccc2-c2ccccc2C)C1 ZINC000449090754 1045348882 /nfs/dbraw/zinc/34/88/82/1045348882.db2.gz NWCDBRWRWRXVMQ-GOSISDBHSA-N 1 3 308.469 4.093 20 0 DIADHO CSCC1CCC([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 ZINC000449231299 1045365225 /nfs/dbraw/zinc/36/52/25/1045365225.db2.gz DCUZWTHDMBVVOX-PBHCIXSXSA-N 1 3 324.578 4.151 20 0 DIADHO CO[C@H]([C@@H](C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000449631192 1045422198 /nfs/dbraw/zinc/42/21/98/1045422198.db2.gz OKCUFRVIMHNVTC-CRAIPNDOSA-N 1 3 324.553 4.069 20 0 DIADHO C[C@H]([NH2+]CC/C=C\c1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000450729085 1045554093 /nfs/dbraw/zinc/55/40/93/1045554093.db2.gz QZVBWZXESBVYED-SEIQDPLISA-N 1 3 312.501 4.333 20 0 DIADHO Cc1cc(C[N@@H+]2CCCC[C@@H]2CCN2CCCC2)c(C)s1 ZINC001138567405 1045663220 /nfs/dbraw/zinc/66/32/20/1045663220.db2.gz ABHOZNXRQDZOLX-GOSISDBHSA-N 1 3 306.519 4.205 20 0 DIADHO Cc1cc(C[N@H+]2CCCC[C@@H]2CCN2CCCC2)c(C)s1 ZINC001138567405 1045663225 /nfs/dbraw/zinc/66/32/25/1045663225.db2.gz ABHOZNXRQDZOLX-GOSISDBHSA-N 1 3 306.519 4.205 20 0 DIADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCc3c2cccc3Cl)c1 ZINC000531688352 1045892927 /nfs/dbraw/zinc/89/29/27/1045892927.db2.gz NXHJFDXDGGCWFH-LJQANCHMSA-N 1 3 314.860 4.179 20 0 DIADHO Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1-c1ccccc1 ZINC000193314914 1045991487 /nfs/dbraw/zinc/99/14/87/1045991487.db2.gz IIPCYVCUNCXFJU-SEJPIABJSA-N 1 3 320.480 4.377 20 0 DIADHO COc1ccc([C@@H](C)N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1C ZINC000902406872 1045992294 /nfs/dbraw/zinc/99/22/94/1045992294.db2.gz VTPLYGSFDMEIKO-NSISKUIASA-N 1 3 324.468 4.148 20 0 DIADHO CCC[N@H+](CCCN(C)C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC001137866059 1045992645 /nfs/dbraw/zinc/99/26/45/1045992645.db2.gz WVVFFFDFMRVZCY-UHFFFAOYSA-N 1 3 320.374 4.008 20 0 DIADHO CCC[N@@H+](CCCN(C)C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC001137866059 1045992656 /nfs/dbraw/zinc/99/26/56/1045992656.db2.gz WVVFFFDFMRVZCY-UHFFFAOYSA-N 1 3 320.374 4.008 20 0 DIADHO C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(-c2ccncc2)c1 ZINC000635011632 1046172776 /nfs/dbraw/zinc/17/27/76/1046172776.db2.gz OKPIBDQTMNOKPI-UZLBHIALSA-N 1 3 323.484 4.177 20 0 DIADHO Cc1ccccc1[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000677241259 1046477766 /nfs/dbraw/zinc/47/77/66/1046477766.db2.gz OOVLEOOBXURJPB-LNLFQRSKSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccccc1[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000677241259 1046477772 /nfs/dbraw/zinc/47/77/72/1046477772.db2.gz OOVLEOOBXURJPB-LNLFQRSKSA-N 1 3 300.490 4.299 20 0 DIADHO CCC[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccccn1 ZINC000195139206 1046590646 /nfs/dbraw/zinc/59/06/46/1046590646.db2.gz BKKWRVHDXUVEQO-PMACEKPBSA-N 1 3 323.484 4.035 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc2cnccc21 ZINC001140144611 1046600419 /nfs/dbraw/zinc/60/04/19/1046600419.db2.gz FTQJQWNCILQBNL-VQTJNVASSA-N 1 3 323.484 4.074 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc2cnccc21 ZINC001140144611 1046600426 /nfs/dbraw/zinc/60/04/26/1046600426.db2.gz FTQJQWNCILQBNL-VQTJNVASSA-N 1 3 323.484 4.074 20 0 DIADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000533394592 1046716419 /nfs/dbraw/zinc/71/64/19/1046716419.db2.gz HILBCVFKVOLXNZ-BLLLJJGKSA-N 1 3 315.288 4.156 20 0 DIADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000533394592 1046716429 /nfs/dbraw/zinc/71/64/29/1046716429.db2.gz HILBCVFKVOLXNZ-BLLLJJGKSA-N 1 3 315.288 4.156 20 0 DIADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000533394593 1046716689 /nfs/dbraw/zinc/71/66/89/1046716689.db2.gz HILBCVFKVOLXNZ-LRDDRELGSA-N 1 3 315.288 4.156 20 0 DIADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000533394593 1046716704 /nfs/dbraw/zinc/71/67/04/1046716704.db2.gz HILBCVFKVOLXNZ-LRDDRELGSA-N 1 3 315.288 4.156 20 0 DIADHO Cc1cc(C)c([C@H](C)N2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000533425952 1046721092 /nfs/dbraw/zinc/72/10/92/1046721092.db2.gz ULILGJMEJOZVMI-RBUKOAKNSA-N 1 3 300.490 4.091 20 0 DIADHO Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@H](CN3CCCC3)C2)c(C)c1 ZINC000533425952 1046721103 /nfs/dbraw/zinc/72/11/03/1046721103.db2.gz ULILGJMEJOZVMI-RBUKOAKNSA-N 1 3 300.490 4.091 20 0 DIADHO Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H](CN3CCCC3)C2)c(C)c1 ZINC000533425952 1046721118 /nfs/dbraw/zinc/72/11/18/1046721118.db2.gz ULILGJMEJOZVMI-RBUKOAKNSA-N 1 3 300.490 4.091 20 0 DIADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1cccc(C(F)(F)F)c1 ZINC000678997713 1046752475 /nfs/dbraw/zinc/75/24/75/1046752475.db2.gz ISPPMXBIWXMDEX-BBRMVZONSA-N 1 3 314.395 4.230 20 0 DIADHO C[C@@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccncc1 ZINC000247493164 1046827896 /nfs/dbraw/zinc/82/78/96/1046827896.db2.gz WGRUHUUVUNZPQY-ZWKOTPCHSA-N 1 3 323.484 4.164 20 0 DIADHO C[C@@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccncc1 ZINC000247493164 1046827913 /nfs/dbraw/zinc/82/79/13/1046827913.db2.gz WGRUHUUVUNZPQY-ZWKOTPCHSA-N 1 3 323.484 4.164 20 0 DIADHO Oc1ccc(CNCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000679393191 1046835992 /nfs/dbraw/zinc/83/59/92/1046835992.db2.gz HMNQWXNIUQJERR-UHFFFAOYSA-N 1 3 324.468 4.058 20 0 DIADHO CC(C)N(Cc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206581631 1046901674 /nfs/dbraw/zinc/90/16/74/1046901674.db2.gz KOZNGNDUVXRAAL-MRXNPFEDSA-N 1 3 315.288 4.346 20 0 DIADHO COc1ccc([C@@H](CC(C)C)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000647292015 1046970441 /nfs/dbraw/zinc/97/04/41/1046970441.db2.gz JKYKSQNGRHPNTR-HXUWFJFHSA-N 1 3 318.505 4.245 20 0 DIADHO CN1CCC[C@H]1CC[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC001168274276 1046972716 /nfs/dbraw/zinc/97/27/16/1046972716.db2.gz CAWVGDHBOIXTGO-VXKWHMMOSA-N 1 3 320.480 4.270 20 0 DIADHO CN1CCC[C@H]1CC[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC001168274276 1046972725 /nfs/dbraw/zinc/97/27/25/1046972725.db2.gz CAWVGDHBOIXTGO-VXKWHMMOSA-N 1 3 320.480 4.270 20 0 DIADHO C[C@@H](c1ccc(F)c(Cl)c1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179007 1047009148 /nfs/dbraw/zinc/00/91/48/1047009148.db2.gz XVAOLOBEPZTGLZ-AWEZNQCLSA-N 1 3 324.871 4.348 20 0 DIADHO Clc1ccccc1SCCC[N@H+](C1CC1)C1CCNCC1 ZINC000647814770 1047017218 /nfs/dbraw/zinc/01/72/18/1047017218.db2.gz FFDDSMARVWNOFV-UHFFFAOYSA-N 1 3 324.921 4.039 20 0 DIADHO Clc1ccccc1SCCC[N@@H+](C1CC1)C1CCNCC1 ZINC000647814770 1047017232 /nfs/dbraw/zinc/01/72/32/1047017232.db2.gz FFDDSMARVWNOFV-UHFFFAOYSA-N 1 3 324.921 4.039 20 0 DIADHO Clc1ccccc1SCCCN(C1CC1)C1CC[NH2+]CC1 ZINC000647814770 1047017247 /nfs/dbraw/zinc/01/72/47/1047017247.db2.gz FFDDSMARVWNOFV-UHFFFAOYSA-N 1 3 324.921 4.039 20 0 DIADHO Cc1ccc(CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)o1 ZINC000536667936 1047060463 /nfs/dbraw/zinc/06/04/63/1047060463.db2.gz SFUGYMFKWGFTGQ-INIZCTEOSA-N 1 3 304.478 4.065 20 0 DIADHO Cc1ccc(CN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)o1 ZINC000536667936 1047060479 /nfs/dbraw/zinc/06/04/79/1047060479.db2.gz SFUGYMFKWGFTGQ-INIZCTEOSA-N 1 3 304.478 4.065 20 0 DIADHO CCN(Cc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536711285 1047086211 /nfs/dbraw/zinc/08/62/11/1047086211.db2.gz YBIVWYGTRBRQCS-NRFANRHFSA-N 1 3 308.469 4.031 20 0 DIADHO CCN(Cc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536711285 1047086224 /nfs/dbraw/zinc/08/62/24/1047086224.db2.gz YBIVWYGTRBRQCS-NRFANRHFSA-N 1 3 308.469 4.031 20 0 DIADHO Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379646896 1047090065 /nfs/dbraw/zinc/09/00/65/1047090065.db2.gz JQRIKUFUDAJGET-NQIIRXRSSA-N 1 3 308.469 4.138 20 0 DIADHO Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379646896 1047090079 /nfs/dbraw/zinc/09/00/79/1047090079.db2.gz JQRIKUFUDAJGET-NQIIRXRSSA-N 1 3 308.469 4.138 20 0 DIADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCCC(F)(F)C3)CC2)C1 ZINC000536851617 1047111603 /nfs/dbraw/zinc/11/16/03/1047111603.db2.gz LRTRVCJNLLGLIS-PVAVHDDUSA-N 1 3 314.464 4.197 20 0 DIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCCC(F)(F)C3)CC2)C1 ZINC000536851617 1047111608 /nfs/dbraw/zinc/11/16/08/1047111608.db2.gz LRTRVCJNLLGLIS-PVAVHDDUSA-N 1 3 314.464 4.197 20 0 DIADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](c2ccccc2)C2CC2)C1 ZINC000537014112 1047131764 /nfs/dbraw/zinc/13/17/64/1047131764.db2.gz CBHAQBXVFRMXLD-XLIONFOSSA-N 1 3 300.490 4.095 20 0 DIADHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](c2ccccc2)C2CC2)C1 ZINC000537014112 1047131770 /nfs/dbraw/zinc/13/17/70/1047131770.db2.gz CBHAQBXVFRMXLD-XLIONFOSSA-N 1 3 300.490 4.095 20 0 DIADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CCN1 ZINC000423367312 1047143442 /nfs/dbraw/zinc/14/34/42/1047143442.db2.gz AEGDCDSGHUFQEI-HUHSQHJXSA-N 1 3 306.881 4.096 20 0 DIADHO C[NH2+]Cc1ccccc1CNCc1ccc(C(C)(C)C)s1 ZINC000650719652 1047276315 /nfs/dbraw/zinc/27/63/15/1047276315.db2.gz XXDDWPYPCGTDHX-UHFFFAOYSA-N 1 3 302.487 4.055 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000650758335 1047278834 /nfs/dbraw/zinc/27/88/34/1047278834.db2.gz NKYNFYWWVBGXBO-HNNXBMFYSA-N 1 3 300.421 4.013 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000650758610 1047278937 /nfs/dbraw/zinc/27/89/37/1047278937.db2.gz TWWMVQGKGKXIQZ-HXUWFJFHSA-N 1 3 324.468 4.026 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1sc(C(C)C)nc1C ZINC000650758135 1047279841 /nfs/dbraw/zinc/27/98/41/1047279841.db2.gz KBRLAAHAXQDIJO-CYBMUJFWSA-N 1 3 317.502 4.145 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1oc2ccccc2c1C ZINC000650757928 1047279953 /nfs/dbraw/zinc/27/99/53/1047279953.db2.gz FCQNAVSHTZXMBA-OAHLLOKOSA-N 1 3 308.425 4.311 20 0 DIADHO C[C@H]1CC[C@H](NCc2ccc(C[NH3+])cc2F)c2sccc21 ZINC000650756212 1047280366 /nfs/dbraw/zinc/28/03/66/1047280366.db2.gz WPBHRBOZLHZJLV-ZBEGNZNMSA-N 1 3 304.434 4.074 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(SC(F)F)cc2)cc1 ZINC000841030691 1047373763 /nfs/dbraw/zinc/37/37/63/1047373763.db2.gz ZACFBWQIEZRVQJ-GFCCVEGCSA-N 1 3 322.424 4.311 20 0 DIADHO COc1cccc2cc(CN[C@H](CCC[NH3+])c3ccccc3)oc21 ZINC000841086587 1047381526 /nfs/dbraw/zinc/38/15/26/1047381526.db2.gz JJHZBFAYZAAWFO-GOSISDBHSA-N 1 3 324.424 4.011 20 0 DIADHO C[NH+](C)C1CCC(NC2c3ccccc3Oc3ccccc32)CC1 ZINC001168304299 1047381925 /nfs/dbraw/zinc/38/19/25/1047381925.db2.gz UNJWGBXTGKVKJH-UHFFFAOYSA-N 1 3 322.452 4.344 20 0 DIADHO C[N@H+](CCCN1CCCC1)Cc1ccccc1-c1ccccc1 ZINC001142339137 1047433169 /nfs/dbraw/zinc/43/31/69/1047433169.db2.gz GQHJWIQGYBRYSX-UHFFFAOYSA-N 1 3 308.469 4.271 20 0 DIADHO C[N@@H+](CCCN1CCCC1)Cc1ccccc1-c1ccccc1 ZINC001142339137 1047433172 /nfs/dbraw/zinc/43/31/72/1047433172.db2.gz GQHJWIQGYBRYSX-UHFFFAOYSA-N 1 3 308.469 4.271 20 0 DIADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(SC(F)F)cc1 ZINC000843343869 1047543810 /nfs/dbraw/zinc/54/38/10/1047543810.db2.gz IVXLNWFFPKFTEW-GFCCVEGCSA-N 1 3 322.424 4.311 20 0 DIADHO C/C(=C\c1ccc(Cl)cc1)CNC[C@H]1CCCC[N@@H+](C)C1 ZINC001203136740 1047550343 /nfs/dbraw/zinc/55/03/43/1047550343.db2.gz SRGRAJXVGDLDLF-GSPCDJLXSA-N 1 3 306.881 4.065 20 0 DIADHO C/C(=C\c1ccc(Cl)cc1)CNC[C@H]1CCCC[N@H+](C)C1 ZINC001203136740 1047550345 /nfs/dbraw/zinc/55/03/45/1047550345.db2.gz SRGRAJXVGDLDLF-GSPCDJLXSA-N 1 3 306.881 4.065 20 0 DIADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc(OCC)cc2)CC1 ZINC000122967919 1047565439 /nfs/dbraw/zinc/56/54/39/1047565439.db2.gz UILARXSEBDTXRX-INIZCTEOSA-N 1 3 304.478 4.000 20 0 DIADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCCN1CCCCC1 ZINC000315360000 1047604127 /nfs/dbraw/zinc/60/41/27/1047604127.db2.gz BNXBVJKLSYRDEI-CQSZACIVSA-N 1 3 323.550 4.276 20 0 DIADHO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCN1CCCCC1 ZINC000315359997 1047604221 /nfs/dbraw/zinc/60/42/21/1047604221.db2.gz BNXBVJKLSYRDEI-AWEZNQCLSA-N 1 3 323.550 4.276 20 0 DIADHO Clc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCNC3(CCC3)C2)cc1 ZINC000666995423 1047612769 /nfs/dbraw/zinc/61/27/69/1047612769.db2.gz NPXCDLAHOBPFCI-FGTMMUONSA-N 1 3 318.892 4.240 20 0 DIADHO CC1(c2ccccc2)CCC([NH2+][C@H]2CCNC3(CCC3)C2)CC1 ZINC000666995151 1047613156 /nfs/dbraw/zinc/61/31/56/1047613156.db2.gz DWRFEHGSPSCYBO-GPJFCIFZSA-N 1 3 312.501 4.151 20 0 DIADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(F)c1F ZINC000538453657 1047679283 /nfs/dbraw/zinc/67/92/83/1047679283.db2.gz BBWCRXIFBNLOLJ-GJZGRUSLSA-N 1 3 310.432 4.128 20 0 DIADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cccc(F)c1F ZINC000538453657 1047679291 /nfs/dbraw/zinc/67/92/91/1047679291.db2.gz BBWCRXIFBNLOLJ-GJZGRUSLSA-N 1 3 310.432 4.128 20 0 DIADHO CC[NH+]1CCC(N[C@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)CC1 ZINC000538462647 1047680147 /nfs/dbraw/zinc/68/01/47/1047680147.db2.gz SBWNSTWYONVCRV-KXBFYZLASA-N 1 3 312.501 4.360 20 0 DIADHO CC(C)(C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)CN1CCCC1 ZINC000477950391 1047760130 /nfs/dbraw/zinc/76/01/30/1047760130.db2.gz ZGIXFEOVSLGLPP-RBUKOAKNSA-N 1 3 300.490 4.034 20 0 DIADHO C[C@H](CN[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(F)cc(F)c1 ZINC001182961464 1047867866 /nfs/dbraw/zinc/86/78/66/1047867866.db2.gz YYHIHPOSONXJPZ-KDOFPFPSSA-N 1 3 322.443 4.065 20 0 DIADHO C[C@H](CN[C@H]1CC[N@H+](C2CCCCC2)C1)c1cc(F)cc(F)c1 ZINC001182961464 1047867880 /nfs/dbraw/zinc/86/78/80/1047867880.db2.gz YYHIHPOSONXJPZ-KDOFPFPSSA-N 1 3 322.443 4.065 20 0 DIADHO C[C@@H](CN[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(F)cc(F)c1 ZINC001182961462 1047868553 /nfs/dbraw/zinc/86/85/53/1047868553.db2.gz YYHIHPOSONXJPZ-KBXCAEBGSA-N 1 3 322.443 4.065 20 0 DIADHO C[C@@H](CN[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cc(F)cc(F)c1 ZINC001182961462 1047868568 /nfs/dbraw/zinc/86/85/68/1047868568.db2.gz YYHIHPOSONXJPZ-KBXCAEBGSA-N 1 3 322.443 4.065 20 0 DIADHO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc4[nH]ccc4c(C)n3)c2c1 ZINC001160013873 1047968856 /nfs/dbraw/zinc/96/88/56/1047968856.db2.gz WVBCBXHOXPQHKR-ZDUSSCGKSA-N 1 3 318.424 4.013 20 0 DIADHO CN(C)CC(C)(C)C[N@H+](C)CCc1cc(Cl)cc(Cl)c1 ZINC001184196465 1048006624 /nfs/dbraw/zinc/00/66/24/1048006624.db2.gz HLIAQCPOXWFRTE-UHFFFAOYSA-N 1 3 317.304 4.056 20 0 DIADHO CN(C)CC(C)(C)C[N@@H+](C)CCc1cc(Cl)cc(Cl)c1 ZINC001184196465 1048006635 /nfs/dbraw/zinc/00/66/35/1048006635.db2.gz HLIAQCPOXWFRTE-UHFFFAOYSA-N 1 3 317.304 4.056 20 0 DIADHO Cc1ccc(F)cc1CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC001199045367 1048028951 /nfs/dbraw/zinc/02/89/51/1048028951.db2.gz BURGUCADSGEPHW-UHFFFAOYSA-N 1 3 312.432 4.020 20 0 DIADHO CCN(CC)CC[C@@H]([NH2+]CCCC(F)(F)F)c1ccccc1 ZINC001184340244 1048031037 /nfs/dbraw/zinc/03/10/37/1048031037.db2.gz UVQHXUVSGGQXAJ-MRXNPFEDSA-N 1 3 316.411 4.392 20 0 DIADHO CCN(CC)CC[C@@H]([NH2+]C[C@]1(C)CCCS1)c1ccccc1 ZINC001184340879 1048032515 /nfs/dbraw/zinc/03/25/15/1048032515.db2.gz ZSCIUXIBIMUIPJ-MOPGFXCFSA-N 1 3 320.546 4.335 20 0 DIADHO C[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000480095271 1048053795 /nfs/dbraw/zinc/05/37/95/1048053795.db2.gz SCSSMQWMQJTKMG-KRWDZBQOSA-N 1 3 300.490 4.177 20 0 DIADHO C[C@@H]1CCC[N@H+](CCCCNCc2cscc2Cl)C1 ZINC001199336167 1048058559 /nfs/dbraw/zinc/05/85/59/1048058559.db2.gz IHAJVQZLMBVNLO-CYBMUJFWSA-N 1 3 300.899 4.003 20 0 DIADHO C[C@@H]1CCC[N@@H+](CCCCNCc2cscc2Cl)C1 ZINC001199336167 1048058574 /nfs/dbraw/zinc/05/85/74/1048058574.db2.gz IHAJVQZLMBVNLO-CYBMUJFWSA-N 1 3 300.899 4.003 20 0 DIADHO C[C@@H](CCCC(F)(F)F)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000480243577 1048096725 /nfs/dbraw/zinc/09/67/25/1048096725.db2.gz FJMNPDTUFXAPHO-KFWWJZLASA-N 1 3 308.432 4.065 20 0 DIADHO Cc1ccccc1CNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC001200980951 1048164623 /nfs/dbraw/zinc/16/46/23/1048164623.db2.gz QYRDLOHUWMUQQH-OALUTQOASA-N 1 3 322.496 4.241 20 0 DIADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(F)cc1F ZINC000480611143 1048191661 /nfs/dbraw/zinc/19/16/61/1048191661.db2.gz KEPAVDHLWMVUGO-HUUCEWRRSA-N 1 3 310.432 4.128 20 0 DIADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(F)cc1F ZINC000480611143 1048191668 /nfs/dbraw/zinc/19/16/68/1048191668.db2.gz KEPAVDHLWMVUGO-HUUCEWRRSA-N 1 3 310.432 4.128 20 0 DIADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(F)cc1F ZINC000480611137 1048192119 /nfs/dbraw/zinc/19/21/19/1048192119.db2.gz KEPAVDHLWMVUGO-CABCVRRESA-N 1 3 310.432 4.128 20 0 DIADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(F)cc1F ZINC000480611137 1048192122 /nfs/dbraw/zinc/19/21/22/1048192122.db2.gz KEPAVDHLWMVUGO-CABCVRRESA-N 1 3 310.432 4.128 20 0 DIADHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccc(F)cc1F ZINC000480625719 1048199388 /nfs/dbraw/zinc/19/93/88/1048199388.db2.gz NOTBYDKJFLMOJC-CABCVRRESA-N 1 3 310.432 4.270 20 0 DIADHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccc(F)cc1F ZINC000480625719 1048199394 /nfs/dbraw/zinc/19/93/94/1048199394.db2.gz NOTBYDKJFLMOJC-CABCVRRESA-N 1 3 310.432 4.270 20 0 DIADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(-c2ccccc2)c1 ZINC000480741754 1048233241 /nfs/dbraw/zinc/23/32/41/1048233241.db2.gz ACDFYPNSBXPSPS-MSOLQXFVSA-N 1 3 320.480 4.489 20 0 DIADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(-c2ccccc2)c1 ZINC000480741754 1048233245 /nfs/dbraw/zinc/23/32/45/1048233245.db2.gz ACDFYPNSBXPSPS-MSOLQXFVSA-N 1 3 320.480 4.489 20 0 DIADHO CC[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(C)cc1C ZINC001168364657 1048257614 /nfs/dbraw/zinc/25/76/14/1048257614.db2.gz GLBAYZIVXUJPRG-HXUWFJFHSA-N 1 3 300.490 4.219 20 0 DIADHO C[C@H]([NH2+]CCCCc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000481051748 1048303487 /nfs/dbraw/zinc/30/34/87/1048303487.db2.gz CLZQACVAJDMNFH-AZUAARDMSA-N 1 3 314.517 4.252 20 0 DIADHO CC(C)CC[C@H]([NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)C1CC1 ZINC000555235892 1048305251 /nfs/dbraw/zinc/30/52/51/1048305251.db2.gz OGTUJHCXNOSMCB-KPFFTGBYSA-N 1 3 306.538 4.444 20 0 DIADHO CCCCCC[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001201753873 1048366546 /nfs/dbraw/zinc/36/65/46/1048366546.db2.gz DLYRIULFOSQCPC-UHFFFAOYSA-N 1 3 300.490 4.165 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)C1 ZINC000481324276 1048367898 /nfs/dbraw/zinc/36/78/98/1048367898.db2.gz YATOKPFQGBZMBE-IRLDBZIGSA-N 1 3 322.496 4.292 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCCC(C)C)cc2)C1 ZINC000481337694 1048373012 /nfs/dbraw/zinc/37/30/12/1048373012.db2.gz NLRPILRSEOIJRW-ZWKOTPCHSA-N 1 3 318.505 4.104 20 0 DIADHO CCc1ccc([C@@H](CC)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000481438093 1048399551 /nfs/dbraw/zinc/39/95/51/1048399551.db2.gz RJNZXKTXXRZIPK-HXUWFJFHSA-N 1 3 300.490 4.307 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000482339860 1048590169 /nfs/dbraw/zinc/59/01/69/1048590169.db2.gz XQIMPKMJACCLQF-KBXCAEBGSA-N 1 3 306.881 4.037 20 0 DIADHO Cc1cccc(C[C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C2CC2)c1 ZINC000482341724 1048591049 /nfs/dbraw/zinc/59/10/49/1048591049.db2.gz CFSDVNCPSZFLKN-PZJWPPBQSA-N 1 3 314.517 4.026 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000482330516 1048591741 /nfs/dbraw/zinc/59/17/41/1048591741.db2.gz UTKVOPUYXPFVAE-QFBILLFUSA-N 1 3 300.490 4.119 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCc3c2cccc3F)c1 ZINC000482353744 1048593502 /nfs/dbraw/zinc/59/35/02/1048593502.db2.gz RZKRBKUVTQCSLQ-FQEVSTJZSA-N 1 3 312.432 4.055 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCc3c2cccc3F)c1 ZINC000482353744 1048593515 /nfs/dbraw/zinc/59/35/15/1048593515.db2.gz RZKRBKUVTQCSLQ-FQEVSTJZSA-N 1 3 312.432 4.055 20 0 DIADHO Cc1ccc([C@H](C)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000482448289 1048608298 /nfs/dbraw/zinc/60/82/98/1048608298.db2.gz FSCJAPCJWSDSRQ-PZJWPPBQSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1ccc([C@H](C)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000482448289 1048608305 /nfs/dbraw/zinc/60/83/05/1048608305.db2.gz FSCJAPCJWSDSRQ-PZJWPPBQSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000482448289 1048608313 /nfs/dbraw/zinc/60/83/13/1048608313.db2.gz FSCJAPCJWSDSRQ-PZJWPPBQSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000482438075 1048609695 /nfs/dbraw/zinc/60/96/95/1048609695.db2.gz LESARQUQTXOFHI-CTNGQTDRSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1ccccc1[C@@H](C)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000482438075 1048609712 /nfs/dbraw/zinc/60/97/12/1048609712.db2.gz LESARQUQTXOFHI-CTNGQTDRSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1ccccc1[C@@H](C)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482438075 1048609720 /nfs/dbraw/zinc/60/97/20/1048609720.db2.gz LESARQUQTXOFHI-CTNGQTDRSA-N 1 3 322.496 4.210 20 0 DIADHO COc1ccc([C@H](C)[NH2+][C@@H]2C=CCC2)cc1CN1CCCCC1 ZINC000850508162 1048673235 /nfs/dbraw/zinc/67/32/35/1048673235.db2.gz IBRJRYMTBSNVBC-QFBILLFUSA-N 1 3 314.473 4.050 20 0 DIADHO COc1ccc([C@H](C)[NH2+]CC2CCC2)cc1CN1CCCCC1 ZINC000775383998 1048733523 /nfs/dbraw/zinc/73/35/23/1048733523.db2.gz SLVPTXMIWXYGAQ-INIZCTEOSA-N 1 3 316.489 4.132 20 0 DIADHO C[C@H](CC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)c1ccccc1 ZINC000194608044 1048761389 /nfs/dbraw/zinc/76/13/89/1048761389.db2.gz BQOSSJTWHHPZRY-WSTZPKSXSA-N 1 3 314.517 4.423 20 0 DIADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cscc1Cl ZINC001177299268 1048862064 /nfs/dbraw/zinc/86/20/64/1048862064.db2.gz MYPOPESGXOVUBY-CYBMUJFWSA-N 1 3 300.899 4.146 20 0 DIADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cscc1Cl ZINC001177299268 1048862079 /nfs/dbraw/zinc/86/20/79/1048862079.db2.gz MYPOPESGXOVUBY-CYBMUJFWSA-N 1 3 300.899 4.146 20 0 DIADHO c1ccc([C@@H](CC2CCC2)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC001168368584 1048900755 /nfs/dbraw/zinc/90/07/55/1048900755.db2.gz LVYPRUFJLDEEAE-OAQYLSRUSA-N 1 3 312.501 4.382 20 0 DIADHO C[C@@H]1CC[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C[C@H]1C ZINC001177581651 1048919716 /nfs/dbraw/zinc/91/97/16/1048919716.db2.gz NVFLNNKYQWSKID-MBOZVWFJSA-N 1 3 306.538 4.445 20 0 DIADHO CCCc1ccc(CNCc2cccc(C[N@H+](C)CC)c2)s1 ZINC001177737614 1048939404 /nfs/dbraw/zinc/93/94/04/1048939404.db2.gz UKCQKDLJZJDPST-UHFFFAOYSA-N 1 3 316.514 4.442 20 0 DIADHO CCCc1ccc(CNCc2cccc(C[N@@H+](C)CC)c2)s1 ZINC001177737614 1048939413 /nfs/dbraw/zinc/93/94/13/1048939413.db2.gz UKCQKDLJZJDPST-UHFFFAOYSA-N 1 3 316.514 4.442 20 0 DIADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]C[C@H]4CC=CCC4)[C@@H]3C2)cc1 ZINC001178285414 1049012690 /nfs/dbraw/zinc/01/26/90/1049012690.db2.gz QELSUCHLRVGEFG-VXSCBNMQSA-N 1 3 324.512 4.233 20 0 DIADHO Cc1c2ccccc2sc1[C@@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001178436286 1049032155 /nfs/dbraw/zinc/03/21/55/1049032155.db2.gz HMUJGASCWFEOOG-BZUAXINKSA-N 1 3 314.498 4.487 20 0 DIADHO Cc1c2ccccc2sc1[C@@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001178436286 1049032164 /nfs/dbraw/zinc/03/21/64/1049032164.db2.gz HMUJGASCWFEOOG-BZUAXINKSA-N 1 3 314.498 4.487 20 0 DIADHO Cc1cccc(CNCC[NH+]2CCC3(CCCCC3)CC2)c1C ZINC001178561143 1049061745 /nfs/dbraw/zinc/06/17/45/1049061745.db2.gz BJNZVCTYXFEAFV-UHFFFAOYSA-N 1 3 314.517 4.439 20 0 DIADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H](C)C2(C)CC2)ccc1OC ZINC000776882683 1049089533 /nfs/dbraw/zinc/08/95/33/1049089533.db2.gz QREKEYZSIMKLLF-JKSUJKDBSA-N 1 3 318.505 4.376 20 0 DIADHO Cc1c2cccc(Cl)c2sc1CNC[C@@H](C)C[NH+](C)C ZINC001178811742 1049092853 /nfs/dbraw/zinc/09/28/53/1049092853.db2.gz WYYQPOZYGBOFLE-LLVKDONJSA-N 1 3 310.894 4.150 20 0 DIADHO Cc1ccccc1SC[C@@H](C)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC001193392900 1049205957 /nfs/dbraw/zinc/20/59/57/1049205957.db2.gz OHYGBUVLBYJZFW-WMZOPIPTSA-N 1 3 320.546 4.139 20 0 DIADHO Cc1ccccc1SC[C@@H](C)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC001193392900 1049205971 /nfs/dbraw/zinc/20/59/71/1049205971.db2.gz OHYGBUVLBYJZFW-WMZOPIPTSA-N 1 3 320.546 4.139 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@@H]3CC[C@@H]4C[N@@H+](C)C[C@H]34)c2)cc1 ZINC001179815314 1049210590 /nfs/dbraw/zinc/21/05/90/1049210590.db2.gz FXQWNFBTOPEUNU-BHIFYINESA-N 1 3 320.480 4.092 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@@H]3CC[C@@H]4C[N@H+](C)C[C@H]34)c2)cc1 ZINC001179815314 1049210599 /nfs/dbraw/zinc/21/05/99/1049210599.db2.gz FXQWNFBTOPEUNU-BHIFYINESA-N 1 3 320.480 4.092 20 0 DIADHO Cc1ccc(-c2cccc(C[NH2+][C@@H]3CC[C@@H]4CN(C)C[C@H]34)c2)cc1 ZINC001179815314 1049210611 /nfs/dbraw/zinc/21/06/11/1049210611.db2.gz FXQWNFBTOPEUNU-BHIFYINESA-N 1 3 320.480 4.092 20 0 DIADHO CCN(CC)Cc1cc(-c2ccc(C[NH+](C)C)cc2)ccc1F ZINC001204660631 1049216319 /nfs/dbraw/zinc/21/63/19/1049216319.db2.gz JVXHAOMSWFRAQN-UHFFFAOYSA-N 1 3 314.448 4.396 20 0 DIADHO C[C@H](CC1CCCCC1)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001179878333 1049225955 /nfs/dbraw/zinc/22/59/55/1049225955.db2.gz OIVJZOHLSATOHT-QUCCMNQESA-N 1 3 306.538 4.401 20 0 DIADHO C[C@H](CC1CCCCC1)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001179878333 1049225959 /nfs/dbraw/zinc/22/59/59/1049225959.db2.gz OIVJZOHLSATOHT-QUCCMNQESA-N 1 3 306.538 4.401 20 0 DIADHO Cc1cccc(C)c1-c1cccc(CN2CCC[C@H]([NH3+])CC2)c1 ZINC001205124432 1049386674 /nfs/dbraw/zinc/38/66/74/1049386674.db2.gz RLXVGXASXMJYOF-FQEVSTJZSA-N 1 3 308.469 4.284 20 0 DIADHO C[C@]1([NH3+])CCCN(Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC001205265283 1049421947 /nfs/dbraw/zinc/42/19/47/1049421947.db2.gz PMDQMHPHFMNSMC-FQEVSTJZSA-N 1 3 310.441 4.182 20 0 DIADHO C[C@]1([NH3+])CCCN(Cc2ccc(C3CCCCC3)cc2)CC1 ZINC001205296304 1049430966 /nfs/dbraw/zinc/43/09/66/1049430966.db2.gz LOTBMVBUCJHZQP-FQEVSTJZSA-N 1 3 300.490 4.438 20 0 DIADHO C[C@H]1CCNCC[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001205333200 1049441069 /nfs/dbraw/zinc/44/10/69/1049441069.db2.gz XPRLMHRQJLPRRK-HNNXBMFYSA-N 1 3 314.860 4.191 20 0 DIADHO C[C@H]1CCNCC[N@H+]1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001205333200 1049441071 /nfs/dbraw/zinc/44/10/71/1049441071.db2.gz XPRLMHRQJLPRRK-HNNXBMFYSA-N 1 3 314.860 4.191 20 0 DIADHO C[C@H]1CCNCC[N@@H+]1Cc1ccc(-c2ccccc2Cl)cc1 ZINC001205332846 1049441581 /nfs/dbraw/zinc/44/15/81/1049441581.db2.gz UTGJXRABSRRDPP-HNNXBMFYSA-N 1 3 314.860 4.191 20 0 DIADHO C[C@H]1CCNCC[N@H+]1Cc1ccc(-c2ccccc2Cl)cc1 ZINC001205332846 1049441584 /nfs/dbraw/zinc/44/15/84/1049441584.db2.gz UTGJXRABSRRDPP-HNNXBMFYSA-N 1 3 314.860 4.191 20 0 DIADHO C[C@H](NC1CC[NH+](CC2CC2)CC1)c1cc2ccccc2s1 ZINC001205423244 1049466872 /nfs/dbraw/zinc/46/68/72/1049466872.db2.gz JDHSQKFGMQKSQL-AWEZNQCLSA-N 1 3 314.498 4.426 20 0 DIADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)CN1CCCC1 ZINC001181428625 1049473856 /nfs/dbraw/zinc/47/38/56/1049473856.db2.gz ZQDMXMCNAOKZDE-WOJBJXKFSA-N 1 3 314.517 4.109 20 0 DIADHO Clc1ccc(CCNC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC001205555913 1049496936 /nfs/dbraw/zinc/49/69/36/1049496936.db2.gz XYGBWKTXWHOZSH-IBGZPJMESA-N 1 3 320.908 4.269 20 0 DIADHO Clc1ccc(CCNC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC001205555913 1049496947 /nfs/dbraw/zinc/49/69/47/1049496947.db2.gz XYGBWKTXWHOZSH-IBGZPJMESA-N 1 3 320.908 4.269 20 0 DIADHO C[C@@H](CNC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC001205555064 1049497626 /nfs/dbraw/zinc/49/76/26/1049497626.db2.gz OGFAXVNYDYQMOY-OXJNMPFZSA-N 1 3 318.480 4.316 20 0 DIADHO C[C@@H](CNC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC001205555064 1049497631 /nfs/dbraw/zinc/49/76/31/1049497631.db2.gz OGFAXVNYDYQMOY-OXJNMPFZSA-N 1 3 318.480 4.316 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001205554471 1049497794 /nfs/dbraw/zinc/49/77/94/1049497794.db2.gz GPGLBOVKVKPOFJ-OXJNMPFZSA-N 1 3 318.480 4.143 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001205554471 1049497799 /nfs/dbraw/zinc/49/77/99/1049497799.db2.gz GPGLBOVKVKPOFJ-OXJNMPFZSA-N 1 3 318.480 4.143 20 0 DIADHO Cc1cc(Cl)c(CN2CC[C@H](C)[C@@H](C[NH3+])CC2)c(Cl)c1 ZINC001205639446 1049518450 /nfs/dbraw/zinc/51/84/50/1049518450.db2.gz ZAMVSLCNOPTXBY-QWHCGFSZSA-N 1 3 315.288 4.109 20 0 DIADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC001205645514 1049521344 /nfs/dbraw/zinc/52/13/44/1049521344.db2.gz JFHNNJPYELZPMI-GOSISDBHSA-N 1 3 316.533 4.454 20 0 DIADHO CCN(CC)CCC[N@@H+](Cc1ccc(C)cc1C)CC(C)C ZINC001195412716 1049521676 /nfs/dbraw/zinc/52/16/76/1049521676.db2.gz GXRWUIQTWQCQIE-UHFFFAOYSA-N 1 3 304.522 4.493 20 0 DIADHO CCN(CC)CCC[N@H+](Cc1ccc(C)cc1C)CC(C)C ZINC001195412716 1049521689 /nfs/dbraw/zinc/52/16/89/1049521689.db2.gz GXRWUIQTWQCQIE-UHFFFAOYSA-N 1 3 304.522 4.493 20 0 DIADHO CC[NH+](CC)CCCN(Cc1ccc(C)cc1C)CC(C)C ZINC001195412716 1049521700 /nfs/dbraw/zinc/52/17/00/1049521700.db2.gz GXRWUIQTWQCQIE-UHFFFAOYSA-N 1 3 304.522 4.493 20 0 DIADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc2oc3ccccc3c2c1 ZINC001205703141 1049536968 /nfs/dbraw/zinc/53/69/68/1049536968.db2.gz WTCWQDQUDHBVHY-HNAYVOBHSA-N 1 3 322.452 4.358 20 0 DIADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc2oc3ccccc3c2c1 ZINC001205703141 1049536978 /nfs/dbraw/zinc/53/69/78/1049536978.db2.gz WTCWQDQUDHBVHY-HNAYVOBHSA-N 1 3 322.452 4.358 20 0 DIADHO CCCCCCOc1ccc(CN2CCC[C@H](C[NH3+])[C@@H]2C)cc1 ZINC001205904512 1049597021 /nfs/dbraw/zinc/59/70/21/1049597021.db2.gz VQMRIFVGQLSADU-PKOBYXMFSA-N 1 3 318.505 4.205 20 0 DIADHO N[C@@H]1CCCC[N@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001205932326 1049606080 /nfs/dbraw/zinc/60/60/80/1049606080.db2.gz QNEYTRPWVGTHQT-OAHLLOKOSA-N 1 3 310.466 4.368 20 0 DIADHO N[C@@H]1CCCC[N@@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001205932326 1049606084 /nfs/dbraw/zinc/60/60/84/1049606084.db2.gz QNEYTRPWVGTHQT-OAHLLOKOSA-N 1 3 310.466 4.368 20 0 DIADHO N[C@H]1CCCC[N@H+](Cc2ccccc2-c2ccc(Cl)cc2)C1 ZINC001205932034 1049606274 /nfs/dbraw/zinc/60/62/74/1049606274.db2.gz NSQXILGTXPLQMK-SFHVURJKSA-N 1 3 314.860 4.320 20 0 DIADHO N[C@H]1CCCC[N@@H+](Cc2ccccc2-c2ccc(Cl)cc2)C1 ZINC001205932034 1049606280 /nfs/dbraw/zinc/60/62/80/1049606280.db2.gz NSQXILGTXPLQMK-SFHVURJKSA-N 1 3 314.860 4.320 20 0 DIADHO Cc1cccc(-c2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)c2)c1 ZINC000774167309 1049617683 /nfs/dbraw/zinc/61/76/83/1049617683.db2.gz BZHKURJALLVVCL-FRIKZZABSA-N 1 3 320.480 4.377 20 0 DIADHO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000864049196 1049638257 /nfs/dbraw/zinc/63/82/57/1049638257.db2.gz CYXXXGSHERKCEL-PBHICJAKSA-N 1 3 318.530 4.042 20 0 DIADHO CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000864049196 1049638262 /nfs/dbraw/zinc/63/82/62/1049638262.db2.gz CYXXXGSHERKCEL-PBHICJAKSA-N 1 3 318.530 4.042 20 0 DIADHO Cc1ccc(CC[N@H+]2CCC[C@@H]2CCN2CCC(C)CC2)cc1 ZINC001196936718 1049706743 /nfs/dbraw/zinc/70/67/43/1049706743.db2.gz UALXGCDHODBMHB-OAQYLSRUSA-N 1 3 314.517 4.124 20 0 DIADHO Cc1ccc(CC[N@@H+]2CCC[C@@H]2CCN2CCC(C)CC2)cc1 ZINC001196936718 1049706757 /nfs/dbraw/zinc/70/67/57/1049706757.db2.gz UALXGCDHODBMHB-OAQYLSRUSA-N 1 3 314.517 4.124 20 0 DIADHO Cc1ccc(CCN2CCC[C@@H]2CC[NH+]2CCC(C)CC2)cc1 ZINC001196936718 1049706765 /nfs/dbraw/zinc/70/67/65/1049706765.db2.gz UALXGCDHODBMHB-OAQYLSRUSA-N 1 3 314.517 4.124 20 0 DIADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2CC2CC3(CCC3)C2)CC1 ZINC001196936023 1049707028 /nfs/dbraw/zinc/70/70/28/1049707028.db2.gz OMFWLNLGWRGHGV-IBGZPJMESA-N 1 3 304.522 4.153 20 0 DIADHO CC1CCN(CC[C@@H]2CCC[N@H+]2CC2CC3(CCC3)C2)CC1 ZINC001196936023 1049707038 /nfs/dbraw/zinc/70/70/38/1049707038.db2.gz OMFWLNLGWRGHGV-IBGZPJMESA-N 1 3 304.522 4.153 20 0 DIADHO CC[N@@H+](CCCN[C@@H](C)CCc1ccco1)C1CCCCC1 ZINC001182743744 1049709547 /nfs/dbraw/zinc/70/95/47/1049709547.db2.gz RTCLVGKILJAYIH-KRWDZBQOSA-N 1 3 306.494 4.235 20 0 DIADHO CC[N@H+](CCCN[C@@H](C)CCc1ccco1)C1CCCCC1 ZINC001182743744 1049709526 /nfs/dbraw/zinc/70/95/26/1049709526.db2.gz RTCLVGKILJAYIH-KRWDZBQOSA-N 1 3 306.494 4.235 20 0 DIADHO C[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1cccc(C[NH+](C)C)c1 ZINC000924843761 1049729569 /nfs/dbraw/zinc/72/95/69/1049729569.db2.gz MWZNABIVCFJTHN-JLTOFOAXSA-N 1 3 312.432 4.225 20 0 DIADHO Cc1c2ccccc2sc1C[N@H+]1CCCC[C@@](C)(CN)C1 ZINC001206548792 1049753686 /nfs/dbraw/zinc/75/36/86/1049753686.db2.gz JCGMJEOWQFDWTA-SFHVURJKSA-N 1 3 302.487 4.161 20 0 DIADHO Cc1c2ccccc2sc1C[N@@H+]1CCCC[C@@](C)(CN)C1 ZINC001206548792 1049753680 /nfs/dbraw/zinc/75/36/80/1049753680.db2.gz JCGMJEOWQFDWTA-SFHVURJKSA-N 1 3 302.487 4.161 20 0 DIADHO Cc1c2ccccc2sc1C[N@@H+]1CCCC[C@](C)(CN)C1 ZINC001206548791 1049754078 /nfs/dbraw/zinc/75/40/78/1049754078.db2.gz JCGMJEOWQFDWTA-GOSISDBHSA-N 1 3 302.487 4.161 20 0 DIADHO Cc1c2ccccc2sc1C[N@H+]1CCCC[C@](C)(CN)C1 ZINC001206548791 1049754092 /nfs/dbraw/zinc/75/40/92/1049754092.db2.gz JCGMJEOWQFDWTA-GOSISDBHSA-N 1 3 302.487 4.161 20 0 DIADHO C[C@]1(C[NH3+])CCCCN(Cc2ccc(-c3cccs3)cc2)C1 ZINC001206563729 1049757427 /nfs/dbraw/zinc/75/74/27/1049757427.db2.gz IBJNSQYCEVZLRG-LJQANCHMSA-N 1 3 314.498 4.366 20 0 DIADHO CC(C)N(Cc1cc2c(cccc2Cl)[nH]1)[C@H]1CCC[NH2+]CC1 ZINC001206579921 1049760722 /nfs/dbraw/zinc/76/07/22/1049760722.db2.gz AZKZPLCJYUZANF-HNNXBMFYSA-N 1 3 319.880 4.174 20 0 DIADHO CC(C)[N@H+](CCCCCc1ccccc1)[C@@H]1CCCNCC1 ZINC001206583462 1049761939 /nfs/dbraw/zinc/76/19/39/1049761939.db2.gz UZMCYZCOVNHDOW-HXUWFJFHSA-N 1 3 302.506 4.252 20 0 DIADHO CC(C)[N@@H+](CCCCCc1ccccc1)[C@@H]1CCCNCC1 ZINC001206583462 1049761944 /nfs/dbraw/zinc/76/19/44/1049761944.db2.gz UZMCYZCOVNHDOW-HXUWFJFHSA-N 1 3 302.506 4.252 20 0 DIADHO CC(C)N(Cc1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC001206582701 1049762682 /nfs/dbraw/zinc/76/26/82/1049762682.db2.gz OMXRGJDLRFQEIB-OAHLLOKOSA-N 1 3 314.395 4.058 20 0 DIADHO CCCCOc1cccc(CN(C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206588576 1049763925 /nfs/dbraw/zinc/76/39/25/1049763925.db2.gz BXEGCHFZWDCFOV-LJQANCHMSA-N 1 3 318.505 4.218 20 0 DIADHO CN1CCCC[C@@H](C[NH2+]C2CCC(C)(c3ccccc3)CC2)C1 ZINC001206680441 1049778558 /nfs/dbraw/zinc/77/85/58/1049778558.db2.gz JXPMFUDRCRMIQS-PELRDEGISA-N 1 3 314.517 4.208 20 0 DIADHO Cc1csc2sc(CN3C[C@H](C[NH3+])CC[C@@H]3C)c(C)c12 ZINC001206769078 1049794898 /nfs/dbraw/zinc/79/48/98/1049794898.db2.gz NHKGILVOTFWFGJ-AAEUAGOBSA-N 1 3 308.516 4.139 20 0 DIADHO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1Cc1ccc2c(c1)CCCC2 ZINC001206800100 1049802517 /nfs/dbraw/zinc/80/25/17/1049802517.db2.gz HWPOLKGGFPJEML-LAUBAEHRSA-N 1 3 314.517 4.118 20 0 DIADHO Cc1cc(Oc2ccccc2)ccc1CN1C[C@H](C[NH3+])CC[C@H]1C ZINC001206808147 1049803620 /nfs/dbraw/zinc/80/36/20/1049803620.db2.gz JVUSKSYXGIKUBY-MSOLQXFVSA-N 1 3 324.468 4.347 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2cccc(C(F)F)c2)CC1 ZINC001207132463 1049842557 /nfs/dbraw/zinc/84/25/57/1049842557.db2.gz HWKRMZYYDTYQAZ-UHFFFAOYSA-N 1 3 310.432 4.321 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2cccc(C(F)F)c2)CC1 ZINC001207132463 1049842565 /nfs/dbraw/zinc/84/25/65/1049842565.db2.gz HWKRMZYYDTYQAZ-UHFFFAOYSA-N 1 3 310.432 4.321 20 0 DIADHO CN(C1CC1)C1CC[NH+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001207198392 1049863401 /nfs/dbraw/zinc/86/34/01/1049863401.db2.gz SQGQXAGGPPAYMP-HNAYVOBHSA-N 1 3 318.892 4.002 20 0 DIADHO C[NH+]1CCC(CCN2CCC[C@H]2c2ccc(Cl)s2)CC1 ZINC001207483927 1049897426 /nfs/dbraw/zinc/89/74/26/1049897426.db2.gz JEDZZZRADYWJQF-AWEZNQCLSA-N 1 3 312.910 4.270 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCCc1ccccc1F ZINC001207494785 1049898723 /nfs/dbraw/zinc/89/87/23/1049898723.db2.gz JSGHPLJMHNDDLN-OALUTQOASA-N 1 3 318.480 4.097 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCCc1ccccc1F ZINC001207494785 1049898727 /nfs/dbraw/zinc/89/87/27/1049898727.db2.gz JSGHPLJMHNDDLN-OALUTQOASA-N 1 3 318.480 4.097 20 0 DIADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1CCCc1ccccc1F ZINC001207494785 1049898733 /nfs/dbraw/zinc/89/87/33/1049898733.db2.gz JSGHPLJMHNDDLN-OALUTQOASA-N 1 3 318.480 4.097 20 0 DIADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1CCCc1ccccc1F ZINC001207494785 1049898737 /nfs/dbraw/zinc/89/87/37/1049898737.db2.gz JSGHPLJMHNDDLN-OALUTQOASA-N 1 3 318.480 4.097 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCCc1cccc(F)c1 ZINC001207605938 1049915924 /nfs/dbraw/zinc/91/59/24/1049915924.db2.gz YICJMJXOEXZGKN-VQTJNVASSA-N 1 3 318.480 4.097 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCCc1cccc(F)c1 ZINC001207605938 1049915927 /nfs/dbraw/zinc/91/59/27/1049915927.db2.gz YICJMJXOEXZGKN-VQTJNVASSA-N 1 3 318.480 4.097 20 0 DIADHO C[C@H](C[N@@H+]1CCCC[C@H]1CCN1CCCC1)c1ccccc1 ZINC001207907762 1049952863 /nfs/dbraw/zinc/95/28/63/1049952863.db2.gz XPJZAOKEIDQFGN-QUCCMNQESA-N 1 3 300.490 4.131 20 0 DIADHO C[C@H](C[N@H+]1CCCC[C@H]1CCN1CCCC1)c1ccccc1 ZINC001207907762 1049952870 /nfs/dbraw/zinc/95/28/70/1049952870.db2.gz XPJZAOKEIDQFGN-QUCCMNQESA-N 1 3 300.490 4.131 20 0 DIADHO CC(C)c1ccc(C[C@@H](C)C[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001207937777 1049960911 /nfs/dbraw/zinc/96/09/11/1049960911.db2.gz UTGGNSLRIIJONO-GOSISDBHSA-N 1 3 314.517 4.016 20 0 DIADHO CC/C=C\CCCN1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001208137288 1049976537 /nfs/dbraw/zinc/97/65/37/1049976537.db2.gz GLJZQQBDWBZZII-PLNGDYQASA-N 1 3 318.480 4.468 20 0 DIADHO CC/C=C\CCCN1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001208137288 1049976546 /nfs/dbraw/zinc/97/65/46/1049976546.db2.gz GLJZQQBDWBZZII-PLNGDYQASA-N 1 3 318.480 4.468 20 0 DIADHO CCCC[NH+]1CCC(N(C)CC[C@H](C)c2ccc(C)o2)CC1 ZINC001208165608 1049980506 /nfs/dbraw/zinc/98/05/06/1049980506.db2.gz SEZGPHGUTXCICI-INIZCTEOSA-N 1 3 306.494 4.278 20 0 DIADHO Cc1ccc([C@H](C)CC[N@@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)o1 ZINC001208170448 1049981630 /nfs/dbraw/zinc/98/16/30/1049981630.db2.gz XDSOCSHGOSKXRR-NZSAHSFTSA-N 1 3 318.505 4.420 20 0 DIADHO Cc1ccc([C@H](C)CC[N@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)o1 ZINC001208170448 1049981633 /nfs/dbraw/zinc/98/16/33/1049981633.db2.gz XDSOCSHGOSKXRR-NZSAHSFTSA-N 1 3 318.505 4.420 20 0 DIADHO CN(C)CC1(C[N@@H+]2CCC[C@@H]2c2ccccc2F)CCCC1 ZINC001208192703 1049983438 /nfs/dbraw/zinc/98/34/38/1049983438.db2.gz XHYBVVINVIVLFN-GOSISDBHSA-N 1 3 304.453 4.085 20 0 DIADHO CN(C)CC1(C[N@H+]2CCC[C@@H]2c2ccccc2F)CCCC1 ZINC001208192703 1049983440 /nfs/dbraw/zinc/98/34/40/1049983440.db2.gz XHYBVVINVIVLFN-GOSISDBHSA-N 1 3 304.453 4.085 20 0 DIADHO CC1(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)CCCCC1 ZINC001208896669 1050021007 /nfs/dbraw/zinc/02/10/07/1050021007.db2.gz OBQVCIVPGYGTOY-UHFFFAOYSA-N 1 3 304.522 4.297 20 0 DIADHO CC1(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)CCCCC1 ZINC001208896669 1050021013 /nfs/dbraw/zinc/02/10/13/1050021013.db2.gz OBQVCIVPGYGTOY-UHFFFAOYSA-N 1 3 304.522 4.297 20 0 DIADHO Clc1ccc([C@H]2CCN(C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168387799 1050023746 /nfs/dbraw/zinc/02/37/46/1050023746.db2.gz UUXBEQWASBAUGB-KRWDZBQOSA-N 1 3 318.892 4.004 20 0 DIADHO C[C@H]1CN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208940341 1050028419 /nfs/dbraw/zinc/02/84/19/1050028419.db2.gz BOEMXHYJNKKXSU-ICSRJNTNSA-N 1 3 320.480 4.128 20 0 DIADHO C[C@H]1CN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208940341 1050028423 /nfs/dbraw/zinc/02/84/23/1050028423.db2.gz BOEMXHYJNKKXSU-ICSRJNTNSA-N 1 3 320.480 4.128 20 0 DIADHO Clc1ccccc1[C@H]1CC[N@@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168391818 1050042223 /nfs/dbraw/zinc/04/22/23/1050042223.db2.gz OKQJTRPNJLSGOT-INIZCTEOSA-N 1 3 318.892 4.004 20 0 DIADHO Clc1ccccc1[C@H]1CC[N@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168391818 1050042227 /nfs/dbraw/zinc/04/22/27/1050042227.db2.gz OKQJTRPNJLSGOT-INIZCTEOSA-N 1 3 318.892 4.004 20 0 DIADHO CC[N@H+](CCCN(C)C)Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC001143812571 1050373972 /nfs/dbraw/zinc/37/39/72/1050373972.db2.gz VWULGZDZWMOFAC-UHFFFAOYSA-N 1 3 322.802 4.132 20 0 DIADHO CC[N@@H+](CCCN(C)C)Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC001143812571 1050373986 /nfs/dbraw/zinc/37/39/86/1050373986.db2.gz VWULGZDZWMOFAC-UHFFFAOYSA-N 1 3 322.802 4.132 20 0 DIADHO CCN(CC)CCC[NH2+][C@@](C)(Cc1ccccc1)c1ccccc1 ZINC001171157767 1050536070 /nfs/dbraw/zinc/53/60/70/1050536070.db2.gz YSMCBBNVJMAIFD-QFIPXVFZSA-N 1 3 324.512 4.466 20 0 DIADHO Cc1nc2ccc(Nc3cccc(C[NH+]4CCCC4)c3)cc2[nH]1 ZINC001213074254 1050578872 /nfs/dbraw/zinc/57/88/72/1050578872.db2.gz LVILOAGVIIYTQR-UHFFFAOYSA-N 1 3 306.413 4.211 20 0 DIADHO CC[N@@H+](C/C=C/Cl)CCCC1CCN(C/C=C/Cl)CC1 ZINC000766284750 1050918162 /nfs/dbraw/zinc/91/81/62/1050918162.db2.gz SKLNZGFTXVLOER-LUZURFALSA-N 1 3 319.320 4.306 20 0 DIADHO CC[N@H+](C/C=C/Cl)CCCC1CCN(C/C=C/Cl)CC1 ZINC000766284750 1050918174 /nfs/dbraw/zinc/91/81/74/1050918174.db2.gz SKLNZGFTXVLOER-LUZURFALSA-N 1 3 319.320 4.306 20 0 DIADHO C[NH+]1C(C)(C)CC(N[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1(C)C ZINC001171628585 1051173151 /nfs/dbraw/zinc/17/31/51/1051173151.db2.gz BPBIRECOCFTMQJ-SJORKVTESA-N 1 3 320.908 4.437 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1(C)C ZINC001171628585 1051173155 /nfs/dbraw/zinc/17/31/55/1051173155.db2.gz BPBIRECOCFTMQJ-SJORKVTESA-N 1 3 320.908 4.437 20 0 DIADHO C[C@@H]1C[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)Cc2ccccc21 ZINC001171631611 1051174533 /nfs/dbraw/zinc/17/45/33/1051174533.db2.gz KZJQKUGMLFWAJH-OAHLLOKOSA-N 1 3 300.490 4.257 20 0 DIADHO C[C@@H]1C[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)Cc2ccccc21 ZINC001171631611 1051174538 /nfs/dbraw/zinc/17/45/38/1051174538.db2.gz KZJQKUGMLFWAJH-OAHLLOKOSA-N 1 3 300.490 4.257 20 0 DIADHO CN1C(C)(C)CC([N@@H+]2CC[C@H](c3ccccc3)C2)CC1(C)C ZINC001171631185 1051175374 /nfs/dbraw/zinc/17/53/74/1051175374.db2.gz GCVLNLJUZUGMSJ-KRWDZBQOSA-N 1 3 300.490 4.127 20 0 DIADHO CN1C(C)(C)CC([N@H+]2CC[C@H](c3ccccc3)C2)CC1(C)C ZINC001171631185 1051175383 /nfs/dbraw/zinc/17/53/83/1051175383.db2.gz GCVLNLJUZUGMSJ-KRWDZBQOSA-N 1 3 300.490 4.127 20 0 DIADHO Cc1ccc2c(c1)C[N@H+](C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001171631893 1051175732 /nfs/dbraw/zinc/17/57/32/1051175732.db2.gz PASSHGFMPKWICW-UHFFFAOYSA-N 1 3 300.490 4.005 20 0 DIADHO Cc1ccc2c(c1)C[N@@H+](C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001171631893 1051175737 /nfs/dbraw/zinc/17/57/37/1051175737.db2.gz PASSHGFMPKWICW-UHFFFAOYSA-N 1 3 300.490 4.005 20 0 DIADHO Cc1ccc2c(c1)CN(C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001171631893 1051175744 /nfs/dbraw/zinc/17/57/44/1051175744.db2.gz PASSHGFMPKWICW-UHFFFAOYSA-N 1 3 300.490 4.005 20 0 DIADHO C[NH+]1C(C)(C)CC(NCCc2ccccc2Cl)CC1(C)C ZINC001171613631 1051176569 /nfs/dbraw/zinc/17/65/69/1051176569.db2.gz NCRQYWPSYGUHHR-UHFFFAOYSA-N 1 3 308.897 4.124 20 0 DIADHO C[C@H](CCc1ccccc1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171617043 1051177550 /nfs/dbraw/zinc/17/75/50/1051177550.db2.gz FGCDYPCDUDNBOS-MRXNPFEDSA-N 1 3 302.506 4.249 20 0 DIADHO CC[C@@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)c1ccc(OC)cc1 ZINC001171624301 1051179339 /nfs/dbraw/zinc/17/93/39/1051179339.db2.gz OVHUXMFCEDXXHI-GOSISDBHSA-N 1 3 318.505 4.387 20 0 DIADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171623074 1051179397 /nfs/dbraw/zinc/17/93/97/1051179397.db2.gz JOPVMEHMGUGLOG-SFHVURJKSA-N 1 3 300.490 4.223 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@@H]2CC23CCC(F)(F)CC3)CC1(C)C ZINC001171626930 1051181493 /nfs/dbraw/zinc/18/14/93/1051181493.db2.gz HQHDDIOZEVXDGU-CQSZACIVSA-N 1 3 314.464 4.195 20 0 DIADHO CN1C(C)(C)CC([NH2+]C[C@@H]2CCc3ccccc3C2)CC1(C)C ZINC001171627638 1051181990 /nfs/dbraw/zinc/18/19/90/1051181990.db2.gz YZGQVCHXMSDPBA-MRXNPFEDSA-N 1 3 314.517 4.033 20 0 DIADHO CN1C(C)(C)CC([N@@H+]2CCSc3ccccc3C2)CC1(C)C ZINC001171640598 1051194119 /nfs/dbraw/zinc/19/41/19/1051194119.db2.gz HBIBRQODPDRJFQ-UHFFFAOYSA-N 1 3 318.530 4.246 20 0 DIADHO CN1C(C)(C)CC([N@H+]2CCSc3ccccc3C2)CC1(C)C ZINC001171640598 1051194123 /nfs/dbraw/zinc/19/41/23/1051194123.db2.gz HBIBRQODPDRJFQ-UHFFFAOYSA-N 1 3 318.530 4.246 20 0 DIADHO CN1C(C)(C)CC([N@@H+]2CC[C@H](Cc3ccccc3)C2)CC1(C)C ZINC001171638503 1051194929 /nfs/dbraw/zinc/19/49/29/1051194929.db2.gz ZQXNNTNREPHUOS-GOSISDBHSA-N 1 3 314.517 4.202 20 0 DIADHO CN1C(C)(C)CC([N@H+]2CC[C@H](Cc3ccccc3)C2)CC1(C)C ZINC001171638503 1051194936 /nfs/dbraw/zinc/19/49/36/1051194936.db2.gz ZQXNNTNREPHUOS-GOSISDBHSA-N 1 3 314.517 4.202 20 0 DIADHO CC[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC001172101631 1051279613 /nfs/dbraw/zinc/27/96/13/1051279613.db2.gz GOMWURPSWILHAD-FJIDUMEYSA-N 1 3 306.881 4.396 20 0 DIADHO CC[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001172101631 1051279623 /nfs/dbraw/zinc/27/96/23/1051279623.db2.gz GOMWURPSWILHAD-FJIDUMEYSA-N 1 3 306.881 4.396 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C2 ZINC001172101102 1051280600 /nfs/dbraw/zinc/28/06/00/1051280600.db2.gz WFKOUECUEDCOIK-MZADTFQBSA-N 1 3 320.480 4.381 20 0 DIADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC4(C2)CCCC4)C3)cc1 ZINC001172070122 1051287233 /nfs/dbraw/zinc/28/72/33/1051287233.db2.gz XBPJFDGRORFJHY-AERCQKQUSA-N 1 3 324.512 4.448 20 0 DIADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC4(C2)CCCC4)C3)cc1 ZINC001172070122 1051287248 /nfs/dbraw/zinc/28/72/48/1051287248.db2.gz XBPJFDGRORFJHY-AERCQKQUSA-N 1 3 324.512 4.448 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1c1c(F)cccc1F)C2 ZINC001172130994 1051293572 /nfs/dbraw/zinc/29/35/72/1051293572.db2.gz SRPUEHICLHWENW-LDDOYCOJSA-N 1 3 320.427 4.117 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1c1c(F)cccc1F)C2 ZINC001172130994 1051293586 /nfs/dbraw/zinc/29/35/86/1051293586.db2.gz SRPUEHICLHWENW-LDDOYCOJSA-N 1 3 320.427 4.117 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)C2 ZINC001172108722 1051302940 /nfs/dbraw/zinc/30/29/40/1051302940.db2.gz YMKLSWURPDRSCU-ZSOGYDGISA-N 1 3 313.272 4.098 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1c1cc(F)ccc1F)C2 ZINC001172124352 1051306546 /nfs/dbraw/zinc/30/65/46/1051306546.db2.gz KTNJFEUGUWBKEK-MKSNKDDYSA-N 1 3 320.427 4.117 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1c1cc(F)ccc1F)C2 ZINC001172124352 1051306558 /nfs/dbraw/zinc/30/65/58/1051306558.db2.gz KTNJFEUGUWBKEK-MKSNKDDYSA-N 1 3 320.427 4.117 20 0 DIADHO CCCCN1CCC([NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000193023427 1051370217 /nfs/dbraw/zinc/37/02/17/1051370217.db2.gz NBHAUCLGVDDBEK-KRWDZBQOSA-N 1 3 322.493 4.217 20 0 DIADHO C[C@@H]1CC[C@H]([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)C[C@@H]1C ZINC001172367383 1051378721 /nfs/dbraw/zinc/37/87/21/1051378721.db2.gz KQZIRGJHKKLKGN-RMJJICAUSA-N 1 3 304.522 4.221 20 0 DIADHO CC[C@@H](CC(C)C)[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001172394282 1051396537 /nfs/dbraw/zinc/39/65/37/1051396537.db2.gz QGPUOFPCXNVVCZ-IBGZPJMESA-N 1 3 320.496 4.452 20 0 DIADHO c1ccc([C@@H]2CC[C@@H]([NH+]3CCC(N4CCCCC4)CC3)C2)cc1 ZINC001172557220 1051438842 /nfs/dbraw/zinc/43/88/42/1051438842.db2.gz PJKYQIVTZJDROU-TZIWHRDSSA-N 1 3 312.501 4.273 20 0 DIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172535225 1051450391 /nfs/dbraw/zinc/45/03/91/1051450391.db2.gz FEQJBWHUDXIKOI-IYWMVGAKSA-N 1 3 300.490 4.175 20 0 DIADHO C1CCC2(C1)CCC(N1CCC([NH+]3CCCCC3)CC1)CC2 ZINC001172727783 1051488217 /nfs/dbraw/zinc/48/82/17/1051488217.db2.gz XKUHFCWFJGGKDI-UHFFFAOYSA-N 1 3 304.522 4.440 20 0 DIADHO C1CCC2(C1)CCC([NH+]1CCC(N3CCCCC3)CC1)CC2 ZINC001172727783 1051488220 /nfs/dbraw/zinc/48/82/20/1051488220.db2.gz XKUHFCWFJGGKDI-UHFFFAOYSA-N 1 3 304.522 4.440 20 0 DIADHO CC(C)C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC001169099576 1051509686 /nfs/dbraw/zinc/50/96/86/1051509686.db2.gz BTENAESUJNSTES-OKYOBFRVSA-N 1 3 304.453 4.128 20 0 DIADHO CC(C)C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001169099576 1051509699 /nfs/dbraw/zinc/50/96/99/1051509699.db2.gz BTENAESUJNSTES-OKYOBFRVSA-N 1 3 304.453 4.128 20 0 DIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](c1ccc(Cl)cc1)C1CC1)C2 ZINC001169100674 1051511507 /nfs/dbraw/zinc/51/15/07/1051511507.db2.gz LFEXHVNDQYHAII-MHORFTMASA-N 1 3 304.865 4.006 20 0 DIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](c1ccc(Cl)cc1)C1CC1)C2 ZINC001169100674 1051511522 /nfs/dbraw/zinc/51/15/22/1051511522.db2.gz LFEXHVNDQYHAII-MHORFTMASA-N 1 3 304.865 4.006 20 0 DIADHO C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)c1cc(Cl)cc(Cl)c1 ZINC001169101484 1051511703 /nfs/dbraw/zinc/51/17/03/1051511703.db2.gz SQAPFDRKIXSPSS-LTTZEQNMSA-N 1 3 313.272 4.269 20 0 DIADHO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)c1cc(Cl)cc(Cl)c1 ZINC001169101483 1051512137 /nfs/dbraw/zinc/51/21/37/1051512137.db2.gz SQAPFDRKIXSPSS-KCXZSRPNSA-N 1 3 313.272 4.269 20 0 DIADHO C[C@H](Cc1cccc(F)c1)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001168456907 1051592309 /nfs/dbraw/zinc/59/23/09/1051592309.db2.gz ZIFDGJQIWYXCKE-OXQOHEQNSA-N 1 3 314.448 4.039 20 0 DIADHO CC[NH+](CC)C1CCC(N2CCc3cc(Cl)ccc3C2)CC1 ZINC001173114569 1051611894 /nfs/dbraw/zinc/61/18/94/1051611894.db2.gz PNUMWDPDNPODLX-UHFFFAOYSA-N 1 3 320.908 4.351 20 0 DIADHO CCCN1C[C@@H]2C[N@H+](C3CCC4(CCCCC4)CC3)C[C@@H]2C1 ZINC001173120505 1051615958 /nfs/dbraw/zinc/61/59/58/1051615958.db2.gz FULGCHNCSVCFPM-HDICACEKSA-N 1 3 304.522 4.153 20 0 DIADHO CCCN1C[C@@H]2C[N@@H+](C3CCC4(CCCCC4)CC3)C[C@@H]2C1 ZINC001173120505 1051615964 /nfs/dbraw/zinc/61/59/64/1051615964.db2.gz FULGCHNCSVCFPM-HDICACEKSA-N 1 3 304.522 4.153 20 0 DIADHO CCCCN(C)CCC[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173198265 1051628608 /nfs/dbraw/zinc/62/86/08/1051628608.db2.gz RLPRHVIBZSQAIA-UHFFFAOYSA-N 1 3 318.505 4.088 20 0 DIADHO Cc1ccc(CN2CCC[C@@H](C[NH3+])[C@H](C)C2)c(Cl)c1Cl ZINC001206013100 1051650525 /nfs/dbraw/zinc/65/05/25/1051650525.db2.gz PFCBTCANWFVLAZ-OLZOCXBDSA-N 1 3 315.288 4.109 20 0 DIADHO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183192234 1051712254 /nfs/dbraw/zinc/71/22/54/1051712254.db2.gz KXZSJJQURGJYMZ-WSTZPKSXSA-N 1 3 314.517 4.250 20 0 DIADHO Cc1cc(CN2CCC[C@@H](C[NH3+])[C@H](C)C2)c(Cl)cc1Cl ZINC001206023588 1051717095 /nfs/dbraw/zinc/71/70/95/1051717095.db2.gz FXSNOVFMDBXDSR-OLZOCXBDSA-N 1 3 315.288 4.109 20 0 DIADHO CCCN(C)C[C@@H]1CC[N@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000185518496 1051772372 /nfs/dbraw/zinc/77/23/72/1051772372.db2.gz GEZCNUWEERLILB-PCKAHOCUSA-N 1 3 320.443 4.019 20 0 DIADHO CCCN(C)C[C@@H]1CC[N@@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000185518496 1051772375 /nfs/dbraw/zinc/77/23/75/1051772375.db2.gz GEZCNUWEERLILB-PCKAHOCUSA-N 1 3 320.443 4.019 20 0 DIADHO Cc1ccc(SC[C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000186473392 1051818797 /nfs/dbraw/zinc/81/87/97/1051818797.db2.gz NXPLEYCPCRMQDO-MRXNPFEDSA-N 1 3 320.546 4.328 20 0 DIADHO Cc1ccc(SC[C@@H](C)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000186473392 1051818808 /nfs/dbraw/zinc/81/88/08/1051818808.db2.gz NXPLEYCPCRMQDO-MRXNPFEDSA-N 1 3 320.546 4.328 20 0 DIADHO Cc1ccccc1[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000494890126 1052158366 /nfs/dbraw/zinc/15/83/66/1052158366.db2.gz MMMAJBWEHMOVGD-SVFBPWRDSA-N 1 3 312.501 4.443 20 0 DIADHO Cc1ccccc1[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000494890126 1052158369 /nfs/dbraw/zinc/15/83/69/1052158369.db2.gz MMMAJBWEHMOVGD-SVFBPWRDSA-N 1 3 312.501 4.443 20 0 DIADHO CC1(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCC1 ZINC000309787667 1052246056 /nfs/dbraw/zinc/24/60/56/1052246056.db2.gz NQUKNBZGESCIAN-IBGZPJMESA-N 1 3 300.490 4.069 20 0 DIADHO C[C@H](Cc1cccc(F)c1)[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001168492429 1052407212 /nfs/dbraw/zinc/40/72/12/1052407212.db2.gz RLPPFISNMUMMIE-XLIONFOSSA-N 1 3 318.480 4.097 20 0 DIADHO C[C@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001168492429 1052407214 /nfs/dbraw/zinc/40/72/14/1052407214.db2.gz RLPPFISNMUMMIE-XLIONFOSSA-N 1 3 318.480 4.097 20 0 DIADHO CC(C)[NH+]1CCC(N[C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000236606291 1052427061 /nfs/dbraw/zinc/42/70/61/1052427061.db2.gz UTGXBCCQIXCTDV-IBGZPJMESA-N 1 3 300.490 4.262 20 0 DIADHO CC(C)c1ccc(C[C@H](C)C[N@@H+]2CC[C@]3(C2)CCCNC3)cc1 ZINC001222141083 1052449410 /nfs/dbraw/zinc/44/94/10/1052449410.db2.gz DPGIIWDYFCBUIJ-GHTZIAJQSA-N 1 3 314.517 4.064 20 0 DIADHO CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@]3(C2)CCCNC3)cc1 ZINC001222141083 1052449412 /nfs/dbraw/zinc/44/94/12/1052449412.db2.gz DPGIIWDYFCBUIJ-GHTZIAJQSA-N 1 3 314.517 4.064 20 0 DIADHO c1ccc2c(c1)oc1c2cccc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222149262 1052450281 /nfs/dbraw/zinc/45/02/81/1052450281.db2.gz WQJJTWJITOHMSX-OAQYLSRUSA-N 1 3 320.436 4.162 20 0 DIADHO CCc1ccc(CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)s1 ZINC001222166912 1052454950 /nfs/dbraw/zinc/45/49/50/1052454950.db2.gz FXHMJTBNPUIKKI-GOSISDBHSA-N 1 3 306.519 4.056 20 0 DIADHO C[C@@H](C[N@@H+]1CCC[C@@]12CCCNC2)c1cccc2ccccc21 ZINC001222231621 1052464939 /nfs/dbraw/zinc/46/49/39/1052464939.db2.gz OJYMUIRFRWGWPX-LAUBAEHRSA-N 1 3 308.469 4.161 20 0 DIADHO C[C@@H](C[N@H+]1CCC[C@@]12CCCNC2)c1cccc2ccccc21 ZINC001222231621 1052464944 /nfs/dbraw/zinc/46/49/44/1052464944.db2.gz OJYMUIRFRWGWPX-LAUBAEHRSA-N 1 3 308.469 4.161 20 0 DIADHO c1ccc(-c2ccccc2CN2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001222272636 1052471671 /nfs/dbraw/zinc/47/16/71/1052471671.db2.gz XVNCEQVFDNDGGF-QFIPXVFZSA-N 1 3 320.480 4.319 20 0 DIADHO CC(C)(C)C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000316903641 1052475522 /nfs/dbraw/zinc/47/55/22/1052475522.db2.gz ZOKBDVPKPMOWCV-FHWLQOOXSA-N 1 3 300.490 4.380 20 0 DIADHO CC(C)(C)C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000316903641 1052475523 /nfs/dbraw/zinc/47/55/23/1052475523.db2.gz ZOKBDVPKPMOWCV-FHWLQOOXSA-N 1 3 300.490 4.380 20 0 DIADHO CCC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000322368323 1052485253 /nfs/dbraw/zinc/48/52/53/1052485253.db2.gz DBSVDGREGLVYQR-HQSKLWIPSA-N 1 3 306.881 4.396 20 0 DIADHO CCC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000322368323 1052485257 /nfs/dbraw/zinc/48/52/57/1052485257.db2.gz DBSVDGREGLVYQR-HQSKLWIPSA-N 1 3 306.881 4.396 20 0 DIADHO C[C@H](CN[C@H](C)c1cc2ccccc2s1)C[NH+]1CCCC1 ZINC000126555716 1052671446 /nfs/dbraw/zinc/67/14/46/1052671446.db2.gz YNIBEUNRQYJPOT-HUUCEWRRSA-N 1 3 302.487 4.284 20 0 DIADHO Cc1ccsc1[C@@H](C)NCCC[N@H+](C)Cc1ccccc1 ZINC000070089656 1052814601 /nfs/dbraw/zinc/81/46/01/1052814601.db2.gz BMUXWOBBGQWQPC-MRXNPFEDSA-N 1 3 302.487 4.229 20 0 DIADHO Cc1ccsc1[C@@H](C)NCCC[N@@H+](C)Cc1ccccc1 ZINC000070089656 1052814604 /nfs/dbraw/zinc/81/46/04/1052814604.db2.gz BMUXWOBBGQWQPC-MRXNPFEDSA-N 1 3 302.487 4.229 20 0 DIADHO c1ccc([C@@H](C[NH2+]C2CCN(C3CCCC3)CC2)C2CC2)cc1 ZINC000556214675 1052822020 /nfs/dbraw/zinc/82/20/20/1052822020.db2.gz WCCUZBNIFLHNRQ-OAQYLSRUSA-N 1 3 312.501 4.177 20 0 DIADHO CCN1CCC[C@@H](C[NH2+]Cc2cccc(Oc3ccccc3)c2)C1 ZINC001321650534 1053426511 /nfs/dbraw/zinc/42/65/11/1053426511.db2.gz MIDKHRNHHZIWIC-IBGZPJMESA-N 1 3 324.468 4.300 20 0 DIADHO [NH3+]C[C@@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1 ZINC000324548927 1053464886 /nfs/dbraw/zinc/46/48/86/1053464886.db2.gz PJOSCCVPUZYHLL-SFHVURJKSA-N 1 3 310.441 4.040 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+]Cc2ccc(C(C)(C)C)s2)C1 ZINC001200243471 1053494257 /nfs/dbraw/zinc/49/42/57/1053494257.db2.gz IOWCIBFMLWTPQA-HNNXBMFYSA-N 1 3 308.535 4.256 20 0 DIADHO CCN(CCC[NH+](C)C)Cc1ccccc1-c1ccc(F)cc1 ZINC001231825238 1053878806 /nfs/dbraw/zinc/87/88/06/1053878806.db2.gz RPITUWSSBLEMIB-UHFFFAOYSA-N 1 3 314.448 4.266 20 0 DIADHO CC(C)Sc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000158195029 1053893535 /nfs/dbraw/zinc/89/35/35/1053893535.db2.gz IFDGEIBFGBIVMD-CVEARBPZSA-N 1 3 306.519 4.180 20 0 DIADHO CC(C)Sc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158195029 1053893544 /nfs/dbraw/zinc/89/35/44/1053893544.db2.gz IFDGEIBFGBIVMD-CVEARBPZSA-N 1 3 306.519 4.180 20 0 DIADHO CC[C@H](c1ccccc1)[N@H+](C)Cc1cc(F)cc(CN(C)C)c1 ZINC001232145933 1053972235 /nfs/dbraw/zinc/97/22/35/1053972235.db2.gz FNVBTFDQQCMPTH-HXUWFJFHSA-N 1 3 314.448 4.470 20 0 DIADHO CC[C@H](c1ccccc1)[N@@H+](C)Cc1cc(F)cc(CN(C)C)c1 ZINC001232145933 1053972242 /nfs/dbraw/zinc/97/22/42/1053972242.db2.gz FNVBTFDQQCMPTH-HXUWFJFHSA-N 1 3 314.448 4.470 20 0 DIADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC001232145949 1053972499 /nfs/dbraw/zinc/97/24/99/1053972499.db2.gz FUDZWBFZOAZHEQ-HKUYNNGSSA-N 1 3 304.453 4.042 20 0 DIADHO CN(C)Cc1cc(F)cc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC001232145949 1053972514 /nfs/dbraw/zinc/97/25/14/1053972514.db2.gz FUDZWBFZOAZHEQ-HKUYNNGSSA-N 1 3 304.453 4.042 20 0 DIADHO CCc1ccc(CN(C)Cc2cc(F)cc(C[NH+](C)C)c2)cc1 ZINC001232146055 1053972549 /nfs/dbraw/zinc/97/25/49/1053972549.db2.gz HMBIQWVIDBTEJU-UHFFFAOYSA-N 1 3 314.448 4.082 20 0 DIADHO CN(C)Cc1cc(F)cc(C[N@H+](C)[C@H]2CCc3ccccc32)c1 ZINC001232151547 1053973538 /nfs/dbraw/zinc/97/35/38/1053973538.db2.gz OPSKPPDUDQLDNJ-FQEVSTJZSA-N 1 3 312.432 4.007 20 0 DIADHO CN(C)Cc1cc(F)cc(C[N@@H+](C)[C@H]2CCc3ccccc32)c1 ZINC001232151547 1053973550 /nfs/dbraw/zinc/97/35/50/1053973550.db2.gz OPSKPPDUDQLDNJ-FQEVSTJZSA-N 1 3 312.432 4.007 20 0 DIADHO CC(C)(CNC1CC[NH+](C2CCCCC2)CC1)c1cccs1 ZINC000169176110 1054287944 /nfs/dbraw/zinc/28/79/44/1054287944.db2.gz ZHGTWAXTGOATPQ-UHFFFAOYSA-N 1 3 320.546 4.412 20 0 DIADHO Cc1cc(C[N@@H+]2CCCC[C@@H]2CCN2CCCC2)sc1C ZINC001233685970 1054331487 /nfs/dbraw/zinc/33/14/87/1054331487.db2.gz UKIOTGNKIFPMDA-QGZVFWFLSA-N 1 3 306.519 4.205 20 0 DIADHO Cc1cc(C[N@H+]2CCCC[C@@H]2CCN2CCCC2)sc1C ZINC001233685970 1054331498 /nfs/dbraw/zinc/33/14/98/1054331498.db2.gz UKIOTGNKIFPMDA-QGZVFWFLSA-N 1 3 306.519 4.205 20 0 DIADHO CC(C)c1cccc(NC(=[NH2+])NCCN(C)C2CCCCC2)c1 ZINC000849058044 1054366861 /nfs/dbraw/zinc/36/68/61/1054366861.db2.gz CUIYHUWDJAFYMI-UHFFFAOYSA-N 1 3 316.493 4.011 20 0 DIADHO CC[N@@H+]1CCC[C@H](CN[C@@H](C)c2cc3ccccc3s2)C1 ZINC001343272326 1054441572 /nfs/dbraw/zinc/44/15/72/1054441572.db2.gz HLUOVVWWXPLVPG-LSDHHAIUSA-N 1 3 302.487 4.284 20 0 DIADHO CC[N@H+]1CCC[C@H](CN[C@@H](C)c2cc3ccccc3s2)C1 ZINC001343272326 1054441577 /nfs/dbraw/zinc/44/15/77/1054441577.db2.gz HLUOVVWWXPLVPG-LSDHHAIUSA-N 1 3 302.487 4.284 20 0 DIADHO C[C@H](CN1CCC[C@@]2(CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC001234992140 1054638718 /nfs/dbraw/zinc/63/87/18/1054638718.db2.gz JBHGDWFPDCLKKZ-UTKZUKDTSA-N 1 3 308.469 4.019 20 0 DIADHO C(=C/c1ccc(CN2CC3(C2)CC[NH2+]CC3)cc1)\c1ccccc1 ZINC001235088201 1054654378 /nfs/dbraw/zinc/65/43/78/1054654378.db2.gz DJFYRLCKEBTMLX-VOTSOKGWSA-N 1 3 318.464 4.042 20 0 DIADHO c1ccc(CCCCC[N@@H+]2CCCC[C@@]23CCCNC3)cc1 ZINC001235169422 1054670747 /nfs/dbraw/zinc/67/07/47/1054670747.db2.gz AQJFYJJVCVQZGO-FQEVSTJZSA-N 1 3 300.490 4.008 20 0 DIADHO c1ccc(CCCCC[N@H+]2CCCC[C@@]23CCCNC3)cc1 ZINC001235169422 1054670749 /nfs/dbraw/zinc/67/07/49/1054670749.db2.gz AQJFYJJVCVQZGO-FQEVSTJZSA-N 1 3 300.490 4.008 20 0 DIADHO CCCCc1ccc(C[N@@H+]2CCCCC23CCNCC3)cc1 ZINC001235189990 1054682294 /nfs/dbraw/zinc/68/22/94/1054682294.db2.gz RHQPEBZXVAUSOF-UHFFFAOYSA-N 1 3 300.490 4.137 20 0 DIADHO CCCCc1ccc(C[N@H+]2CCCCC23CCNCC3)cc1 ZINC001235189990 1054682296 /nfs/dbraw/zinc/68/22/96/1054682296.db2.gz RHQPEBZXVAUSOF-UHFFFAOYSA-N 1 3 300.490 4.137 20 0 DIADHO CCCCc1ccc(CN2CCCCC23CC[NH2+]CC3)cc1 ZINC001235189990 1054682302 /nfs/dbraw/zinc/68/23/02/1054682302.db2.gz RHQPEBZXVAUSOF-UHFFFAOYSA-N 1 3 300.490 4.137 20 0 DIADHO CN(Cc1cccc(C[NH3+])c1)Cc1ccc(Cl)c(Cl)c1 ZINC001235440290 1054723569 /nfs/dbraw/zinc/72/35/69/1054723569.db2.gz FDJMZWBABOEXMW-UHFFFAOYSA-N 1 3 309.240 4.084 20 0 DIADHO CN(CCC[NH3+])Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC001235435330 1054723618 /nfs/dbraw/zinc/72/36/18/1054723618.db2.gz KALGYTDOYXBDJO-UHFFFAOYSA-N 1 3 322.374 4.153 20 0 DIADHO CCN(Cc1ccccc1CCc1ccccc1)C1CC[NH2+]CC1 ZINC001235764483 1054801035 /nfs/dbraw/zinc/80/10/35/1054801035.db2.gz GLZQWFLGJWUFEV-UHFFFAOYSA-N 1 3 322.496 4.046 20 0 DIADHO CC[N@H+](Cc1ccccc1CCc1ccccc1)C1CCNCC1 ZINC001235764483 1054801042 /nfs/dbraw/zinc/80/10/42/1054801042.db2.gz GLZQWFLGJWUFEV-UHFFFAOYSA-N 1 3 322.496 4.046 20 0 DIADHO CC[N@@H+](Cc1ccccc1CCc1ccccc1)C1CCNCC1 ZINC001235764483 1054801046 /nfs/dbraw/zinc/80/10/46/1054801046.db2.gz GLZQWFLGJWUFEV-UHFFFAOYSA-N 1 3 322.496 4.046 20 0 DIADHO CC(C)(C)c1cc(CN2CC3(CC([NH3+])C3)C2)cc(C(C)(C)C)c1 ZINC001235819762 1054813194 /nfs/dbraw/zinc/81/31/94/1054813194.db2.gz HYXNZYFHRTYJNF-UHFFFAOYSA-N 1 3 314.517 4.205 20 0 DIADHO c1ccc2c(c1)sc1ccc(CN3C[C@H]4CC[NH2+]C[C@H]4C3)cc12 ZINC001235940330 1054858691 /nfs/dbraw/zinc/85/86/91/1054858691.db2.gz SJOQTZHQCWGDEL-CVEARBPZSA-N 1 3 322.477 4.096 20 0 DIADHO c1ccc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CNC4)CC2)cc1 ZINC001235958956 1054869096 /nfs/dbraw/zinc/86/90/96/1054869096.db2.gz CRGLXNLAFPUBAJ-LJQANCHMSA-N 1 3 306.453 4.060 20 0 DIADHO c1ccc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CNC4)CC2)cc1 ZINC001235958956 1054869103 /nfs/dbraw/zinc/86/91/03/1054869103.db2.gz CRGLXNLAFPUBAJ-LJQANCHMSA-N 1 3 306.453 4.060 20 0 DIADHO c1ccc([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CNC4)CC2)cc1 ZINC001235958955 1054870362 /nfs/dbraw/zinc/87/03/62/1054870362.db2.gz CRGLXNLAFPUBAJ-IBGZPJMESA-N 1 3 306.453 4.060 20 0 DIADHO c1ccc([C@H]2CCC[N@H+](Cc3ccc4c(c3)CNC4)CC2)cc1 ZINC001235958955 1054870369 /nfs/dbraw/zinc/87/03/69/1054870369.db2.gz CRGLXNLAFPUBAJ-IBGZPJMESA-N 1 3 306.453 4.060 20 0 DIADHO Cc1ccccc1-c1ccccc1CN(C)C[C@@H]1CCC[NH2+]C1 ZINC001235956299 1054870466 /nfs/dbraw/zinc/87/04/66/1054870466.db2.gz CCYBHYKLNMOPBC-GOSISDBHSA-N 1 3 308.469 4.093 20 0 DIADHO CN(CCCCC[NH3+])Cc1cc(F)ccc1Oc1ccccc1 ZINC001235961542 1054872122 /nfs/dbraw/zinc/87/21/22/1054872122.db2.gz BYXVTJNGXAWOHX-UHFFFAOYSA-N 1 3 316.420 4.179 20 0 DIADHO CN1CCCC[C@H](C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000624122489 1054883315 /nfs/dbraw/zinc/88/33/15/1054883315.db2.gz SGMUULPPBNPZMO-UZLBHIALSA-N 1 3 316.464 4.083 20 0 DIADHO C[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1cc2ccccc2s1 ZINC000624124067 1054884324 /nfs/dbraw/zinc/88/43/24/1054884324.db2.gz WJNXXURORCEKFN-GJZGRUSLSA-N 1 3 302.487 4.284 20 0 DIADHO C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cc2ccccc2s1 ZINC000624124067 1054884335 /nfs/dbraw/zinc/88/43/35/1054884335.db2.gz WJNXXURORCEKFN-GJZGRUSLSA-N 1 3 302.487 4.284 20 0 DIADHO CC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(Cl)s1 ZINC000624121465 1054885066 /nfs/dbraw/zinc/88/50/66/1054885066.db2.gz XFDVFHVHFNLPBZ-QWHCGFSZSA-N 1 3 300.899 4.174 20 0 DIADHO Fc1c(CN2CCCCC2)cccc1-c1ccc2c(c1)C[NH2+]CC2 ZINC001236012952 1054896499 /nfs/dbraw/zinc/89/64/99/1054896499.db2.gz VFUHREMKXNEGJJ-UHFFFAOYSA-N 1 3 324.443 4.124 20 0 DIADHO C[C@H]1C[C@@H](N)C[N@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001236046365 1054911457 /nfs/dbraw/zinc/91/14/57/1054911457.db2.gz GBBOMCHLAFRART-DZGCQCFKSA-N 1 3 310.466 4.224 20 0 DIADHO C[C@H]1C[C@@H](N)C[N@@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001236046365 1054911468 /nfs/dbraw/zinc/91/14/68/1054911468.db2.gz GBBOMCHLAFRART-DZGCQCFKSA-N 1 3 310.466 4.224 20 0 DIADHO [NH3+]Cc1ccc(CN2CCC(c3ccccc3Cl)CC2)cc1 ZINC001236071828 1054925713 /nfs/dbraw/zinc/92/57/13/1054925713.db2.gz JWZGEZKHHGWWEU-UHFFFAOYSA-N 1 3 314.860 4.178 20 0 DIADHO CN(CCC(c1ccccc1)c1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC001236093138 1054940343 /nfs/dbraw/zinc/94/03/43/1054940343.db2.gz RBLIZQRLCSIYSJ-LJQANCHMSA-N 1 3 322.496 4.140 20 0 DIADHO C[N@H+](CCC(c1ccccc1)c1ccccc1)C[C@@H]1CCCNC1 ZINC001236093138 1054940362 /nfs/dbraw/zinc/94/03/62/1054940362.db2.gz RBLIZQRLCSIYSJ-LJQANCHMSA-N 1 3 322.496 4.140 20 0 DIADHO C[N@@H+](CCC(c1ccccc1)c1ccccc1)C[C@@H]1CCCNC1 ZINC001236093138 1054940378 /nfs/dbraw/zinc/94/03/78/1054940378.db2.gz RBLIZQRLCSIYSJ-LJQANCHMSA-N 1 3 322.496 4.140 20 0 DIADHO c1[nH]c2ccccc2c1[C@H]1CCCN1CCC[NH+]1CCCCC1 ZINC001236195246 1054992807 /nfs/dbraw/zinc/99/28/07/1054992807.db2.gz YXKMCAYWMMMCAF-HXUWFJFHSA-N 1 3 311.473 4.181 20 0 DIADHO c1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1Cc1ccc2c(c1)CNC2 ZINC001236196414 1054995555 /nfs/dbraw/zinc/99/55/55/1054995555.db2.gz ZLPULBVHZCKTOY-OAQYLSRUSA-N 1 3 317.436 4.108 20 0 DIADHO c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CNC2 ZINC001236196414 1054995559 /nfs/dbraw/zinc/99/55/59/1054995559.db2.gz ZLPULBVHZCKTOY-OAQYLSRUSA-N 1 3 317.436 4.108 20 0 DIADHO Cn1c2ccccc2c2cc(C[N@H+](C)[C@H]3CCCC[C@@H]3N)ccc21 ZINC001236219201 1055007943 /nfs/dbraw/zinc/00/79/43/1055007943.db2.gz VQCGSDUNJHUGOA-RXVVDRJESA-N 1 3 321.468 4.033 20 0 DIADHO Cn1c2ccccc2c2cc(C[N@@H+](C)[C@H]3CCCC[C@@H]3N)ccc21 ZINC001236219201 1055007956 /nfs/dbraw/zinc/00/79/56/1055007956.db2.gz VQCGSDUNJHUGOA-RXVVDRJESA-N 1 3 321.468 4.033 20 0 DIADHO C[N@H+](Cc1cccc2c3ccccc3oc21)[C@H]1CCCC[C@@H]1N ZINC001236218770 1055010376 /nfs/dbraw/zinc/01/03/76/1055010376.db2.gz UBMUKUBMDRLYAO-ROUUACIJSA-N 1 3 308.425 4.288 20 0 DIADHO C[N@@H+](Cc1cccc2c3ccccc3oc21)[C@H]1CCCC[C@@H]1N ZINC001236218770 1055010391 /nfs/dbraw/zinc/01/03/91/1055010391.db2.gz UBMUKUBMDRLYAO-ROUUACIJSA-N 1 3 308.425 4.288 20 0 DIADHO C[N@H+](Cc1cccc(-c2ccc(F)cc2)c1)C1(C)CCNCC1 ZINC001236227078 1055016246 /nfs/dbraw/zinc/01/62/46/1055016246.db2.gz ZEAHKCOARUXKPB-UHFFFAOYSA-N 1 3 312.432 4.067 20 0 DIADHO C[N@@H+](Cc1cccc(-c2ccc(F)cc2)c1)C1(C)CCNCC1 ZINC001236227078 1055016255 /nfs/dbraw/zinc/01/62/55/1055016255.db2.gz ZEAHKCOARUXKPB-UHFFFAOYSA-N 1 3 312.432 4.067 20 0 DIADHO CN(Cc1cccc(-c2ccc(F)cc2)c1)C1(C)CC[NH2+]CC1 ZINC001236227078 1055016261 /nfs/dbraw/zinc/01/62/61/1055016261.db2.gz ZEAHKCOARUXKPB-UHFFFAOYSA-N 1 3 312.432 4.067 20 0 DIADHO Fc1cc(-c2cccc3c2C[NH2+]CC3)ccc1CN1CCCCC1 ZINC001236249842 1055033385 /nfs/dbraw/zinc/03/33/85/1055033385.db2.gz CYIPKLMGFGTEKL-UHFFFAOYSA-N 1 3 324.443 4.124 20 0 DIADHO Clc1cccc(CC[N@H+](C[C@@H]2CCCNC2)C2CCCC2)c1 ZINC001236373481 1055080712 /nfs/dbraw/zinc/08/07/12/1055080712.db2.gz XJRYYWSPJATHBA-QGZVFWFLSA-N 1 3 320.908 4.127 20 0 DIADHO Clc1cccc(CC[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)c1 ZINC001236373481 1055080723 /nfs/dbraw/zinc/08/07/23/1055080723.db2.gz XJRYYWSPJATHBA-QGZVFWFLSA-N 1 3 320.908 4.127 20 0 DIADHO CC(C)(C)c1ccc(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)[nH]1 ZINC001236374377 1055082121 /nfs/dbraw/zinc/08/21/21/1055082121.db2.gz PXWPNIQUTJPGMW-MRXNPFEDSA-N 1 3 317.521 4.056 20 0 DIADHO CC(C)(C)c1c[nH]c(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236374638 1055083700 /nfs/dbraw/zinc/08/37/00/1055083700.db2.gz FRMVHLZOXPOVBV-MRXNPFEDSA-N 1 3 317.521 4.056 20 0 DIADHO CC1(CN(Cc2cccc(F)c2)C2CC[NH2+]CC2)CCCCC1 ZINC001236402036 1055094363 /nfs/dbraw/zinc/09/43/63/1055094363.db2.gz UHMBWEPHETVTRL-UHFFFAOYSA-N 1 3 318.480 4.350 20 0 DIADHO CC1(C[N@H+](Cc2cccc(F)c2)C2CCNCC2)CCCCC1 ZINC001236402036 1055094373 /nfs/dbraw/zinc/09/43/73/1055094373.db2.gz UHMBWEPHETVTRL-UHFFFAOYSA-N 1 3 318.480 4.350 20 0 DIADHO CC1(C[N@@H+](Cc2cccc(F)c2)C2CCNCC2)CCCCC1 ZINC001236402036 1055094385 /nfs/dbraw/zinc/09/43/85/1055094385.db2.gz UHMBWEPHETVTRL-UHFFFAOYSA-N 1 3 318.480 4.350 20 0 DIADHO CCN(Cc1cccc(-c2c(C)cccc2C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236409494 1055100486 /nfs/dbraw/zinc/10/04/86/1055100486.db2.gz BDXUULRLODFLRT-HXUWFJFHSA-N 1 3 322.496 4.402 20 0 DIADHO CCCOc1ccc(C[N@H+](CC(C)(C)C)C2CCNCC2)cc1 ZINC001236456948 1055125051 /nfs/dbraw/zinc/12/50/51/1055125051.db2.gz IIRLIOOMZPBSJJ-UHFFFAOYSA-N 1 3 318.505 4.076 20 0 DIADHO CCCOc1ccc(C[N@@H+](CC(C)(C)C)C2CCNCC2)cc1 ZINC001236456948 1055125056 /nfs/dbraw/zinc/12/50/56/1055125056.db2.gz IIRLIOOMZPBSJJ-UHFFFAOYSA-N 1 3 318.505 4.076 20 0 DIADHO CCCOc1ccc(CN(CC(C)(C)C)C2CC[NH2+]CC2)cc1 ZINC001236456948 1055125063 /nfs/dbraw/zinc/12/50/63/1055125063.db2.gz IIRLIOOMZPBSJJ-UHFFFAOYSA-N 1 3 318.505 4.076 20 0 DIADHO CC(C)(C)C[N@H+](Cc1coc2ccccc12)C1CCNCC1 ZINC001236458548 1055126746 /nfs/dbraw/zinc/12/67/46/1055126746.db2.gz WOWVKTHFIDPNAW-UHFFFAOYSA-N 1 3 300.446 4.033 20 0 DIADHO CC(C)(C)C[N@@H+](Cc1coc2ccccc12)C1CCNCC1 ZINC001236458548 1055126763 /nfs/dbraw/zinc/12/67/63/1055126763.db2.gz WOWVKTHFIDPNAW-UHFFFAOYSA-N 1 3 300.446 4.033 20 0 DIADHO CC(C)(C)CN(Cc1coc2ccccc12)C1CC[NH2+]CC1 ZINC001236458548 1055126776 /nfs/dbraw/zinc/12/67/76/1055126776.db2.gz WOWVKTHFIDPNAW-UHFFFAOYSA-N 1 3 300.446 4.033 20 0 DIADHO Cc1c(Cl)cccc1C[N@H+](CC(C)(C)C)C1CCNCC1 ZINC001236459635 1055126906 /nfs/dbraw/zinc/12/69/06/1055126906.db2.gz WKTHHJRWEGHPKK-UHFFFAOYSA-N 1 3 308.897 4.249 20 0 DIADHO Cc1c(Cl)cccc1C[N@@H+](CC(C)(C)C)C1CCNCC1 ZINC001236459635 1055126913 /nfs/dbraw/zinc/12/69/13/1055126913.db2.gz WKTHHJRWEGHPKK-UHFFFAOYSA-N 1 3 308.897 4.249 20 0 DIADHO Cc1c(Cl)cccc1CN(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236459635 1055126926 /nfs/dbraw/zinc/12/69/26/1055126926.db2.gz WKTHHJRWEGHPKK-UHFFFAOYSA-N 1 3 308.897 4.249 20 0 DIADHO CCC[C@@H](C)C[N@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001236509126 1055152752 /nfs/dbraw/zinc/15/27/52/1055152752.db2.gz GWEJSKBZSGOBOL-OAHLLOKOSA-N 1 3 306.469 4.124 20 0 DIADHO CCC[C@@H](C)C[N@@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001236509126 1055152759 /nfs/dbraw/zinc/15/27/59/1055152759.db2.gz GWEJSKBZSGOBOL-OAHLLOKOSA-N 1 3 306.469 4.124 20 0 DIADHO CCC[C@@H](C)CN(Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236509126 1055152766 /nfs/dbraw/zinc/15/27/66/1055152766.db2.gz GWEJSKBZSGOBOL-OAHLLOKOSA-N 1 3 306.469 4.124 20 0 DIADHO Cc1cc(F)ccc1C[N@H+](C[C@H]1CC=CCC1)C1CCNCC1 ZINC001236518807 1055157991 /nfs/dbraw/zinc/15/79/91/1055157991.db2.gz YHLCRTCLWHUNHR-KRWDZBQOSA-N 1 3 316.464 4.044 20 0 DIADHO Cc1cc(F)ccc1C[N@@H+](C[C@H]1CC=CCC1)C1CCNCC1 ZINC001236518807 1055157994 /nfs/dbraw/zinc/15/79/94/1055157994.db2.gz YHLCRTCLWHUNHR-KRWDZBQOSA-N 1 3 316.464 4.044 20 0 DIADHO CC/C=C\CCC[N@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001236518394 1055158245 /nfs/dbraw/zinc/15/82/45/1055158245.db2.gz RXNFCAJNDYUIMI-PLNGDYQASA-N 1 3 318.480 4.435 20 0 DIADHO CC/C=C\CCC[N@@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001236518394 1055158250 /nfs/dbraw/zinc/15/82/50/1055158250.db2.gz RXNFCAJNDYUIMI-PLNGDYQASA-N 1 3 318.480 4.435 20 0 DIADHO CC/C=C\CCCN(Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001236518394 1055158258 /nfs/dbraw/zinc/15/82/58/1055158258.db2.gz RXNFCAJNDYUIMI-PLNGDYQASA-N 1 3 318.480 4.435 20 0 DIADHO Cc1cc([C@@H](C)NC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000381337299 1055164773 /nfs/dbraw/zinc/16/47/73/1055164773.db2.gz DGYFLEQMENZJEG-MRXNPFEDSA-N 1 3 314.498 4.372 20 0 DIADHO CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000381886824 1055189267 /nfs/dbraw/zinc/18/92/67/1055189267.db2.gz CAUCDGPDRONEDD-OALUTQOASA-N 1 3 300.490 4.067 20 0 DIADHO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000381982986 1055195487 /nfs/dbraw/zinc/19/54/87/1055195487.db2.gz NJURHLPIJIILJH-HOJAQTOUSA-N 1 3 300.490 4.067 20 0 DIADHO C[C@]1(C[NH3+])CCN(Cc2ccc(/C=C/c3ccccc3)cc2)C1 ZINC001236606006 1055203709 /nfs/dbraw/zinc/20/37/09/1055203709.db2.gz YKACNNWUDRRVAC-QQUYBBDPSA-N 1 3 306.453 4.028 20 0 DIADHO Cc1c(Cl)ccc(C[N@H+](C2CCC2)C2CCNCC2)c1C ZINC001236649462 1055211825 /nfs/dbraw/zinc/21/18/25/1055211825.db2.gz YENONGLCGHXNHD-UHFFFAOYSA-N 1 3 306.881 4.063 20 0 DIADHO Cc1c(Cl)ccc(C[N@@H+](C2CCC2)C2CCNCC2)c1C ZINC001236649462 1055211835 /nfs/dbraw/zinc/21/18/35/1055211835.db2.gz YENONGLCGHXNHD-UHFFFAOYSA-N 1 3 306.881 4.063 20 0 DIADHO Cc1c(Cl)ccc(CN(C2CCC2)C2CC[NH2+]CC2)c1C ZINC001236649462 1055211843 /nfs/dbraw/zinc/21/18/43/1055211843.db2.gz YENONGLCGHXNHD-UHFFFAOYSA-N 1 3 306.881 4.063 20 0 DIADHO CCC(CC)[N@H+](Cc1ccc([O-])cc1Cl)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236781807 1055259246 /nfs/dbraw/zinc/25/92/46/1055259246.db2.gz JIHJCBJLQPFYFP-KOMQPUFPSA-N 1 3 324.896 4.306 20 0 DIADHO CCC(CC)[N@@H+](Cc1ccc([O-])cc1Cl)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236781807 1055259253 /nfs/dbraw/zinc/25/92/53/1055259253.db2.gz JIHJCBJLQPFYFP-KOMQPUFPSA-N 1 3 324.896 4.306 20 0 DIADHO CCCCCCc1csc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC001236826993 1055280721 /nfs/dbraw/zinc/28/07/21/1055280721.db2.gz DNPXZOZCUDGQDQ-SZMVWBNQSA-N 1 3 306.519 4.040 20 0 DIADHO CCCN(Cc1sc2scc(C)c2c1C)C[C@H]1CC[NH2+]C1 ZINC001236843082 1055289016 /nfs/dbraw/zinc/28/90/16/1055289016.db2.gz KWYQUTVPEICSCS-AWEZNQCLSA-N 1 3 322.543 4.401 20 0 DIADHO C[C@@]1(C[NH3+])CCCN(Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001237059227 1055355242 /nfs/dbraw/zinc/35/52/42/1055355242.db2.gz RVTGXNFEAKDCOY-FQEVSTJZSA-N 1 3 312.432 4.054 20 0 DIADHO Cc1ccc(-c2ccc(CN3CCC[C@](C)(C[NH3+])C3)cc2)cc1 ZINC001237058646 1055355931 /nfs/dbraw/zinc/35/59/31/1055355931.db2.gz QREVDBLFNYLPIG-OAQYLSRUSA-N 1 3 308.469 4.223 20 0 DIADHO CCN1C[C@@H]2C[NH+](Cc3cccc(-c4ccccc4)c3C)C[C@H]2C1 ZINC001237587757 1055480733 /nfs/dbraw/zinc/48/07/33/1055480733.db2.gz IOWSGENLPAPPJB-NHCUHLMSSA-N 1 3 320.480 4.046 20 0 DIADHO CC(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC001620890687 1055514663 /nfs/dbraw/zinc/51/46/63/1055514663.db2.gz YAPLJWXNYGMIIB-QUCCMNQESA-N 1 3 306.538 4.445 20 0 DIADHO CC(C)c1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)CC2 ZINC001620910380 1055533112 /nfs/dbraw/zinc/53/31/12/1055533112.db2.gz PUKBMODOEPKXGT-IEBWSBKVSA-N 1 3 300.490 4.260 20 0 DIADHO CC(C)c1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)CC2 ZINC001620910380 1055533123 /nfs/dbraw/zinc/53/31/23/1055533123.db2.gz PUKBMODOEPKXGT-IEBWSBKVSA-N 1 3 300.490 4.260 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@@H+]3CCC4(CCCC4)C3)cc21 ZINC001237880077 1055546385 /nfs/dbraw/zinc/54/63/85/1055546385.db2.gz FAKCYORLHBXCLW-UHFFFAOYSA-N 1 3 310.485 4.454 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@H+]3CCC4(CCCC4)C3)cc21 ZINC001237880077 1055546391 /nfs/dbraw/zinc/54/63/91/1055546391.db2.gz FAKCYORLHBXCLW-UHFFFAOYSA-N 1 3 310.485 4.454 20 0 DIADHO CN1CC2(C1)CC[NH+](Cc1ccc(F)c(-c3ccccc3)c1)CC2 ZINC001238548105 1055683133 /nfs/dbraw/zinc/68/31/33/1055683133.db2.gz IUVHHGHZYLUJHI-UHFFFAOYSA-N 1 3 324.443 4.020 20 0 DIADHO CN(Cc1ccc(F)c(-c2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001238561050 1055687482 /nfs/dbraw/zinc/68/74/82/1055687482.db2.gz MILRBRCCWRSJBB-UHFFFAOYSA-N 1 3 312.432 4.019 20 0 DIADHO N[C@@H]1CC[N@H+](Cc2ccccc2-c2cccc3ccccc32)C1 ZINC001239472206 1055896940 /nfs/dbraw/zinc/89/69/40/1055896940.db2.gz XXEWPXYPSOOKKX-GOSISDBHSA-N 1 3 302.421 4.040 20 0 DIADHO N[C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc3ccccc32)C1 ZINC001239472206 1055896943 /nfs/dbraw/zinc/89/69/43/1055896943.db2.gz XXEWPXYPSOOKKX-GOSISDBHSA-N 1 3 302.421 4.040 20 0 DIADHO CCc1cccc(CNC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001621030280 1055992802 /nfs/dbraw/zinc/99/28/02/1055992802.db2.gz AITSXASXXYXHEG-AVRDEDQJSA-N 1 3 322.496 4.107 20 0 DIADHO CCc1cccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001621030280 1055992811 /nfs/dbraw/zinc/99/28/11/1055992811.db2.gz AITSXASXXYXHEG-AVRDEDQJSA-N 1 3 322.496 4.107 20 0 DIADHO C[N@@H+]1CCC[C@@H]1CCN[C@@H](CCc1ccccc1)c1ccccc1 ZINC001168605022 1056055950 /nfs/dbraw/zinc/05/59/50/1056055950.db2.gz VDYSAIFLBPJPOA-YADHBBJMSA-N 1 3 322.496 4.434 20 0 DIADHO C[N@H+]1CCC[C@@H]1CCN[C@@H](CCc1ccccc1)c1ccccc1 ZINC001168605022 1056055959 /nfs/dbraw/zinc/05/59/59/1056055959.db2.gz VDYSAIFLBPJPOA-YADHBBJMSA-N 1 3 322.496 4.434 20 0 DIADHO CN1CCC[C@@H]1CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC001168605022 1056055971 /nfs/dbraw/zinc/05/59/71/1056055971.db2.gz VDYSAIFLBPJPOA-YADHBBJMSA-N 1 3 322.496 4.434 20 0 DIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C3CCCC3)c2)C1 ZINC001620818836 1056100705 /nfs/dbraw/zinc/10/07/05/1056100705.db2.gz HCXDETZPHKAPBP-WOJBJXKFSA-N 1 3 300.490 4.307 20 0 DIADHO Clc1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC001616475953 1056663221 /nfs/dbraw/zinc/66/32/21/1056663221.db2.gz KGMZJNWDFQAOBY-UHFFFAOYSA-N 1 3 320.908 4.428 20 0 DIADHO FC(F)(F)c1ccc(C=C2CC[NH2+]CC2)c(CN2CCCC2)c1 ZINC001240879104 1056735897 /nfs/dbraw/zinc/73/58/97/1056735897.db2.gz JTKQYVLLSIQDLH-UHFFFAOYSA-N 1 3 324.390 4.068 20 0 DIADHO Cc1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc1C ZINC000065976663 1056818989 /nfs/dbraw/zinc/81/89/89/1056818989.db2.gz MJVNLZLZMOZFMY-UHFFFAOYSA-N 1 3 310.485 4.433 20 0 DIADHO Cc1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc1C ZINC000065976663 1056818992 /nfs/dbraw/zinc/81/89/92/1056818992.db2.gz MJVNLZLZMOZFMY-UHFFFAOYSA-N 1 3 310.485 4.433 20 0 DIADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000766166463 1057533683 /nfs/dbraw/zinc/53/36/83/1057533683.db2.gz SDGHZGBKDONIHY-OBJOEFQTSA-N 1 3 314.445 4.135 20 0 DIADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000766166463 1057533691 /nfs/dbraw/zinc/53/36/91/1057533691.db2.gz SDGHZGBKDONIHY-OBJOEFQTSA-N 1 3 314.445 4.135 20 0 DIADHO CCN(CC)Cc1ccc(-c2ccc(C[NH2+]C)cc2)cc1F ZINC001242993172 1057539107 /nfs/dbraw/zinc/53/91/07/1057539107.db2.gz GPTFJIQWTQREFQ-UHFFFAOYSA-N 1 3 300.421 4.054 20 0 DIADHO Cc1ccccc1[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000166795917 1057676474 /nfs/dbraw/zinc/67/64/74/1057676474.db2.gz OOVLEOOBXURJPB-LMMKCTJWSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccccc1[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000166795917 1057676477 /nfs/dbraw/zinc/67/64/77/1057676477.db2.gz OOVLEOOBXURJPB-LMMKCTJWSA-N 1 3 300.490 4.299 20 0 DIADHO CN(C)/C=C/c1ccncc1-c1ccc(C2CC[NH+](C)CC2)cc1 ZINC001243654462 1057744667 /nfs/dbraw/zinc/74/46/67/1057744667.db2.gz JBSZZZNLGDCICS-UKTHLTGXSA-N 1 3 321.468 4.090 20 0 DIADHO CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1C1=CNCCC1 ZINC001243952006 1057817674 /nfs/dbraw/zinc/81/76/74/1057817674.db2.gz LXMAMQHLHWNQAE-UHFFFAOYSA-N 1 3 312.379 4.272 20 0 DIADHO CCN(CC)Cc1cccc(-c2cccc(C[NH2+]C)c2F)c1F ZINC001244865418 1058059987 /nfs/dbraw/zinc/05/99/87/1058059987.db2.gz UDKBBQNDEMYKBR-UHFFFAOYSA-N 1 3 318.411 4.193 20 0 DIADHO Cc1ccc2[nH]c(-c3ccccc3CN3CCC([NH3+])CC3)cc2c1 ZINC001245571152 1058236856 /nfs/dbraw/zinc/23/68/56/1058236856.db2.gz JDTKRXMAPCBPBV-UHFFFAOYSA-N 1 3 319.452 4.066 20 0 DIADHO CC(C)([NH3+])c1ccc(-c2ccc(CN3CCCC3)c(F)c2)cc1 ZINC001245912250 1058617834 /nfs/dbraw/zinc/61/78/34/1058617834.db2.gz MLPBRYLGBRSVCP-UHFFFAOYSA-N 1 3 312.432 4.282 20 0 DIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246108202 1058680555 /nfs/dbraw/zinc/68/05/55/1058680555.db2.gz GPNDMAABNJDENW-SCRDCRAPSA-N 1 3 315.288 4.045 20 0 DIADHO CCC(C)(C)C1CCC(NC[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC001246112334 1058681174 /nfs/dbraw/zinc/68/11/74/1058681174.db2.gz NRXCHQCMNCMFHI-XUJLQICISA-N 1 3 320.443 4.113 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]C1(C)CCNCC1 ZINC001246121567 1058685008 /nfs/dbraw/zinc/68/50/08/1058685008.db2.gz BQKUPDLOBKNSGK-GOSISDBHSA-N 1 3 322.496 4.329 20 0 DIADHO CC(C)c1ccc(C[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246163028 1058705557 /nfs/dbraw/zinc/70/55/57/1058705557.db2.gz VAZZZPSHNQSIDH-VXKWHMMOSA-N 1 3 322.496 4.263 20 0 DIADHO CC1(C)C[C@H]([NH2+]CCc2ccc(-c3ccccc3)cc2)CCN1 ZINC001246162866 1058707630 /nfs/dbraw/zinc/70/76/30/1058707630.db2.gz ISSOPFSRKUZIGH-HXUWFJFHSA-N 1 3 308.469 4.016 20 0 DIADHO CC1(C)C[C@@H](NCCc2cccc(Oc3ccccc3)c2)CC[NH2+]1 ZINC001246161017 1058707951 /nfs/dbraw/zinc/70/79/51/1058707951.db2.gz WWYTYYVYWALUQF-SFHVURJKSA-N 1 3 324.468 4.142 20 0 DIADHO CC1(C)C[C@@H]([NH2+]CCc2cccc(Oc3ccccc3)c2)CCN1 ZINC001246161017 1058707972 /nfs/dbraw/zinc/70/79/72/1058707972.db2.gz WWYTYYVYWALUQF-SFHVURJKSA-N 1 3 324.468 4.142 20 0 DIADHO CCCC[C@H]1C[C@@H](NCCCOc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246175695 1058718569 /nfs/dbraw/zinc/71/85/69/1058718569.db2.gz FVJGHCSXDLGXTK-IRXDYDNUSA-N 1 3 324.896 4.009 20 0 DIADHO CCCC[C@@H]1C[C@H](NCCCOc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246175684 1058719492 /nfs/dbraw/zinc/71/94/92/1058719492.db2.gz FVJGHCSXDLGXTK-IAGOWNOFSA-N 1 3 324.896 4.009 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCC(c3ccccc3)CC2)CCN1 ZINC001246175319 1058720771 /nfs/dbraw/zinc/72/07/71/1058720771.db2.gz IQAHSZRNKJPFLG-TUNPWDSISA-N 1 3 314.517 4.469 20 0 DIADHO Cc1cc(F)ccc1[C@@H]1C[C@@H](NC/C=C/c2ccccc2)CC[NH2+]1 ZINC001246177623 1058722677 /nfs/dbraw/zinc/72/26/77/1058722677.db2.gz CJGJSAXMAKZCSL-LAMSDQTKSA-N 1 3 324.443 4.230 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CCN1 ZINC001246181332 1058728035 /nfs/dbraw/zinc/72/80/35/1058728035.db2.gz VXTFOFWLTOPBFL-MAWWAHAJSA-N 1 3 318.549 4.492 20 0 DIADHO CC1(C)C[C@@H]([NH2+]CC2(c3ccccc3)CCCCC2)CCN1 ZINC001246184159 1058729747 /nfs/dbraw/zinc/72/97/47/1058729747.db2.gz ZVNFQYDMWZMFBQ-SFHVURJKSA-N 1 3 300.490 4.009 20 0 DIADHO c1ccc(C[C@H]2C[C@@H]([NH2+]Cc3ccccc3C3CC3)CCN2)cc1 ZINC001246187806 1058730502 /nfs/dbraw/zinc/73/05/02/1058730502.db2.gz GTLWTMUNBBNWKC-SFTDATJTSA-N 1 3 320.480 4.017 20 0 DIADHO C[C@H]1CC(NC2(c3ccccc3)CCCCCC2)C[C@H](C)[NH2+]1 ZINC001246193479 1058732950 /nfs/dbraw/zinc/73/29/50/1058732950.db2.gz FSGHKSFCZGBJGO-IRXDYDNUSA-N 1 3 300.490 4.355 20 0 DIADHO C[C@H]1CC([NH2+]C2(c3ccccc3)CCCCCC2)C[C@H](C)N1 ZINC001246193479 1058732969 /nfs/dbraw/zinc/73/29/69/1058732969.db2.gz FSGHKSFCZGBJGO-IRXDYDNUSA-N 1 3 300.490 4.355 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC001246213127 1058745183 /nfs/dbraw/zinc/74/51/83/1058745183.db2.gz YYIPYCJZQYRULT-NJNPRVFISA-N 1 3 322.496 4.185 20 0 DIADHO CC1(C)C[C@@H]([NH2+]CCC(c2ccccc2)c2ccccc2)CCN1 ZINC001246231725 1058752163 /nfs/dbraw/zinc/75/21/63/1058752163.db2.gz DKDYFFGBDYWQJH-FQEVSTJZSA-N 1 3 322.496 4.329 20 0 DIADHO CCCc1ccc(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001246229819 1058754687 /nfs/dbraw/zinc/75/46/87/1058754687.db2.gz LSOYGQMYXISTMA-RTWAWAEBSA-N 1 3 308.469 4.222 20 0 DIADHO CCC[C@H](N[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246239724 1058760158 /nfs/dbraw/zinc/76/01/58/1058760158.db2.gz LDMOFXCKOBTOGB-FKBYEOEOSA-N 1 3 322.496 4.481 20 0 DIADHO CCC[C@H]([NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246239724 1058760176 /nfs/dbraw/zinc/76/01/76/1058760176.db2.gz LDMOFXCKOBTOGB-FKBYEOEOSA-N 1 3 322.496 4.481 20 0 DIADHO CC(C)[C@@H]([NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246237267 1058760537 /nfs/dbraw/zinc/76/05/37/1058760537.db2.gz HMNYUCZXDKGYKT-BHDDXSALSA-N 1 3 322.496 4.337 20 0 DIADHO CC(C)[C@@H](N[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246237267 1058760558 /nfs/dbraw/zinc/76/05/58/1058760558.db2.gz HMNYUCZXDKGYKT-BHDDXSALSA-N 1 3 322.496 4.337 20 0 DIADHO CCC[C@H](N[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246239730 1058761029 /nfs/dbraw/zinc/76/10/29/1058761029.db2.gz LDMOFXCKOBTOGB-VSKRKVRLSA-N 1 3 322.496 4.481 20 0 DIADHO CCC[C@H]([NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246239730 1058761052 /nfs/dbraw/zinc/76/10/52/1058761052.db2.gz LDMOFXCKOBTOGB-VSKRKVRLSA-N 1 3 322.496 4.481 20 0 DIADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)c2ccccc21 ZINC001246259723 1058779528 /nfs/dbraw/zinc/77/95/28/1058779528.db2.gz PMRZXQSTNRXQEB-ONZODILHSA-N 1 3 320.480 4.188 20 0 DIADHO CC(C)[C@@H]1C[C@@H](N[C@H](c2ccccc2)C2CCCC2)CC[NH2+]1 ZINC001246268102 1058783151 /nfs/dbraw/zinc/78/31/51/1058783151.db2.gz HUMPCCOHOFWEBK-SLFFLAALSA-N 1 3 300.490 4.284 20 0 DIADHO OCCCCCCCCCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246269610 1058784156 /nfs/dbraw/zinc/78/41/56/1058784156.db2.gz CKWRNQXGXOBXEY-ACDBMABISA-N 1 3 324.553 4.142 20 0 DIADHO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)c1 ZINC001246297781 1058811921 /nfs/dbraw/zinc/81/19/21/1058811921.db2.gz OFMXUKYBDDYGIW-QIJUGHKUSA-N 1 3 322.496 4.317 20 0 DIADHO CCCC[C@H]1C[C@H](NC(C)(C)Cc2ccccc2F)CC[NH2+]1 ZINC001246311775 1058819678 /nfs/dbraw/zinc/81/96/78/1058819678.db2.gz SUGXKGJIXWJNCA-DLBZAZTESA-N 1 3 306.469 4.047 20 0 DIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001246325278 1058834693 /nfs/dbraw/zinc/83/46/93/1058834693.db2.gz ITWFCPKBJQSBDW-HWWQOWPSSA-N 1 3 315.288 4.045 20 0 DIADHO c1ccc2c(c1)CCC21CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246335562 1058841631 /nfs/dbraw/zinc/84/16/31/1058841631.db2.gz YVCVFEMNACSADW-VPKMPKATSA-N 1 3 324.512 4.076 20 0 DIADHO CCCCC[C@@H](CC)NC1(c2ccc(F)cc2)CC[NH2+]CC1 ZINC001246337337 1058847705 /nfs/dbraw/zinc/84/77/05/1058847705.db2.gz ROGSIBYZRIVEFH-GOSISDBHSA-N 1 3 306.469 4.353 20 0 DIADHO CCCCCC[C@H](CC)[NH2+]C[C@H]1CCN[C@@H]1c1cccnc1 ZINC001246340050 1058848961 /nfs/dbraw/zinc/84/89/61/1058848961.db2.gz KODOXEROLFWOER-CEXWTWQISA-N 1 3 303.494 4.071 20 0 DIADHO CCCCCC[C@H](CCC)[NH2+]C[C@@H]1CCN[C@H]1c1cccnc1 ZINC001246342740 1058851327 /nfs/dbraw/zinc/85/13/27/1058851327.db2.gz TWRTTXJFSBDZOA-UFYCRDLUSA-N 1 3 317.521 4.461 20 0 DIADHO CC(C)c1ccc(CCN[C@@H]2CC[NH2+]C3(CCCCC3)C2)cc1 ZINC001246343623 1058858016 /nfs/dbraw/zinc/85/80/16/1058858016.db2.gz NKWWCPUVPKFXEL-HXUWFJFHSA-N 1 3 314.517 4.397 20 0 DIADHO c1ccc([C@@H]2C[C@H](N[C@@H]3CCCNc4ccccc43)CC[NH2+]2)cc1 ZINC001246358398 1058869251 /nfs/dbraw/zinc/86/92/51/1058869251.db2.gz PBASCIGZQHQVLF-UIFIKXQLSA-N 1 3 321.468 4.016 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+]C(C)(C)CCN ZINC001246361579 1058870547 /nfs/dbraw/zinc/87/05/47/1058870547.db2.gz IUFFDOYBICCYPG-KRWDZBQOSA-N 1 3 310.485 4.314 20 0 DIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C(C)(C)CCN ZINC001246366016 1058873027 /nfs/dbraw/zinc/87/30/27/1058873027.db2.gz WITATGOKXIKWEA-NSHDSACASA-N 1 3 303.277 4.032 20 0 DIADHO CC[C@@H](CC(C)C)[NH2+]C1(c2ccccc2Cl)CCNCC1 ZINC001246374615 1058876773 /nfs/dbraw/zinc/87/67/73/1058876773.db2.gz FYSYHSZDHNNJCZ-HNNXBMFYSA-N 1 3 308.897 4.333 20 0 DIADHO CCCC(CCC)[NH2+]C1(c2ccccc2Cl)CCNCC1 ZINC001246372795 1058877395 /nfs/dbraw/zinc/87/73/95/1058877395.db2.gz FVZHBBFBVCSOED-UHFFFAOYSA-N 1 3 308.897 4.477 20 0 DIADHO CC1(C)CCC([NH2+]C2(c3ccccc3Cl)CCNCC2)CC1 ZINC001246374012 1058878121 /nfs/dbraw/zinc/87/81/21/1058878121.db2.gz IYGGMYBMYNZYJU-UHFFFAOYSA-N 1 3 320.908 4.477 20 0 DIADHO Clc1ccccc1C1([NH2+]C2CCC3(CC3)CC2)CCNCC1 ZINC001246374760 1058878417 /nfs/dbraw/zinc/87/84/17/1058878417.db2.gz LIVUPCQUDLOTHV-UHFFFAOYSA-N 1 3 318.892 4.231 20 0 DIADHO C[C@@H]1CCC[C@@H]([NH2+]C2(c3ccccc3Cl)CCNCC2)C1 ZINC001246375295 1058878589 /nfs/dbraw/zinc/87/85/89/1058878589.db2.gz OABLBKIVPMQHLO-HUUCEWRRSA-N 1 3 306.881 4.087 20 0 DIADHO CC1CCC([NH2+]C2(Cc3ccccc3Cl)CCNCC2)CC1 ZINC001246380170 1058882846 /nfs/dbraw/zinc/88/28/46/1058882846.db2.gz GJNGJUQNNRWWHH-UHFFFAOYSA-N 1 3 320.908 4.173 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3C)CC2)CCN1 ZINC001246383376 1058886228 /nfs/dbraw/zinc/88/62/28/1058886228.db2.gz ITLPHGACKANCHB-PMACEKPBSA-N 1 3 314.517 4.218 20 0 DIADHO c1ccc([C@H]2CCC[C@@H]([NH2+]C3(CC4CC4)CCNCC3)C2)cc1 ZINC001246382693 1058888176 /nfs/dbraw/zinc/88/81/76/1058888176.db2.gz ZMLKZRODOPYPBQ-VQTJNVASSA-N 1 3 312.501 4.225 20 0 DIADHO CC1(C)CCC[C@@H]([NH2+]C2(Cc3ccccc3F)CCNCC2)C1 ZINC001246381731 1058888620 /nfs/dbraw/zinc/88/86/20/1058888620.db2.gz RSZXDDRXBNMAFN-QGZVFWFLSA-N 1 3 318.480 4.049 20 0 DIADHO Cc1ccc(CC(C)(C)C[NH2+][C@H]2CCN[C@@H](C(C)(C)C)C2)cc1 ZINC001246382996 1058888670 /nfs/dbraw/zinc/88/86/70/1058888670.db2.gz GSXKMZDZUQNVAX-RBUKOAKNSA-N 1 3 316.533 4.320 20 0 DIADHO CCCC[C@H]1C[C@H]([NH2+]CC2(Cc3ccccc3C)CC2)CCN1 ZINC001246383378 1058889900 /nfs/dbraw/zinc/88/99/00/1058889900.db2.gz ITLPHGACKANCHB-VQTJNVASSA-N 1 3 314.517 4.218 20 0 DIADHO Cc1ccc(CC(C)(C)C[NH2+][C@H]2CCN[C@H](C(C)(C)C)C2)cc1 ZINC001246382995 1058890124 /nfs/dbraw/zinc/89/01/24/1058890124.db2.gz GSXKMZDZUQNVAX-OALUTQOASA-N 1 3 316.533 4.320 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+]CC(C)(C)Cc2ccc(C)cc2)CCN1 ZINC001246386110 1058891100 /nfs/dbraw/zinc/89/11/00/1058891100.db2.gz DVPRMOYTKKXLQC-WOJBJXKFSA-N 1 3 316.533 4.464 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)CCN1 ZINC001246389887 1058891322 /nfs/dbraw/zinc/89/13/22/1058891322.db2.gz LPSZVSOAGLOYIZ-RTBURBONSA-N 1 3 318.480 4.049 20 0 DIADHO C[C@H]1CCC[C@@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)C1 ZINC001246388736 1058894094 /nfs/dbraw/zinc/89/40/94/1058894094.db2.gz GMSSVOZJNBTHJF-MAUKXSAKSA-N 1 3 320.908 4.173 20 0 DIADHO CCCC[C@H]1C[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)CCN1 ZINC001246389886 1058894888 /nfs/dbraw/zinc/89/48/88/1058894888.db2.gz LPSZVSOAGLOYIZ-RBUKOAKNSA-N 1 3 318.480 4.049 20 0 DIADHO Clc1ccc(CC2([NH2+]C3CCCCCC3)CCNCC2)cc1 ZINC001246391386 1058895895 /nfs/dbraw/zinc/89/58/95/1058895895.db2.gz MNUGQCXLTAVHND-UHFFFAOYSA-N 1 3 320.908 4.317 20 0 DIADHO CCCC[C@H]1C[C@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)CCN1 ZINC001246391625 1058896246 /nfs/dbraw/zinc/89/62/46/1058896246.db2.gz NYPSRKYYCMFAQI-RBUKOAKNSA-N 1 3 318.480 4.191 20 0 DIADHO CCC1([NH2+][C@@H]2CCN[C@H](C(C)(C)C)C2)CCC(F)(F)CC1 ZINC001246410462 1058910238 /nfs/dbraw/zinc/91/02/38/1058910238.db2.gz HFBOAIAKWLHUQY-KGLIPLIRSA-N 1 3 302.453 4.101 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCCc2ccc(Cl)cc2)CCN1 ZINC001246411410 1058914608 /nfs/dbraw/zinc/91/46/08/1058914608.db2.gz DDYOWGLEUCRNRU-MSOLQXFVSA-N 1 3 322.924 4.419 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH2+]C(C)(C)Cc2cccc(F)c2)CCN1 ZINC001246412641 1058915666 /nfs/dbraw/zinc/91/56/66/1058915666.db2.gz UCEZPZQVROUMDL-ROUUACIJSA-N 1 3 306.469 4.047 20 0 DIADHO Cc1cccc(C2(N[C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)CCC2)c1 ZINC001246415015 1058916891 /nfs/dbraw/zinc/91/68/91/1058916891.db2.gz WZEPSVIKDJIOSY-NHCUHLMSSA-N 1 3 320.480 4.457 20 0 DIADHO Cc1cccc(C2(N[C@H]3CC[NH2+][C@@H](c4ccccc4)C3)CCC2)c1 ZINC001246415007 1058917205 /nfs/dbraw/zinc/91/72/05/1058917205.db2.gz WZEPSVIKDJIOSY-LEWJYISDSA-N 1 3 320.480 4.457 20 0 DIADHO CC[C@H](C)C[C@H](CC)NC1(c2cccc(OC)c2)CC[NH2+]CC1 ZINC001246417510 1058917722 /nfs/dbraw/zinc/91/77/22/1058917722.db2.gz XQYJZSNGHZMHBV-WMZOPIPTSA-N 1 3 318.505 4.078 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+]C2(CC)CCC(F)(F)CC2)CCN1 ZINC001246417309 1058918596 /nfs/dbraw/zinc/91/85/96/1058918596.db2.gz UFHNNFORUPRPFJ-HUUCEWRRSA-N 1 3 302.453 4.245 20 0 DIADHO CCCCC[C@H](CC)[NH2+]C1(c2ccccc2F)CCNCC1 ZINC001246429320 1058921261 /nfs/dbraw/zinc/92/12/61/1058921261.db2.gz LWIZXCBHDYRKCQ-INIZCTEOSA-N 1 3 306.469 4.353 20 0 DIADHO C[C@@H]1CCC[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)C1 ZINC001246426474 1058921611 /nfs/dbraw/zinc/92/16/11/1058921611.db2.gz BRDIFZJNEVOQKR-CRAIPNDOSA-N 1 3 320.908 4.173 20 0 DIADHO Cc1ccc(CC[C@H](C)NC2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC001246429360 1058922474 /nfs/dbraw/zinc/92/24/74/1058922474.db2.gz MJCUIBMAOPFMEO-IBGZPJMESA-N 1 3 322.496 4.185 20 0 DIADHO C[C@H]1CC(NC2(c3cccc(Cl)c3)CC[NH2+]CC2)C[C@H](C)C1 ZINC001246430871 1058924905 /nfs/dbraw/zinc/92/49/05/1058924905.db2.gz QGVNSLLIFIJKAP-HUUCEWRRSA-N 1 3 320.908 4.333 20 0 DIADHO C[C@H]1C[C@@H]([NH2+]C2(c3ccccc3F)CCNCC2)CC(C)(C)C1 ZINC001246431860 1058925839 /nfs/dbraw/zinc/92/58/39/1058925839.db2.gz UIWCSYSPSTUCPR-JKSUJKDBSA-N 1 3 318.480 4.209 20 0 DIADHO CC[C@H](C[C@@H](C)CC)NC1(c2cccc(F)c2)CC[NH2+]CC1 ZINC001246434097 1058925919 /nfs/dbraw/zinc/92/59/19/1058925919.db2.gz AKOIXKIGJVDVSH-MAUKXSAKSA-N 1 3 306.469 4.209 20 0 DIADHO c1ccc([C@@H]2CC[C@H](NC3(c4ccccc4)CC[NH2+]CC3)C2)cc1 ZINC001246430733 1058926959 /nfs/dbraw/zinc/92/69/59/1058926959.db2.gz QWZNPXNQRRLBRS-CTNGQTDRSA-N 1 3 320.480 4.191 20 0 DIADHO CC1CCC(NC2(c3cccc(Cl)c3)CC[NH2+]CC2)CC1 ZINC001246438528 1058929318 /nfs/dbraw/zinc/92/93/18/1058929318.db2.gz QXJSULVZHPLMMD-UHFFFAOYSA-N 1 3 306.881 4.087 20 0 DIADHO CCCC[C@H]1C[C@H](NC2(Cc3ccccc3F)CCC2)CC[NH2+]1 ZINC001246435488 1058930242 /nfs/dbraw/zinc/93/02/42/1058930242.db2.gz RPJWSDQLFGTDME-ZWKOTPCHSA-N 1 3 318.480 4.191 20 0 DIADHO CC[C@@H]1C[C@H](NCC2(Cc3ccccc3F)CC2)C[C@H](CC)[NH2+]1 ZINC001246440421 1058935760 /nfs/dbraw/zinc/93/57/60/1058935760.db2.gz SXBBXWPISWEBLQ-PIIMJCKOSA-N 1 3 318.480 4.047 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[NH2+]C1(CC2CCC2)CCNCC1 ZINC001246449922 1058936662 /nfs/dbraw/zinc/93/66/62/1058936662.db2.gz ZCUVJVYCWBVXNZ-FQEVSTJZSA-N 1 3 314.517 4.300 20 0 DIADHO CCC[C@H](Cc1ccccc1)[NH2+]C1(CC2CCC2)CCNCC1 ZINC001246449923 1058937750 /nfs/dbraw/zinc/93/77/50/1058937750.db2.gz ZCUVJVYCWBVXNZ-HXUWFJFHSA-N 1 3 314.517 4.300 20 0 DIADHO CC(C)=CCC[C@@H](C)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246455161 1058941208 /nfs/dbraw/zinc/94/12/08/1058941208.db2.gz GWQCIYHJJQCBKE-QGZVFWFLSA-N 1 3 318.480 4.215 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001246466903 1058953163 /nfs/dbraw/zinc/95/31/63/1058953163.db2.gz XOCISSKJLSTDBP-BSIFCXSSSA-N 1 3 308.469 4.067 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@H]1C[C@@](C)(N)C1 ZINC001246466903 1058953181 /nfs/dbraw/zinc/95/31/81/1058953181.db2.gz XOCISSKJLSTDBP-BSIFCXSSSA-N 1 3 308.469 4.067 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+]C[C@H]2CCCc3ccccc32)CCN1 ZINC001246466190 1058953683 /nfs/dbraw/zinc/95/36/83/1058953683.db2.gz NXDMIPQXHXKVEA-GUDVDZBRSA-N 1 3 300.490 4.007 20 0 DIADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)c1C ZINC001246473774 1058960598 /nfs/dbraw/zinc/96/05/98/1058960598.db2.gz KEEWUGDMBFTIPS-NRSPTQNISA-N 1 3 322.496 4.317 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)N[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246489950 1058968102 /nfs/dbraw/zinc/96/81/02/1058968102.db2.gz BZWWDFUTPPNAAB-OPYAIIAOSA-N 1 3 322.496 4.185 20 0 DIADHO CCCC(C[NH3+])(CCC)N[C@@H](C)CSc1ccc(F)cc1 ZINC001246495388 1058970592 /nfs/dbraw/zinc/97/05/92/1058970592.db2.gz KEEUKNIOWRCPRU-AWEZNQCLSA-N 1 3 312.498 4.194 20 0 DIADHO Fc1cccc2c1CCC[C@H]2N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246500169 1058974621 /nfs/dbraw/zinc/97/46/21/1058974621.db2.gz PHRCZRKKBSFXBG-ZLGUVYLKSA-N 1 3 324.443 4.286 20 0 DIADHO CCC1CCC(C2CCC([NH2+][C@@H](C3CC3)C3CNC3)CC2)CC1 ZINC001246514445 1058976525 /nfs/dbraw/zinc/97/65/25/1058976525.db2.gz HZQQANBHXNQZFN-YCUWADLISA-N 1 3 318.549 4.349 20 0 DIADHO C[C@H]1C[C@@H]([NH2+]CCc2ccc(/C=C/c3ccccc3)cc2)CCN1 ZINC001246508885 1058977052 /nfs/dbraw/zinc/97/70/52/1058977052.db2.gz DCXCUKHQDXMGFG-RPTXYRIKSA-N 1 3 320.480 4.130 20 0 DIADHO CC[C@H]1CC[C@H](C2CCC([NH2+][C@H](C3CC3)C3CNC3)CC2)CC1 ZINC001246514441 1058977518 /nfs/dbraw/zinc/97/75/18/1058977518.db2.gz HZQQANBHXNQZFN-UVEZBREASA-N 1 3 318.549 4.349 20 0 DIADHO CCCC[C@H]1C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)CCN1 ZINC001246518437 1058981337 /nfs/dbraw/zinc/98/13/37/1058981337.db2.gz GAULFTCJNRGLBM-LEWJYISDSA-N 1 3 314.517 4.252 20 0 DIADHO CCCC[C@H]1C[C@H](N2CCC(Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246518437 1058981361 /nfs/dbraw/zinc/98/13/61/1058981361.db2.gz GAULFTCJNRGLBM-LEWJYISDSA-N 1 3 314.517 4.252 20 0 DIADHO CC[C@H]1C[C@@H]([NH+]2CCC(CCCc3ccccc3)CC2)CCN1 ZINC001246536412 1058990838 /nfs/dbraw/zinc/99/08/38/1058990838.db2.gz PLBIUQGLNMQDFT-SFTDATJTSA-N 1 3 314.517 4.252 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2c2cccc(C)c2)CCN1 ZINC001246542657 1058994270 /nfs/dbraw/zinc/99/42/70/1058994270.db2.gz WRIFSFWBDJCMJC-HSALFYBXSA-N 1 3 300.490 4.443 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2cccc(C)c2)CCN1 ZINC001246542657 1058994292 /nfs/dbraw/zinc/99/42/92/1058994292.db2.gz WRIFSFWBDJCMJC-HSALFYBXSA-N 1 3 300.490 4.443 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)N1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246563068 1059004832 /nfs/dbraw/zinc/00/48/32/1059004832.db2.gz BEMYKODRPRDPIK-BZUAXINKSA-N 1 3 324.534 4.129 20 0 DIADHO c1ccc(C[N@H+](C2CCCCC2)[C@H]2CCNC3(CCC3)C2)cc1 ZINC001246595790 1059014432 /nfs/dbraw/zinc/01/44/32/1059014432.db2.gz IOYUJECUDFPTFC-FQEVSTJZSA-N 1 3 312.501 4.496 20 0 DIADHO c1ccc(C[N@@H+](C2CCCCC2)[C@H]2CCNC3(CCC3)C2)cc1 ZINC001246595790 1059014452 /nfs/dbraw/zinc/01/44/52/1059014452.db2.gz IOYUJECUDFPTFC-FQEVSTJZSA-N 1 3 312.501 4.496 20 0 DIADHO Clc1cccc(C2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4)CC2)c1 ZINC001246590813 1059014826 /nfs/dbraw/zinc/01/48/26/1059014826.db2.gz AIVQHUZFSZVMQQ-REPLKXPHSA-N 1 3 318.892 4.193 20 0 DIADHO Clc1cccc(C2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)c1 ZINC001246590813 1059014847 /nfs/dbraw/zinc/01/48/47/1059014847.db2.gz AIVQHUZFSZVMQQ-REPLKXPHSA-N 1 3 318.892 4.193 20 0 DIADHO CC[C@H]1C[C@@H](N2CCC(c3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246595402 1059016309 /nfs/dbraw/zinc/01/63/09/1059016309.db2.gz NGYPVKADOIJCFN-ROUUACIJSA-N 1 3 306.881 4.050 20 0 DIADHO C[C@@H]1CC([N@H+](Cc2ccccc2)C2CCCCC2)C[C@@H](C)N1 ZINC001246595801 1059017688 /nfs/dbraw/zinc/01/76/88/1059017688.db2.gz IRIOQANTKNMFRZ-IAGOWNOFSA-N 1 3 300.490 4.350 20 0 DIADHO C[C@@H]1CC([N@@H+](Cc2ccccc2)C2CCCCC2)C[C@@H](C)N1 ZINC001246595801 1059017703 /nfs/dbraw/zinc/01/77/03/1059017703.db2.gz IRIOQANTKNMFRZ-IAGOWNOFSA-N 1 3 300.490 4.350 20 0 DIADHO CC(C)[N@H+]([C@H]1CC[C@@H](c2ccccc2)C1)[C@@H]1CCCNCC1 ZINC001246590738 1059019700 /nfs/dbraw/zinc/01/97/00/1059019700.db2.gz HVFDOLAQNVNRJG-AQNXPRMDSA-N 1 3 300.490 4.175 20 0 DIADHO CC(C)[N@@H+]([C@H]1CC[C@@H](c2ccccc2)C1)[C@@H]1CCCNCC1 ZINC001246590738 1059019721 /nfs/dbraw/zinc/01/97/21/1059019721.db2.gz HVFDOLAQNVNRJG-AQNXPRMDSA-N 1 3 300.490 4.175 20 0 DIADHO CC(C)[N@H+]([C@@H]1CC[C@@H](c2ccccc2)C1)[C@H]1CCCNCC1 ZINC001246590739 1059019777 /nfs/dbraw/zinc/01/97/77/1059019777.db2.gz HVFDOLAQNVNRJG-HSALFYBXSA-N 1 3 300.490 4.175 20 0 DIADHO CC(C)[N@@H+]([C@@H]1CC[C@@H](c2ccccc2)C1)[C@H]1CCCNCC1 ZINC001246590739 1059019798 /nfs/dbraw/zinc/01/97/98/1059019798.db2.gz HVFDOLAQNVNRJG-HSALFYBXSA-N 1 3 300.490 4.175 20 0 DIADHO CC(C)[C@H]1C[C@H](N2CCC(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246600321 1059021903 /nfs/dbraw/zinc/02/19/03/1059021903.db2.gz LHWHFRDIHXOXFZ-RTBURBONSA-N 1 3 320.908 4.296 20 0 DIADHO CC[C@@H]1C[C@H]([NH+]2CCC(Cc3cccc(Cl)c3)CC2)CCN1 ZINC001246601335 1059023590 /nfs/dbraw/zinc/02/35/90/1059023590.db2.gz UUDCDWRUIBTYNX-RTBURBONSA-N 1 3 320.908 4.125 20 0 DIADHO CC[C@@H]1C[C@H](N2CCC(Cc3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC001246601335 1059023610 /nfs/dbraw/zinc/02/36/10/1059023610.db2.gz UUDCDWRUIBTYNX-RTBURBONSA-N 1 3 320.908 4.125 20 0 DIADHO c1ccc([C@@H]2CCC[C@H](N3CCC4(CCCC[NH2+]4)CC3)C2)cc1 ZINC001246611352 1059025694 /nfs/dbraw/zinc/02/56/94/1059025694.db2.gz PDFBNDUGVLNUKI-UXHICEINSA-N 1 3 312.501 4.321 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246613426 1059026791 /nfs/dbraw/zinc/02/67/91/1059026791.db2.gz ZHYPYUACDNTXGB-VQTJNVASSA-N 1 3 300.490 4.006 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@]12CCCNC2 ZINC001246613426 1059026810 /nfs/dbraw/zinc/02/68/10/1059026810.db2.gz ZHYPYUACDNTXGB-VQTJNVASSA-N 1 3 300.490 4.006 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001246613426 1059026829 /nfs/dbraw/zinc/02/68/29/1059026829.db2.gz ZHYPYUACDNTXGB-VQTJNVASSA-N 1 3 300.490 4.006 20 0 DIADHO CCC[C@H](CCc1ccccc1)[N@@H+]1CCC[C@]2(CCCNC2)C1 ZINC001246609086 1059028935 /nfs/dbraw/zinc/02/89/35/1059028935.db2.gz KPDFJDKXQOWRCM-RTWAWAEBSA-N 1 3 314.517 4.254 20 0 DIADHO CCC[C@H](CCc1ccccc1)[N@H+]1CCC[C@]2(CCCNC2)C1 ZINC001246609086 1059028958 /nfs/dbraw/zinc/02/89/58/1059028958.db2.gz KPDFJDKXQOWRCM-RTWAWAEBSA-N 1 3 314.517 4.254 20 0 DIADHO CC[C@@H](CC(C)C)N1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246676869 1059063993 /nfs/dbraw/zinc/06/39/93/1059063993.db2.gz UODLPBRZPGGZKF-XUVXKRRUSA-N 1 3 300.490 4.033 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H](N2CCC(c3ccccc3)CC2)CC[NH2+]1 ZINC001246691234 1059067443 /nfs/dbraw/zinc/06/74/43/1059067443.db2.gz QEOCKJMCCPTTDL-MOPGFXCFSA-N 1 3 300.490 4.033 20 0 DIADHO CCCC[C@@H]1C[C@@H](N2CCC(c3ccccc3)CC2)CC[NH2+]1 ZINC001246694097 1059067928 /nfs/dbraw/zinc/06/79/28/1059067928.db2.gz VABLTWJSOBOGAM-UXHICEINSA-N 1 3 300.490 4.177 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH+]2CCC(c3ccccc3)CC2)CCN1 ZINC001246694097 1059067948 /nfs/dbraw/zinc/06/79/48/1059067948.db2.gz VABLTWJSOBOGAM-UXHICEINSA-N 1 3 300.490 4.177 20 0 DIADHO CN(Cc1cccc2ccccc21)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246775583 1059075490 /nfs/dbraw/zinc/07/54/90/1059075490.db2.gz IXRVZEILBJHBDC-UYAOXDASSA-N 1 3 310.485 4.438 20 0 DIADHO CCCC[C@@H]1C[C@@H](N2CCC(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246781035 1059080016 /nfs/dbraw/zinc/08/00/16/1059080016.db2.gz BBKCWOCNIJXRTD-UXHICEINSA-N 1 3 318.480 4.316 20 0 DIADHO CCCC[C@H]1C[C@@H](N2CCC(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246781031 1059080677 /nfs/dbraw/zinc/08/06/77/1059080677.db2.gz BBKCWOCNIJXRTD-PMACEKPBSA-N 1 3 318.480 4.316 20 0 DIADHO CCCC[C@@H]1C[C@@H](N2CCC[C@H]2c2ccc(OC)cc2)CC[NH2+]1 ZINC001246788336 1059085196 /nfs/dbraw/zinc/08/51/96/1059085196.db2.gz RDOOVNNCMDODHC-HBFSDRIKSA-N 1 3 316.489 4.143 20 0 DIADHO c1csc([C@H]2CCCN2[C@@H]2CC[NH2+]C3(CCCCC3)C2)c1 ZINC001246786608 1059088018 /nfs/dbraw/zinc/08/80/18/1059088018.db2.gz MDLYHASMVKBCFM-HZPDHXFCSA-N 1 3 304.503 4.340 20 0 DIADHO CCCC[C@@H]1C[C@H](N2CCC[C@H]2c2ccc(OC)cc2)CC[NH2+]1 ZINC001246788317 1059088119 /nfs/dbraw/zinc/08/81/19/1059088119.db2.gz RDOOVNNCMDODHC-GGPKGHCWSA-N 1 3 316.489 4.143 20 0 DIADHO C[N@H+]([C@H]1CCNC2(CCCCC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246783958 1059088185 /nfs/dbraw/zinc/08/81/85/1059088185.db2.gz SEYCFUACIMMLGM-TWJKGYNYSA-N 1 3 316.533 4.342 20 0 DIADHO C[N@@H+]([C@H]1CCNC2(CCCCC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246783958 1059088203 /nfs/dbraw/zinc/08/82/03/1059088203.db2.gz SEYCFUACIMMLGM-TWJKGYNYSA-N 1 3 316.533 4.342 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H](N2CCC(c3cccs3)CC2)CC[NH2+]1 ZINC001246788729 1059093578 /nfs/dbraw/zinc/09/35/78/1059093578.db2.gz IETRGQYXRFAREQ-RDJZCZTQSA-N 1 3 306.519 4.094 20 0 DIADHO CC[C@@H]1C[C@H](N2CCC[C@@H]2c2ccccc2OC)C[C@H](CC)[NH2+]1 ZINC001246792527 1059094280 /nfs/dbraw/zinc/09/42/80/1059094280.db2.gz QLXBIEUVPPTQFA-VUHPKUFZSA-N 1 3 316.489 4.141 20 0 DIADHO C[C@@H]1CC(N2CCc3ccccc3[C@@H]2c2ccccc2)C[C@@H](C)[NH2+]1 ZINC001246807600 1059102897 /nfs/dbraw/zinc/10/28/97/1059102897.db2.gz SLJQWJOHIJVMRZ-YVHKJVDXSA-N 1 3 320.480 4.163 20 0 DIADHO Fc1cccc([C@H]2CCN([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)c1 ZINC001246833540 1059115989 /nfs/dbraw/zinc/11/59/89/1059115989.db2.gz LSCZYJSCTJCRMS-HKUYNNGSSA-N 1 3 316.464 4.070 20 0 DIADHO CCN(Cc1cccc(OC)c1)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246838714 1059117790 /nfs/dbraw/zinc/11/77/90/1059117790.db2.gz FEPATKHOFDXSJJ-TZIWHRDSSA-N 1 3 324.468 4.010 20 0 DIADHO CCN(Cc1ccc(F)cc1)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246838434 1059119121 /nfs/dbraw/zinc/11/91/21/1059119121.db2.gz BVVNIHKRNGXUQX-VQTJNVASSA-N 1 3 312.432 4.141 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](c3ccccc3)CC2)CCN1 ZINC001246844668 1059125159 /nfs/dbraw/zinc/12/51/59/1059125159.db2.gz KCEDJMSHZRLEAR-AQNXPRMDSA-N 1 3 314.517 4.423 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H](c3ccccc3)CC2)CCN1 ZINC001246844668 1059125169 /nfs/dbraw/zinc/12/51/69/1059125169.db2.gz KCEDJMSHZRLEAR-AQNXPRMDSA-N 1 3 314.517 4.423 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)N1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246849759 1059128997 /nfs/dbraw/zinc/12/89/97/1059128997.db2.gz AYKCAYNDOYBYIO-NQSCKRDGSA-N 1 3 320.480 4.020 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H](N2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246852135 1059134226 /nfs/dbraw/zinc/13/42/26/1059134226.db2.gz MVXCMQBINYJGBB-JQHSSLGASA-N 1 3 320.908 4.296 20 0 DIADHO CC[C@@H]1CC(N2CCc3ccccc3[C@H]2CC)C[C@@H](CC)[NH2+]1 ZINC001246868236 1059143496 /nfs/dbraw/zinc/14/34/96/1059143496.db2.gz RIEDDWLDQZMSCK-MBOZVWFJSA-N 1 3 300.490 4.305 20 0 DIADHO CSc1ccccc1[C@@H]1CCC[N@@H+]1[C@H]1CCNC2(CCC2)C1 ZINC001246890228 1059153302 /nfs/dbraw/zinc/15/33/02/1059153302.db2.gz SOQXPUGPXDTBJI-RDJZCZTQSA-N 1 3 316.514 4.220 20 0 DIADHO CSc1ccccc1[C@@H]1CCC[N@H+]1[C@H]1CCNC2(CCC2)C1 ZINC001246890228 1059153310 /nfs/dbraw/zinc/15/33/10/1059153310.db2.gz SOQXPUGPXDTBJI-RDJZCZTQSA-N 1 3 316.514 4.220 20 0 DIADHO CSc1ccccc1[C@@H]1CCCN1[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246890228 1059153341 /nfs/dbraw/zinc/15/33/41/1059153341.db2.gz SOQXPUGPXDTBJI-RDJZCZTQSA-N 1 3 316.514 4.220 20 0 DIADHO CC[C@@H]1CC([N@H+](C)C(C)(C)Cc2ccccc2)C[C@@H](CC)N1 ZINC001246892938 1059154178 /nfs/dbraw/zinc/15/41/78/1059154178.db2.gz PKWIMSWOHAIJGO-QZTJIDSGSA-N 1 3 302.506 4.249 20 0 DIADHO CC[C@@H]1CC([N@@H+](C)C(C)(C)Cc2ccccc2)C[C@@H](CC)N1 ZINC001246892938 1059154208 /nfs/dbraw/zinc/15/42/08/1059154208.db2.gz PKWIMSWOHAIJGO-QZTJIDSGSA-N 1 3 302.506 4.249 20 0 DIADHO C[N@H+]([C@@H]1CCN[C@H](C(C)(C)C)C1)C(C)(C)Cc1ccccc1 ZINC001246895766 1059160202 /nfs/dbraw/zinc/16/02/02/1059160202.db2.gz YANVJHZBEJENOJ-MSOLQXFVSA-N 1 3 302.506 4.106 20 0 DIADHO C[N@@H+]([C@@H]1CCN[C@H](C(C)(C)C)C1)C(C)(C)Cc1ccccc1 ZINC001246895766 1059160216 /nfs/dbraw/zinc/16/02/16/1059160216.db2.gz YANVJHZBEJENOJ-MSOLQXFVSA-N 1 3 302.506 4.106 20 0 DIADHO CC[NH+](CC)CC[C@@H](C)N1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001246902466 1059164003 /nfs/dbraw/zinc/16/40/03/1059164003.db2.gz RPMKOGNBHBIZKT-OXQOHEQNSA-N 1 3 313.489 4.425 20 0 DIADHO CCN(CC)CC[C@@H](C)[N@@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001246902466 1059164022 /nfs/dbraw/zinc/16/40/22/1059164022.db2.gz RPMKOGNBHBIZKT-OXQOHEQNSA-N 1 3 313.489 4.425 20 0 DIADHO CCN(CC)CC[C@@H](C)[N@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001246902466 1059164027 /nfs/dbraw/zinc/16/40/27/1059164027.db2.gz RPMKOGNBHBIZKT-OXQOHEQNSA-N 1 3 313.489 4.425 20 0 DIADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1C ZINC001246907073 1059167862 /nfs/dbraw/zinc/16/78/62/1059167862.db2.gz HZFSLVHFTWTIAI-FCHUYYIVSA-N 1 3 322.496 4.099 20 0 DIADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1C ZINC001246907073 1059167869 /nfs/dbraw/zinc/16/78/69/1059167869.db2.gz HZFSLVHFTWTIAI-FCHUYYIVSA-N 1 3 322.496 4.099 20 0 DIADHO C[C@H](CSc1ccc(Cl)cc1)[N@H+](C)[C@H]1CCCC[C@H]1N ZINC001246916480 1059177072 /nfs/dbraw/zinc/17/70/72/1059177072.db2.gz HYXFHMPPGPXWFP-WQVCFCJDSA-N 1 3 312.910 4.022 20 0 DIADHO C[C@H](CSc1ccc(Cl)cc1)[N@@H+](C)[C@H]1CCCC[C@H]1N ZINC001246916480 1059177087 /nfs/dbraw/zinc/17/70/87/1059177087.db2.gz HYXFHMPPGPXWFP-WQVCFCJDSA-N 1 3 312.910 4.022 20 0 DIADHO C[C@@H](Cc1ccccc1F)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246932141 1059181484 /nfs/dbraw/zinc/18/14/84/1059181484.db2.gz FIKCSNOFFDOURJ-DLBZAZTESA-N 1 3 318.480 4.001 20 0 DIADHO C[C@@H](Cc1ccccc1F)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246932141 1059181493 /nfs/dbraw/zinc/18/14/93/1059181493.db2.gz FIKCSNOFFDOURJ-DLBZAZTESA-N 1 3 318.480 4.001 20 0 DIADHO C[C@H](Cc1ccc(F)cc1)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246932815 1059181597 /nfs/dbraw/zinc/18/15/97/1059181597.db2.gz HLDWZDGNGHLCNY-SJLPKXTDSA-N 1 3 318.480 4.001 20 0 DIADHO C[C@H](Cc1ccc(F)cc1)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246932815 1059181612 /nfs/dbraw/zinc/18/16/12/1059181612.db2.gz HLDWZDGNGHLCNY-SJLPKXTDSA-N 1 3 318.480 4.001 20 0 DIADHO CSC(C)(C)C[C@H](C)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246934939 1059184382 /nfs/dbraw/zinc/18/43/82/1059184382.db2.gz DCXXALPSLYGNLR-JKSUJKDBSA-N 1 3 312.567 4.151 20 0 DIADHO CSC(C)(C)C[C@H](C)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246934939 1059184388 /nfs/dbraw/zinc/18/43/88/1059184388.db2.gz DCXXALPSLYGNLR-JKSUJKDBSA-N 1 3 312.567 4.151 20 0 DIADHO Fc1cccc(C[N@H+](C2CCNCC2)C2CCC3(CC3)CC2)c1 ZINC001246935262 1059185629 /nfs/dbraw/zinc/18/56/29/1059185629.db2.gz GDIRVQDNWWTTKU-UHFFFAOYSA-N 1 3 316.464 4.103 20 0 DIADHO Fc1cccc(C[N@@H+](C2CCNCC2)C2CCC3(CC3)CC2)c1 ZINC001246935262 1059185645 /nfs/dbraw/zinc/18/56/45/1059185645.db2.gz GDIRVQDNWWTTKU-UHFFFAOYSA-N 1 3 316.464 4.103 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H](N)[C@@H]1C ZINC001246937970 1059186184 /nfs/dbraw/zinc/18/61/84/1059186184.db2.gz KSCXNKAGXSDCGD-WQGACYEGSA-N 1 3 315.288 4.126 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H](N)[C@@H]1C ZINC001246937970 1059186194 /nfs/dbraw/zinc/18/61/94/1059186194.db2.gz KSCXNKAGXSDCGD-WQGACYEGSA-N 1 3 315.288 4.126 20 0 DIADHO Fc1cccc(C[N@H+](C2CCNCC2)C2CCCCCCC2)c1 ZINC001246943701 1059189432 /nfs/dbraw/zinc/18/94/32/1059189432.db2.gz RYYAMRKWRGURHP-UHFFFAOYSA-N 1 3 318.480 4.493 20 0 DIADHO Fc1cccc(C[N@@H+](C2CCNCC2)C2CCCCCCC2)c1 ZINC001246943701 1059189440 /nfs/dbraw/zinc/18/94/40/1059189440.db2.gz RYYAMRKWRGURHP-UHFFFAOYSA-N 1 3 318.480 4.493 20 0 DIADHO Cc1cc(F)cc(C[N@H+]([C@H]2CCC(C)(C)C2)C2CCNCC2)c1 ZINC001246952790 1059198403 /nfs/dbraw/zinc/19/84/03/1059198403.db2.gz VVMUSCHNOAPLBE-IBGZPJMESA-N 1 3 318.480 4.267 20 0 DIADHO Cc1cc(F)cc(C[N@@H+]([C@H]2CCC(C)(C)C2)C2CCNCC2)c1 ZINC001246952790 1059198410 /nfs/dbraw/zinc/19/84/10/1059198410.db2.gz VVMUSCHNOAPLBE-IBGZPJMESA-N 1 3 318.480 4.267 20 0 DIADHO CC1(C)CC[C@@H](N(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246954865 1059199660 /nfs/dbraw/zinc/19/96/60/1059199660.db2.gz JFGZZHGNXPVSJX-MRXNPFEDSA-N 1 3 322.443 4.098 20 0 DIADHO CC1(C)CC[C@@H]([N@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246954865 1059199669 /nfs/dbraw/zinc/19/96/69/1059199669.db2.gz JFGZZHGNXPVSJX-MRXNPFEDSA-N 1 3 322.443 4.098 20 0 DIADHO CC1(C)CC[C@@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CCNCC2)C1 ZINC001246954865 1059199681 /nfs/dbraw/zinc/19/96/81/1059199681.db2.gz JFGZZHGNXPVSJX-MRXNPFEDSA-N 1 3 322.443 4.098 20 0 DIADHO Cc1cc(F)ccc1C[N@H+]([C@H]1CCC(C)(C)C1)C1CCNCC1 ZINC001246961343 1059206750 /nfs/dbraw/zinc/20/67/50/1059206750.db2.gz QWAUUTCBWHYMSC-IBGZPJMESA-N 1 3 318.480 4.267 20 0 DIADHO Cc1cc(F)ccc1C[N@@H+]([C@H]1CCC(C)(C)C1)C1CCNCC1 ZINC001246961343 1059206766 /nfs/dbraw/zinc/20/67/66/1059206766.db2.gz QWAUUTCBWHYMSC-IBGZPJMESA-N 1 3 318.480 4.267 20 0 DIADHO CCCC[C@@H](C)[N@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001246963795 1059208441 /nfs/dbraw/zinc/20/84/41/1059208441.db2.gz ZAKRSCIAYZXKHS-MRXNPFEDSA-N 1 3 306.469 4.267 20 0 DIADHO CCCC[C@@H](C)[N@@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001246963795 1059208452 /nfs/dbraw/zinc/20/84/52/1059208452.db2.gz ZAKRSCIAYZXKHS-MRXNPFEDSA-N 1 3 306.469 4.267 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[N@H+](CCC)[C@H]1CCN[C@H](C)C1 ZINC001246975271 1059217280 /nfs/dbraw/zinc/21/72/80/1059217280.db2.gz BNSDPRXJMGOJIA-HOJAQTOUSA-N 1 3 302.506 4.250 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)[C@H]1CCN[C@H](C)C1 ZINC001246975271 1059217337 /nfs/dbraw/zinc/21/73/37/1059217337.db2.gz BNSDPRXJMGOJIA-HOJAQTOUSA-N 1 3 302.506 4.250 20 0 DIADHO CC(C)C[C@H](Cc1ccccc1)[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC001246976231 1059218146 /nfs/dbraw/zinc/21/81/46/1059218146.db2.gz VUIHINPCICEDHR-PZJWPPBQSA-N 1 3 314.517 4.108 20 0 DIADHO CC(C)C[C@H](Cc1ccccc1)[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC001246976231 1059218154 /nfs/dbraw/zinc/21/81/54/1059218154.db2.gz VUIHINPCICEDHR-PZJWPPBQSA-N 1 3 314.517 4.108 20 0 DIADHO Cc1ccc(SC[C@H](C)[N@H+](C2CCC2)C2CCNCC2)cc1 ZINC001246974231 1059219251 /nfs/dbraw/zinc/21/92/51/1059219251.db2.gz JPPOEOPVYLHYJQ-INIZCTEOSA-N 1 3 318.530 4.082 20 0 DIADHO Cc1ccc(SC[C@H](C)[N@@H+](C2CCC2)C2CCNCC2)cc1 ZINC001246974231 1059219272 /nfs/dbraw/zinc/21/92/72/1059219272.db2.gz JPPOEOPVYLHYJQ-INIZCTEOSA-N 1 3 318.530 4.082 20 0 DIADHO CC[C@H](Cc1ccccc1)[N@H+]([C@@H]1CCNC1)C1CCCCC1 ZINC001246977611 1059223163 /nfs/dbraw/zinc/22/31/63/1059223163.db2.gz ICWQZLUQGATBKY-UYAOXDASSA-N 1 3 300.490 4.004 20 0 DIADHO CC[C@H](Cc1ccccc1)[N@@H+]([C@@H]1CCNC1)C1CCCCC1 ZINC001246977611 1059223181 /nfs/dbraw/zinc/22/31/81/1059223181.db2.gz ICWQZLUQGATBKY-UYAOXDASSA-N 1 3 300.490 4.004 20 0 DIADHO Cc1ccccc1[C@H]1CCC[N@@H+]1[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001247001762 1059233410 /nfs/dbraw/zinc/23/34/10/1059233410.db2.gz KZIDPIJCQCPCJL-UHOSZYNNSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccccc1[C@H]1CCC[N@H+]1[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001247001762 1059233431 /nfs/dbraw/zinc/23/34/31/1059233431.db2.gz KZIDPIJCQCPCJL-UHOSZYNNSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1cc(F)ccc1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC001559482094 1059255187 /nfs/dbraw/zinc/25/51/87/1059255187.db2.gz PMCQSTBOWWCUHI-UHFFFAOYSA-N 1 3 318.480 4.222 20 0 DIADHO CC[C@H](CC(F)F)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001559524832 1059321165 /nfs/dbraw/zinc/32/11/65/1059321165.db2.gz RNMIFPCLJNKMKG-SJORKVTESA-N 1 3 316.480 4.256 20 0 DIADHO CN1CCCC[C@@H]1CC[N@H+](C)CCc1ccc2ccccc2c1 ZINC001559567566 1059390395 /nfs/dbraw/zinc/39/03/95/1059390395.db2.gz FRVWYACUWGLMHL-OAQYLSRUSA-N 1 3 310.485 4.189 20 0 DIADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCc1ccc2ccccc2c1 ZINC001559567566 1059390413 /nfs/dbraw/zinc/39/04/13/1059390413.db2.gz FRVWYACUWGLMHL-OAQYLSRUSA-N 1 3 310.485 4.189 20 0 DIADHO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCCN2CCCCC2)o1 ZINC001559568202 1059396567 /nfs/dbraw/zinc/39/65/67/1059396567.db2.gz RXRCPWMVKVFXCN-MJGOQNOKSA-N 1 3 318.505 4.491 20 0 DIADHO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCCN2CCCCC2)o1 ZINC001559568202 1059396550 /nfs/dbraw/zinc/39/65/50/1059396550.db2.gz RXRCPWMVKVFXCN-MJGOQNOKSA-N 1 3 318.505 4.491 20 0 DIADHO C[C@H](CCSc1ccccc1)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC001559568553 1059398941 /nfs/dbraw/zinc/39/89/41/1059398941.db2.gz ZQECWUJTIONOKJ-QZTJIDSGSA-N 1 3 320.546 4.364 20 0 DIADHO C[C@H](CCSc1ccccc1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC001559568553 1059398961 /nfs/dbraw/zinc/39/89/61/1059398961.db2.gz ZQECWUJTIONOKJ-QZTJIDSGSA-N 1 3 320.546 4.364 20 0 DIADHO CCc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC001559594118 1059429949 /nfs/dbraw/zinc/42/99/49/1059429949.db2.gz JKNMWNGOGKIIGM-UGKGYDQZSA-N 1 3 322.496 4.318 20 0 DIADHO CCc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC001559594118 1059429963 /nfs/dbraw/zinc/42/99/63/1059429963.db2.gz JKNMWNGOGKIIGM-UGKGYDQZSA-N 1 3 322.496 4.318 20 0 DIADHO c1ccc(CNC2CC[NH+](Cc3ccccc3C3CC3)CC2)cc1 ZINC001559853107 1059676688 /nfs/dbraw/zinc/67/66/88/1059676688.db2.gz OOROHUXRCFFYIA-UHFFFAOYSA-N 1 3 320.480 4.318 20 0 DIADHO C[NH+](C)CCCOc1ccc(Nc2ccnc(C3CC3)c2)cc1 ZINC001248411077 1059818678 /nfs/dbraw/zinc/81/86/78/1059818678.db2.gz MCBRBDQGOUPSES-UHFFFAOYSA-N 1 3 311.429 4.033 20 0 DIADHO CCc1cccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC001560418390 1060202262 /nfs/dbraw/zinc/20/22/62/1060202262.db2.gz LLWWTACPDANILN-AVRDEDQJSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1cccc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001560418390 1060202278 /nfs/dbraw/zinc/20/22/78/1060202278.db2.gz LLWWTACPDANILN-AVRDEDQJSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1cccc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001560418390 1060202297 /nfs/dbraw/zinc/20/22/97/1060202297.db2.gz LLWWTACPDANILN-AVRDEDQJSA-N 1 3 322.496 4.249 20 0 DIADHO CN1CCCC[C@H](C[NH2+]Cc2ccc(-c3ccccc3)s2)C1 ZINC001560534424 1060337859 /nfs/dbraw/zinc/33/78/59/1060337859.db2.gz ZZWJXGYIKIGGGK-MRXNPFEDSA-N 1 3 314.498 4.237 20 0 DIADHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001560704053 1060560020 /nfs/dbraw/zinc/56/00/20/1060560020.db2.gz WFPCYNMBBPOMEU-KPACCLEDSA-N 1 3 312.501 4.065 20 0 DIADHO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CC[C@@H](C)N2CCCCC2)cc1 ZINC001560751624 1060618243 /nfs/dbraw/zinc/61/82/43/1060618243.db2.gz USQQUGYIDDSGPQ-HLAWJBBLSA-N 1 3 314.517 4.485 20 0 DIADHO C[C@H](Cc1ccc(F)cc1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001560791547 1060652544 /nfs/dbraw/zinc/65/25/44/1060652544.db2.gz LUZJQUISLZIYPM-OXQOHEQNSA-N 1 3 318.480 4.143 20 0 DIADHO C[C@H](Cc1ccc(F)cc1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001560791547 1060652549 /nfs/dbraw/zinc/65/25/49/1060652549.db2.gz LUZJQUISLZIYPM-OXQOHEQNSA-N 1 3 318.480 4.143 20 0 DIADHO CC[N@@H+](C/C=C\c1cc(C)c(C)cc1C)CCCN1CCCC1 ZINC001560811657 1060671400 /nfs/dbraw/zinc/67/14/00/1060671400.db2.gz SKGYLOVHYMXFFY-NTMALXAHSA-N 1 3 314.517 4.433 20 0 DIADHO CC[N@H+](C/C=C\c1cc(C)c(C)cc1C)CCCN1CCCC1 ZINC001560811657 1060671410 /nfs/dbraw/zinc/67/14/10/1060671410.db2.gz SKGYLOVHYMXFFY-NTMALXAHSA-N 1 3 314.517 4.433 20 0 DIADHO C[C@@H]1CC[C@@H]1[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001560820956 1060679269 /nfs/dbraw/zinc/67/92/69/1060679269.db2.gz ZWRAMUBINMOPLK-SLYNCCJLSA-N 1 3 314.517 4.313 20 0 DIADHO CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC001560950856 1060816251 /nfs/dbraw/zinc/81/62/51/1060816251.db2.gz PTKGSQUZQNKKMA-LEWJYISDSA-N 1 3 314.517 4.028 20 0 DIADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC001561055460 1060903806 /nfs/dbraw/zinc/90/38/06/1060903806.db2.gz ZLVZOMKTBRNVDH-QZTJIDSGSA-N 1 3 304.522 4.453 20 0 DIADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC001561055458 1060904176 /nfs/dbraw/zinc/90/41/76/1060904176.db2.gz ZLVZOMKTBRNVDH-MSOLQXFVSA-N 1 3 304.522 4.453 20 0 DIADHO CCN(CC)CC[C@H](C)[NH2+]C1CC(Sc2ccccc2)C1 ZINC001561055515 1060905732 /nfs/dbraw/zinc/90/57/32/1060905732.db2.gz OCLHJAIKLJOYSL-HJOIGYKYSA-N 1 3 306.519 4.020 20 0 DIADHO CCC(C)(C)c1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC001473220527 1060996097 /nfs/dbraw/zinc/99/60/97/1060996097.db2.gz WTAYHURTRGRBMN-QUCCMNQESA-N 1 3 314.517 4.290 20 0 DIADHO CCC(C)(C)c1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC001473220527 1060996116 /nfs/dbraw/zinc/99/61/16/1060996116.db2.gz WTAYHURTRGRBMN-QUCCMNQESA-N 1 3 314.517 4.290 20 0 DIADHO CC(C)CCN1CCC([NH2+][C@@H]2CCCc3c(F)cccc32)CC1 ZINC001462294996 1061086328 /nfs/dbraw/zinc/08/63/28/1061086328.db2.gz OEOZIGPSSUNNMZ-HXUWFJFHSA-N 1 3 318.480 4.303 20 0 DIADHO CC[N@H+](CCCNC[C@H]1CCc2ccccc21)C1CCCCC1 ZINC001462408224 1061153761 /nfs/dbraw/zinc/15/37/61/1061153761.db2.gz NRAPVXPOTPQKEM-LJQANCHMSA-N 1 3 314.517 4.351 20 0 DIADHO CC[N@@H+](CCCNC[C@H]1CCc2ccccc21)C1CCCCC1 ZINC001462408224 1061153769 /nfs/dbraw/zinc/15/37/69/1061153769.db2.gz NRAPVXPOTPQKEM-LJQANCHMSA-N 1 3 314.517 4.351 20 0 DIADHO CC[N@H+](CCCN[C@H]1C[C@H](OC(C)C)C1(C)C)C1CCCCC1 ZINC001462408116 1061154714 /nfs/dbraw/zinc/15/47/14/1061154714.db2.gz MHAXTOCVKUHMMM-OALUTQOASA-N 1 3 324.553 4.213 20 0 DIADHO CC[N@@H+](CCCN[C@H]1C[C@H](OC(C)C)C1(C)C)C1CCCCC1 ZINC001462408116 1061154721 /nfs/dbraw/zinc/15/47/21/1061154721.db2.gz MHAXTOCVKUHMMM-OALUTQOASA-N 1 3 324.553 4.213 20 0 DIADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)Cc1coc2ccccc12 ZINC001462673293 1061330898 /nfs/dbraw/zinc/33/08/98/1061330898.db2.gz LYRDLIRHWJACHA-JKSUJKDBSA-N 1 3 302.462 4.074 20 0 DIADHO C[N@@H+]1CC[C@@H](N[C@H](Cc2ccccc2)c2ccccc2)CC1(C)C ZINC001473921466 1061469939 /nfs/dbraw/zinc/46/99/39/1061469939.db2.gz MRCDLQQFXVQKDS-NHCUHLMSSA-N 1 3 322.496 4.433 20 0 DIADHO C[N@H+]1CC[C@@H](N[C@H](Cc2ccccc2)c2ccccc2)CC1(C)C ZINC001473921466 1061469943 /nfs/dbraw/zinc/46/99/43/1061469943.db2.gz MRCDLQQFXVQKDS-NHCUHLMSSA-N 1 3 322.496 4.433 20 0 DIADHO C[C@@H](CC[NH+](C)C)NCc1cccc(-c2ccc(Cl)cc2)c1 ZINC001473968521 1061511995 /nfs/dbraw/zinc/51/19/95/1061511995.db2.gz ZMQCIUYDKCBZTD-HNNXBMFYSA-N 1 3 316.876 4.437 20 0 DIADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)C1 ZINC001474209901 1061767266 /nfs/dbraw/zinc/76/72/66/1061767266.db2.gz KKEUPYNNDSHQRD-GIVPXCGWSA-N 1 3 314.517 4.424 20 0 DIADHO C[C@@H](CC[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1)N(C)C ZINC001474224287 1061784763 /nfs/dbraw/zinc/78/47/63/1061784763.db2.gz NELVMBBPNWILDG-ZDUSSCGKSA-N 1 3 322.905 4.498 20 0 DIADHO CC(C)CCN1CCC([NH2+][C@@H]2c3ccccc3CC[C@H]2C)CC1 ZINC001474393299 1062044830 /nfs/dbraw/zinc/04/48/30/1062044830.db2.gz NHJSFWFJXWXDCB-UTKZUKDTSA-N 1 3 314.517 4.410 20 0 DIADHO CC(C)CC[NH+]1CCC(N[C@@H]2c3ccccc3CC[C@H]2C)CC1 ZINC001474393299 1062044850 /nfs/dbraw/zinc/04/48/50/1062044850.db2.gz NHJSFWFJXWXDCB-UTKZUKDTSA-N 1 3 314.517 4.410 20 0 DIADHO C1=CC[C@@H](CN2CCC([NH2+]C3CCC4(CC4)CC3)CC2)CC1 ZINC001254440019 1062102068 /nfs/dbraw/zinc/10/20/68/1062102068.db2.gz LRYNQGBHXPBGDX-QGZVFWFLSA-N 1 3 302.506 4.120 20 0 DIADHO C[N@@H+]1CCC[C@@H](N[C@H](CC2CCC2)c2cccc(F)c2)CC1 ZINC001254509968 1062149921 /nfs/dbraw/zinc/14/99/21/1062149921.db2.gz KSVWVYLXWFYKJX-RTBURBONSA-N 1 3 304.453 4.131 20 0 DIADHO C[N@H+]1CCC[C@@H](N[C@H](CC2CCC2)c2cccc(F)c2)CC1 ZINC001254509968 1062149927 /nfs/dbraw/zinc/14/99/27/1062149927.db2.gz KSVWVYLXWFYKJX-RTBURBONSA-N 1 3 304.453 4.131 20 0 DIADHO CC[C@@H](N[C@@H]1CCC[N@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC001254510122 1062150690 /nfs/dbraw/zinc/15/06/90/1062150690.db2.gz RXPGPUMDVMCHOW-HZPDHXFCSA-N 1 3 314.395 4.230 20 0 DIADHO CC[C@@H](N[C@@H]1CCC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC001254510122 1062150705 /nfs/dbraw/zinc/15/07/05/1062150705.db2.gz RXPGPUMDVMCHOW-HZPDHXFCSA-N 1 3 314.395 4.230 20 0 DIADHO C[N@@H+]1CCC[C@H](N[C@H](CC2CCC2)c2cccc(F)c2)CC1 ZINC001254509967 1062151487 /nfs/dbraw/zinc/15/14/87/1062151487.db2.gz KSVWVYLXWFYKJX-RBUKOAKNSA-N 1 3 304.453 4.131 20 0 DIADHO C[N@H+]1CCC[C@H](N[C@H](CC2CCC2)c2cccc(F)c2)CC1 ZINC001254509967 1062151505 /nfs/dbraw/zinc/15/15/05/1062151505.db2.gz KSVWVYLXWFYKJX-RBUKOAKNSA-N 1 3 304.453 4.131 20 0 DIADHO CN1CCC[C@H]([N@H+](C)Cc2ccccc2Oc2ccccc2)CC1 ZINC001254530448 1062161254 /nfs/dbraw/zinc/16/12/54/1062161254.db2.gz YKGCTHLLACGIAC-IBGZPJMESA-N 1 3 324.468 4.395 20 0 DIADHO CN1CCC[C@H]([N@@H+](C)Cc2ccccc2Oc2ccccc2)CC1 ZINC001254530448 1062161273 /nfs/dbraw/zinc/16/12/73/1062161273.db2.gz YKGCTHLLACGIAC-IBGZPJMESA-N 1 3 324.468 4.395 20 0 DIADHO CN1CCC[C@@H]([N@H+](C)Cc2ccccc2Oc2ccccc2)CC1 ZINC001254530449 1062162061 /nfs/dbraw/zinc/16/20/61/1062162061.db2.gz YKGCTHLLACGIAC-LJQANCHMSA-N 1 3 324.468 4.395 20 0 DIADHO CN1CCC[C@@H]([N@@H+](C)Cc2ccccc2Oc2ccccc2)CC1 ZINC001254530449 1062162068 /nfs/dbraw/zinc/16/20/68/1062162068.db2.gz YKGCTHLLACGIAC-LJQANCHMSA-N 1 3 324.468 4.395 20 0 DIADHO CN1CCCC[C@@H]1CC[N@H+](C)[C@H]1CCc2c1cccc2Cl ZINC001459571129 1062215857 /nfs/dbraw/zinc/21/58/57/1062215857.db2.gz FAELUBCFPQIXBO-KDOFPFPSSA-N 1 3 306.881 4.134 20 0 DIADHO CN1CCCC[C@@H]1CC[N@@H+](C)[C@H]1CCc2c1cccc2Cl ZINC001459571129 1062215880 /nfs/dbraw/zinc/21/58/80/1062215880.db2.gz FAELUBCFPQIXBO-KDOFPFPSSA-N 1 3 306.881 4.134 20 0 DIADHO CN(C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)C1CCC1 ZINC001459581611 1062225448 /nfs/dbraw/zinc/22/54/48/1062225448.db2.gz UGWGCIPEEPWAMP-NRFANRHFSA-N 1 3 322.496 4.387 20 0 DIADHO CN(C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)C1CCC1 ZINC001459581611 1062225475 /nfs/dbraw/zinc/22/54/75/1062225475.db2.gz UGWGCIPEEPWAMP-NRFANRHFSA-N 1 3 322.496 4.387 20 0 DIADHO CC[N@@H+]1CC[C@@H](N(C)CCSc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001459665688 1062282696 /nfs/dbraw/zinc/28/26/96/1062282696.db2.gz FIZDRKBSOGZZDV-IEBWSBKVSA-N 1 3 320.546 4.058 20 0 DIADHO CC[N@H+]1CC[C@@H](N(C)CCSc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001459665688 1062282719 /nfs/dbraw/zinc/28/27/19/1062282719.db2.gz FIZDRKBSOGZZDV-IEBWSBKVSA-N 1 3 320.546 4.058 20 0 DIADHO CC[N@@H+]1CC[C@H](N(C)CCSc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001459665699 1062283609 /nfs/dbraw/zinc/28/36/09/1062283609.db2.gz FIZDRKBSOGZZDV-MJGOQNOKSA-N 1 3 320.546 4.058 20 0 DIADHO CC[N@H+]1CC[C@H](N(C)CCSc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001459665699 1062283628 /nfs/dbraw/zinc/28/36/28/1062283628.db2.gz FIZDRKBSOGZZDV-MJGOQNOKSA-N 1 3 320.546 4.058 20 0 DIADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc(C(C)(C)C)c2)[C@@H](C)C1 ZINC001459668630 1062287898 /nfs/dbraw/zinc/28/78/98/1062287898.db2.gz LVNKDMUUCKRVEI-LPHOPBHVSA-N 1 3 302.506 4.146 20 0 DIADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc(C(C)(C)C)c2)[C@@H](C)C1 ZINC001459668630 1062287908 /nfs/dbraw/zinc/28/79/08/1062287908.db2.gz LVNKDMUUCKRVEI-LPHOPBHVSA-N 1 3 302.506 4.146 20 0 DIADHO CC(C)(C)N1CCC([NH2+]CC2CCc3ccccc3CC2)CC1 ZINC001474642048 1062367749 /nfs/dbraw/zinc/36/77/49/1062367749.db2.gz ARYIDJCAGIPQNC-UHFFFAOYSA-N 1 3 314.517 4.034 20 0 DIADHO CCSc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)CN(C)C)c1 ZINC001474646018 1062371431 /nfs/dbraw/zinc/37/14/31/1062371431.db2.gz APSIBTSXABVMCY-LPHOPBHVSA-N 1 3 320.546 4.351 20 0 DIADHO CCSc1cccc(C[N@H+]2CCCC[C@H]2[C@@H](C)CN(C)C)c1 ZINC001474646018 1062371453 /nfs/dbraw/zinc/37/14/53/1062371453.db2.gz APSIBTSXABVMCY-LPHOPBHVSA-N 1 3 320.546 4.351 20 0 DIADHO CCSc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)CN(C)C)c1 ZINC001474646025 1062373026 /nfs/dbraw/zinc/37/30/26/1062373026.db2.gz APSIBTSXABVMCY-VQIMIIECSA-N 1 3 320.546 4.351 20 0 DIADHO CCSc1cccc(C[N@H+]2CCCC[C@@H]2[C@H](C)CN(C)C)c1 ZINC001474646025 1062373044 /nfs/dbraw/zinc/37/30/44/1062373044.db2.gz APSIBTSXABVMCY-VQIMIIECSA-N 1 3 320.546 4.351 20 0 DIADHO CCCC[C@H](C)[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001255317403 1062396226 /nfs/dbraw/zinc/39/62/26/1062396226.db2.gz NQVVBVLNVVKJSR-INIZCTEOSA-N 1 3 306.469 4.206 20 0 DIADHO CC(C)(C)[C@]1(C[NH+]2CC(C)(C)C2)CCN(Cc2ccccc2)C1 ZINC001474669087 1062399966 /nfs/dbraw/zinc/39/99/66/1062399966.db2.gz WDKBXTILKIVONV-OAQYLSRUSA-N 1 3 314.517 4.267 20 0 DIADHO C[C@@H](N[C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255384088 1062422754 /nfs/dbraw/zinc/42/27/54/1062422754.db2.gz SVRMWCHNXKXDEU-NQIIRXRSSA-N 1 3 308.469 4.392 20 0 DIADHO C[C@@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255384088 1062422767 /nfs/dbraw/zinc/42/27/67/1062422767.db2.gz SVRMWCHNXKXDEU-NQIIRXRSSA-N 1 3 308.469 4.392 20 0 DIADHO c1ccc(CN2CCC[C@H]([N@@H+]3CC[C@@H]4CCC[C@@H]4C3)CC2)cc1 ZINC001255400041 1062434354 /nfs/dbraw/zinc/43/43/54/1062434354.db2.gz DCPSMGCIIXEOBV-HBMCJLEFSA-N 1 3 312.501 4.163 20 0 DIADHO c1ccc(CN2CCC[C@H]([N@H+]3CC[C@@H]4CCC[C@@H]4C3)CC2)cc1 ZINC001255400041 1062434359 /nfs/dbraw/zinc/43/43/59/1062434359.db2.gz DCPSMGCIIXEOBV-HBMCJLEFSA-N 1 3 312.501 4.163 20 0 DIADHO FC(F)[C@H]1CCCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255406124 1062441213 /nfs/dbraw/zinc/44/12/13/1062441213.db2.gz PCSXIUBRWDOTAV-ROUUACIJSA-N 1 3 322.443 4.018 20 0 DIADHO FC(F)[C@H]1CCCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255406124 1062441221 /nfs/dbraw/zinc/44/12/21/1062441221.db2.gz PCSXIUBRWDOTAV-ROUUACIJSA-N 1 3 322.443 4.018 20 0 DIADHO [NH3+]C1(CC2CCC2)CCN([C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001255699567 1062526756 /nfs/dbraw/zinc/52/67/56/1062526756.db2.gz KGBKRYVYEQCFFW-HUUCEWRRSA-N 1 3 318.427 4.091 20 0 DIADHO Cc1ccc(SC[C@@H](C)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC001255759626 1062583816 /nfs/dbraw/zinc/58/38/16/1062583816.db2.gz ZTKONKHGZSFDHB-MRXNPFEDSA-N 1 3 318.530 4.082 20 0 DIADHO Cc1ccc(C[C@@H](C)[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)cc1 ZINC001255780752 1062603526 /nfs/dbraw/zinc/60/35/26/1062603526.db2.gz QLCCTGFUMPMVLD-MRXNPFEDSA-N 1 3 302.506 4.167 20 0 DIADHO C[C@H](Cc1ccccc1F)[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001255851466 1062632427 /nfs/dbraw/zinc/63/24/27/1062632427.db2.gz OYLMPLXLZZREKL-MJGOQNOKSA-N 1 3 318.480 4.097 20 0 DIADHO C[C@H](Cc1ccccc1F)[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001255851466 1062632434 /nfs/dbraw/zinc/63/24/34/1062632434.db2.gz OYLMPLXLZZREKL-MJGOQNOKSA-N 1 3 318.480 4.097 20 0 DIADHO C[C@H](Cc1ccc(F)cc1)[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001255878198 1062650256 /nfs/dbraw/zinc/65/02/56/1062650256.db2.gz MTAKZYMMEIQGEI-UXPWSPDFSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@H](Cc1ccc(F)cc1)[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001255878198 1062650271 /nfs/dbraw/zinc/65/02/71/1062650271.db2.gz MTAKZYMMEIQGEI-UXPWSPDFSA-N 1 3 318.480 4.096 20 0 DIADHO CCN(CC)CC[C@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC001255945559 1062665073 /nfs/dbraw/zinc/66/50/73/1062665073.db2.gz GMRHRWDJRJPLMQ-HNNXBMFYSA-N 1 3 308.897 4.082 20 0 DIADHO CCN(CC)CC[C@H](C)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC001255949572 1062669324 /nfs/dbraw/zinc/66/93/24/1062669324.db2.gz YRGKEUSRDNUIIU-NFOMZHRRSA-N 1 3 308.432 4.065 20 0 DIADHO C[C@@H]1C[C@H](N2Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256539865 1062864836 /nfs/dbraw/zinc/86/48/36/1062864836.db2.gz YNNIAIQDAFXWKQ-DYESRHJHSA-N 1 3 306.453 4.055 20 0 DIADHO C[C@@H]1C[C@H](N2Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC001256539865 1062864857 /nfs/dbraw/zinc/86/48/57/1062864857.db2.gz YNNIAIQDAFXWKQ-DYESRHJHSA-N 1 3 306.453 4.055 20 0 DIADHO Cc1cccc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001256538661 1062865283 /nfs/dbraw/zinc/86/52/83/1062865283.db2.gz UZQKEQNVACIMAO-DENIHFKCSA-N 1 3 322.496 4.480 20 0 DIADHO Cc1cccc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001256538661 1062865299 /nfs/dbraw/zinc/86/52/99/1062865299.db2.gz UZQKEQNVACIMAO-DENIHFKCSA-N 1 3 322.496 4.480 20 0 DIADHO C[C@H]1C[C@H](N2CC3(C2)CCCCC3)CC[N@@H+]1Cc1ccccc1 ZINC001256553993 1062876213 /nfs/dbraw/zinc/87/62/13/1062876213.db2.gz MYZHTRJUKJNYGK-AZUAARDMSA-N 1 3 312.501 4.306 20 0 DIADHO C[C@H]1C[C@H](N2CC3(C2)CCCCC3)CC[N@H+]1Cc1ccccc1 ZINC001256553993 1062876235 /nfs/dbraw/zinc/87/62/35/1062876235.db2.gz MYZHTRJUKJNYGK-AZUAARDMSA-N 1 3 312.501 4.306 20 0 DIADHO C[C@@H]1C[C@@H](N2CC3(C2)CCCCC3)CC[N@@H+]1Cc1ccccc1 ZINC001256553995 1062878264 /nfs/dbraw/zinc/87/82/64/1062878264.db2.gz MYZHTRJUKJNYGK-QUCCMNQESA-N 1 3 312.501 4.306 20 0 DIADHO C[C@@H]1C[C@@H](N2CC3(C2)CCCCC3)CC[N@H+]1Cc1ccccc1 ZINC001256553995 1062878282 /nfs/dbraw/zinc/87/82/82/1062878282.db2.gz MYZHTRJUKJNYGK-QUCCMNQESA-N 1 3 312.501 4.306 20 0 DIADHO CC[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cc(F)cc(F)c1 ZINC001256566472 1062890058 /nfs/dbraw/zinc/89/00/58/1062890058.db2.gz KQZHTKGSXHYULX-QGZVFWFLSA-N 1 3 310.432 4.268 20 0 DIADHO CC(C)(C)[NH+]1CCC(N2CCC(C)(c3ccccc3)CC2)CC1 ZINC001256576234 1062898935 /nfs/dbraw/zinc/89/89/35/1062898935.db2.gz BMCMFVSYOAMNEV-UHFFFAOYSA-N 1 3 314.517 4.303 20 0 DIADHO CC(C)[NH+]1CCC(N2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC001257215773 1063143059 /nfs/dbraw/zinc/14/30/59/1063143059.db2.gz YVWBWVUEFAKWDF-UHFFFAOYSA-N 1 3 320.908 4.392 20 0 DIADHO CCC[C@H](CC)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001257265435 1063169306 /nfs/dbraw/zinc/16/93/06/1063169306.db2.gz DREBPNQYLWFGHX-IBGZPJMESA-N 1 3 300.490 4.163 20 0 DIADHO CCC[C@@H](C)N1CCC([NH3+])(c2ccccc2C(F)(F)F)CC1 ZINC001257310972 1063196515 /nfs/dbraw/zinc/19/65/15/1063196515.db2.gz HFKPHQKKVSJAOW-CYBMUJFWSA-N 1 3 314.395 4.144 20 0 DIADHO CCC[C@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001257311026 1063197295 /nfs/dbraw/zinc/19/72/95/1063197295.db2.gz IAJOTAYGUKNRNG-HNNXBMFYSA-N 1 3 308.897 4.330 20 0 DIADHO C[NH+](C)CCCCCCCNCc1ncc(C(C)(C)C)s1 ZINC001461113531 1063262367 /nfs/dbraw/zinc/26/23/67/1063262367.db2.gz UCLVOBBLERXBRX-UHFFFAOYSA-N 1 3 311.539 4.042 20 0 DIADHO CCCCCC[C@@H](C)N1CCC([NH3+])(c2ccc(OC)cc2)CC1 ZINC001257358499 1063228011 /nfs/dbraw/zinc/22/80/11/1063228011.db2.gz FPZFBUOPZBZHRG-QGZVFWFLSA-N 1 3 318.505 4.304 20 0 DIADHO CCCCCC[C@@H](C)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001257357308 1063228350 /nfs/dbraw/zinc/22/83/50/1063228350.db2.gz MEIFPATVPXWFOO-GOSISDBHSA-N 1 3 317.521 4.242 20 0 DIADHO C(C1CCCCC1)N1CCC([NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC001461131321 1063282723 /nfs/dbraw/zinc/28/27/23/1063282723.db2.gz OKICVEBUGDWINE-OPVJXMOQSA-N 1 3 304.522 4.199 20 0 DIADHO CCC[C@@H](C[NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccccc1 ZINC001461170805 1063308338 /nfs/dbraw/zinc/30/83/38/1063308338.db2.gz MVGMKCZSPNHLCU-QUCCMNQESA-N 1 3 302.506 4.280 20 0 DIADHO C[NH+](C)CC[C@H](NCc1ccc(C2CCC2)cc1)C(C)(C)C ZINC001461192895 1063324480 /nfs/dbraw/zinc/32/44/80/1063324480.db2.gz MLEYSNAKPGMDGQ-IBGZPJMESA-N 1 3 302.506 4.410 20 0 DIADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC001257993972 1063451541 /nfs/dbraw/zinc/45/15/41/1063451541.db2.gz DTWMMBKZENUVKT-GHBBCFCZSA-N 1 3 300.490 4.175 20 0 DIADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC001257993973 1063453228 /nfs/dbraw/zinc/45/32/28/1063453228.db2.gz DTWMMBKZENUVKT-GUMHCPJTSA-N 1 3 300.490 4.175 20 0 DIADHO CCC[C@H]([NH2+]C1CCN(CC(C)C)CC1)c1cccc(F)c1 ZINC001258006675 1063462002 /nfs/dbraw/zinc/46/20/02/1063462002.db2.gz KQPGBZOBULTRLU-IBGZPJMESA-N 1 3 306.469 4.377 20 0 DIADHO CC(C)CN1CCC([NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC001258008628 1063462678 /nfs/dbraw/zinc/46/26/78/1063462678.db2.gz AMFCWHYMSOBJSC-LJQANCHMSA-N 1 3 320.908 4.427 20 0 DIADHO CC(C)CN1CCC([NH2+]CCCCc2ccc(Cl)cc2)CC1 ZINC001258008002 1063463314 /nfs/dbraw/zinc/46/33/14/1063463314.db2.gz YOJSZXFCYNVACO-UHFFFAOYSA-N 1 3 322.924 4.373 20 0 DIADHO CC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccc(C)cc1C ZINC001258008350 1063463649 /nfs/dbraw/zinc/46/36/49/1063463649.db2.gz OFCGXPJYLRXOLB-HXUWFJFHSA-N 1 3 302.506 4.465 20 0 DIADHO CC[C@@H](NC1CC[NH+](CC(C)C)CC1)c1ccc(C)cc1C ZINC001258008350 1063463654 /nfs/dbraw/zinc/46/36/54/1063463654.db2.gz OFCGXPJYLRXOLB-HXUWFJFHSA-N 1 3 302.506 4.465 20 0 DIADHO CCc1ccc2ccccc2c1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC001473178062 1063486595 /nfs/dbraw/zinc/48/65/95/1063486595.db2.gz VNABJVHKVXKWMW-GOSISDBHSA-N 1 3 322.496 4.320 20 0 DIADHO CCc1ccc2ccccc2c1C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC001473178062 1063486611 /nfs/dbraw/zinc/48/66/11/1063486611.db2.gz VNABJVHKVXKWMW-GOSISDBHSA-N 1 3 322.496 4.320 20 0 DIADHO CCc1ccc2ccccc2c1C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC001473178062 1063486626 /nfs/dbraw/zinc/48/66/26/1063486626.db2.gz VNABJVHKVXKWMW-GOSISDBHSA-N 1 3 322.496 4.320 20 0 DIADHO COc1cccc(C2([NH3+])CCN([C@H](C)CCC=C(C)C)CC2)c1 ZINC001258088862 1063513332 /nfs/dbraw/zinc/51/33/32/1063513332.db2.gz WUWGDEGVMNJNOR-QGZVFWFLSA-N 1 3 316.489 4.080 20 0 DIADHO CC1(C)CCC[C@@H]([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)C1 ZINC001258281825 1063585186 /nfs/dbraw/zinc/58/51/86/1063585186.db2.gz BXGRGDJTPMYPBA-IEBWSBKVSA-N 1 3 304.522 4.366 20 0 DIADHO CC1(C)CCC[C@@H]([NH+]2CCC(N)(Cc3ccc(F)cc3)CC2)C1 ZINC001258282077 1063586227 /nfs/dbraw/zinc/58/62/27/1063586227.db2.gz TZHXXPMJFCFZHD-GOSISDBHSA-N 1 3 318.480 4.130 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[NH+]1CCC(N(C)C)CC1 ZINC001258307194 1063604162 /nfs/dbraw/zinc/60/41/62/1063604162.db2.gz WREFQEHDBFSEBY-OAHLLOKOSA-N 1 3 324.534 4.096 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)N1CCC([NH+](C)C)CC1 ZINC001258307194 1063604169 /nfs/dbraw/zinc/60/41/69/1063604169.db2.gz WREFQEHDBFSEBY-OAHLLOKOSA-N 1 3 324.534 4.096 20 0 DIADHO CSC(C)(C)C[C@@H](C)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001258315017 1063606665 /nfs/dbraw/zinc/60/66/65/1063606665.db2.gz JKYSZCIOQVOLOH-NVXWUHKLSA-N 1 3 308.535 4.189 20 0 DIADHO CC(C)(C)C1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC001461666396 1063647644 /nfs/dbraw/zinc/64/76/44/1063647644.db2.gz XOBREFQDAZVKES-LMDPOFIKSA-N 1 3 306.538 4.303 20 0 DIADHO CCC[C@H](Cc1ccccc1)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001258661079 1063731600 /nfs/dbraw/zinc/73/16/00/1063731600.db2.gz NRNQIORFZSTJNV-HXUWFJFHSA-N 1 3 314.517 4.348 20 0 DIADHO CCCCC[C@@H](CCC)[NH+]1CCC(N)(Cc2cccnc2)CC1 ZINC001258666335 1063732654 /nfs/dbraw/zinc/73/26/54/1063732654.db2.gz GTFUAXLOULOZKV-LJQANCHMSA-N 1 3 317.521 4.166 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[NH+]1C[C@@H]2CN(CCC)C[C@H]2C1 ZINC001258713160 1063769276 /nfs/dbraw/zinc/76/92/76/1063769276.db2.gz DBBLFMYSZQESHW-PCCBWWKXSA-N 1 3 314.517 4.062 20 0 DIADHO CCC[NH+]1CCC(N2CCC[C@@H]2c2ccccc2SC)CC1 ZINC001258776131 1063815304 /nfs/dbraw/zinc/81/53/04/1063815304.db2.gz UTTFGXZJCMWGNH-GOSISDBHSA-N 1 3 318.530 4.420 20 0 DIADHO CC[C@@H](C)C[C@@H](CC)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001258784682 1063820861 /nfs/dbraw/zinc/82/08/61/1063820861.db2.gz SESADLUXPHUZHQ-IEBWSBKVSA-N 1 3 317.521 4.098 20 0 DIADHO CC[C@H](C[C@@H](C)CC)[NH+]1CCC(N)(Cc2ccc(F)cc2)CC1 ZINC001258786054 1063822911 /nfs/dbraw/zinc/82/29/11/1063822911.db2.gz JZZWMIWVGUSECO-QFBILLFUSA-N 1 3 320.496 4.376 20 0 DIADHO CC[C@@H](C)C[C@@H](CC)[NH+]1CCC(N)(Cc2ccccc2)CC1 ZINC001258785879 1063824001 /nfs/dbraw/zinc/82/40/01/1063824001.db2.gz JPQLJCQZMNCJEM-IEBWSBKVSA-N 1 3 302.506 4.237 20 0 DIADHO CC[NH+](CC)CCC[C@@H](C)NCc1c(F)ccc(C)c1Cl ZINC001258898367 1063874348 /nfs/dbraw/zinc/87/43/48/1063874348.db2.gz JIBPMKFLXZZCST-CQSZACIVSA-N 1 3 314.876 4.388 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)NCc1c(F)ccc(C)c1Cl ZINC001258898366 1063874701 /nfs/dbraw/zinc/87/47/01/1063874701.db2.gz JIBPMKFLXZZCST-AWEZNQCLSA-N 1 3 314.876 4.388 20 0 DIADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H](c1ncccc1Cl)C1CC1 ZINC001258904689 1063878771 /nfs/dbraw/zinc/87/87/71/1063878771.db2.gz KCVHMMGJXVQUFK-RHSMWYFYSA-N 1 3 323.912 4.286 20 0 DIADHO Cc1cccc(-c2ccc(CNC3CC[NH+](C4CC4)CC3)cc2)c1 ZINC001462071549 1063914166 /nfs/dbraw/zinc/91/41/66/1063914166.db2.gz MJNQZRGAJVORMC-UHFFFAOYSA-N 1 3 320.480 4.378 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CNCc1cc(F)ccc1C ZINC000378954284 1063981081 /nfs/dbraw/zinc/98/10/81/1063981081.db2.gz KHOGATSUYPENEC-UHFFFAOYSA-N 1 3 314.448 4.266 20 0 DIADHO Cc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000379646687 1063985976 /nfs/dbraw/zinc/98/59/76/1063985976.db2.gz FYQJUTVCQQNSOE-XMSQKQJNSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000379646687 1063985981 /nfs/dbraw/zinc/98/59/81/1063985981.db2.gz FYQJUTVCQQNSOE-XMSQKQJNSA-N 1 3 322.496 4.446 20 0 DIADHO CC1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000381776098 1063992878 /nfs/dbraw/zinc/99/28/78/1063992878.db2.gz CYABKXIPQZSVFI-OSAJVMOISA-N 1 3 312.501 4.065 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CNCc1cc(C)ccc1C ZINC000393490862 1064283555 /nfs/dbraw/zinc/28/35/55/1064283555.db2.gz TZSGUYBUDISDMR-UHFFFAOYSA-N 1 3 310.485 4.435 20 0 DIADHO CCCCC[N@@H+]1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC000653861645 1064723447 /nfs/dbraw/zinc/72/34/47/1064723447.db2.gz AUCIROLPUVZRPC-MTQWCTHYSA-N 1 3 302.506 4.072 20 0 DIADHO CCCCC[N@H+]1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC000653861645 1064723459 /nfs/dbraw/zinc/72/34/59/1064723459.db2.gz AUCIROLPUVZRPC-MTQWCTHYSA-N 1 3 302.506 4.072 20 0 DIADHO CCN(C)C[C@H]1CC[N@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC001307514889 1065454113 /nfs/dbraw/zinc/45/41/13/1065454113.db2.gz WWJPJMQMORSDMZ-OBXNSHGQSA-N 1 3 314.517 4.234 20 0 DIADHO CCN(C)C[C@H]1CC[N@@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC001307514889 1065454120 /nfs/dbraw/zinc/45/41/20/1065454120.db2.gz WWJPJMQMORSDMZ-OBXNSHGQSA-N 1 3 314.517 4.234 20 0 DIADHO Cc1cc(C)c([C@@H](C)[N@@H+]2CCCN(c3ccncc3)CC2)c(C)c1 ZINC001307875814 1065664472 /nfs/dbraw/zinc/66/44/72/1065664472.db2.gz SOZUHHGPIAZCEA-LJQANCHMSA-N 1 3 323.484 4.280 20 0 DIADHO Cc1cc(C)c([C@@H](C)[N@H+]2CCCN(c3ccncc3)CC2)c(C)c1 ZINC001307875814 1065664474 /nfs/dbraw/zinc/66/44/74/1065664474.db2.gz SOZUHHGPIAZCEA-LJQANCHMSA-N 1 3 323.484 4.280 20 0 DIADHO CCc1ccccc1CNC1CC[NH+](Cc2ccccc2C)CC1 ZINC001308206328 1065814494 /nfs/dbraw/zinc/81/44/94/1065814494.db2.gz UVNQVKQRHGFMGT-UHFFFAOYSA-N 1 3 322.496 4.312 20 0 DIADHO CCN1CC[C@@H](C[NH2+]C[C@H](C)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001308208946 1065817217 /nfs/dbraw/zinc/81/72/17/1065817217.db2.gz JLZJUXTXHUHLMA-MJGOQNOKSA-N 1 3 316.533 4.094 20 0 DIADHO C[C@@H]1CCC[C@@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001308250581 1065854641 /nfs/dbraw/zinc/85/46/41/1065854641.db2.gz GAMGYMCIKFRLQP-BEFAXECRSA-N 1 3 320.908 4.330 20 0 DIADHO C[C@@H]1CCC[C@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001308250583 1065855057 /nfs/dbraw/zinc/85/50/57/1065855057.db2.gz GAMGYMCIKFRLQP-DNVCBOLYSA-N 1 3 320.908 4.330 20 0 DIADHO CCc1ccccc1CN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308280842 1065881393 /nfs/dbraw/zinc/88/13/93/1065881393.db2.gz YHXQBVPPZGVSOU-OAQYLSRUSA-N 1 3 322.496 4.392 20 0 DIADHO CCc1ccccc1CN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308280842 1065881410 /nfs/dbraw/zinc/88/14/10/1065881410.db2.gz YHXQBVPPZGVSOU-OAQYLSRUSA-N 1 3 322.496 4.392 20 0 DIADHO C[C@H](CC[NH2+]Cc1ccc(Sc2ccccc2)cc1)N(C)C ZINC001308478928 1066018203 /nfs/dbraw/zinc/01/82/03/1066018203.db2.gz LRVXKHJQHUROTD-MRXNPFEDSA-N 1 3 314.498 4.268 20 0 DIADHO CC1([NH+]2CCCC2)CCC(NCc2ccsc2Cl)CC1 ZINC001308525015 1066045461 /nfs/dbraw/zinc/04/54/61/1066045461.db2.gz QNALIIYLUFTFJY-UHFFFAOYSA-N 1 3 312.910 4.288 20 0 DIADHO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1Cl ZINC001308573274 1066088269 /nfs/dbraw/zinc/08/82/69/1066088269.db2.gz FHOKAPCNFCMDQJ-APWZRJJASA-N 1 3 318.892 4.097 20 0 DIADHO Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1Cl ZINC001308573274 1066088283 /nfs/dbraw/zinc/08/82/83/1066088283.db2.gz FHOKAPCNFCMDQJ-APWZRJJASA-N 1 3 318.892 4.097 20 0 DIADHO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1Cl ZINC001308573276 1066088866 /nfs/dbraw/zinc/08/88/66/1066088866.db2.gz FHOKAPCNFCMDQJ-QFBILLFUSA-N 1 3 318.892 4.097 20 0 DIADHO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1Cl ZINC001308573276 1066088873 /nfs/dbraw/zinc/08/88/73/1066088873.db2.gz FHOKAPCNFCMDQJ-QFBILLFUSA-N 1 3 318.892 4.097 20 0 DIADHO C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001308634200 1066128626 /nfs/dbraw/zinc/12/86/26/1066128626.db2.gz GDEAACGREIMYDS-MBPVOVBZSA-N 1 3 312.501 4.065 20 0 DIADHO C[C@H](CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)N1CCCCC1 ZINC001308682824 1066154007 /nfs/dbraw/zinc/15/40/07/1066154007.db2.gz FMZVWDOHYCGAJH-YZGWKJHDSA-N 1 3 300.490 4.177 20 0 DIADHO Cc1cc(C)c(/C=C\CN2CCCC23CC[NH+](C)CC3)c(C)c1 ZINC001308689975 1066182625 /nfs/dbraw/zinc/18/26/25/1066182625.db2.gz SEEMGMKCZDVHQK-ALCCZGGFSA-N 1 3 312.501 4.185 20 0 DIADHO Cc1cc(C)c(/C=C\C[N@H+]2CCCC23CCN(C)CC3)c(C)c1 ZINC001308689975 1066182628 /nfs/dbraw/zinc/18/26/28/1066182628.db2.gz SEEMGMKCZDVHQK-ALCCZGGFSA-N 1 3 312.501 4.185 20 0 DIADHO Cc1cc(C)c(/C=C\C[N@@H+]2CCCC23CCN(C)CC3)c(C)c1 ZINC001308689975 1066182632 /nfs/dbraw/zinc/18/26/32/1066182632.db2.gz SEEMGMKCZDVHQK-ALCCZGGFSA-N 1 3 312.501 4.185 20 0 DIADHO CC[C@@H](CC1CCCCC1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC001308882896 1066361684 /nfs/dbraw/zinc/36/16/84/1066361684.db2.gz BYPGSOJFPFLPPS-UXHICEINSA-N 1 3 306.538 4.447 20 0 DIADHO C[C@H](C[N@H+]1CCCC[C@H]1[C@@H](C)CN(C)C)c1cc(F)cc(F)c1 ZINC001308882874 1066363268 /nfs/dbraw/zinc/36/32/68/1066363268.db2.gz SGRJSRMUBUEBSD-VCBZYWHSSA-N 1 3 324.459 4.121 20 0 DIADHO C[C@H](C[N@@H+]1CCCC[C@H]1[C@@H](C)CN(C)C)c1cc(F)cc(F)c1 ZINC001308882874 1066363279 /nfs/dbraw/zinc/36/32/79/1066363279.db2.gz SGRJSRMUBUEBSD-VCBZYWHSSA-N 1 3 324.459 4.121 20 0 DIADHO CC1=C(C)C[C@H]([C@@H](C)N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC001308948301 1066413574 /nfs/dbraw/zinc/41/35/74/1066413574.db2.gz MOJGIMIUIRWULA-GGPKGHCWSA-N 1 3 315.505 4.189 20 0 DIADHO CC(C)O[C@H](C[N@@H+]1CCC(C)(C)NC(C)(C)C1)c1ccccc1 ZINC001308985196 1066433288 /nfs/dbraw/zinc/43/32/88/1066433288.db2.gz XLVZKITUFXSFJH-GOSISDBHSA-N 1 3 318.505 4.005 20 0 DIADHO CC(C)O[C@H](C[N@H+]1CCC(C)(C)NC(C)(C)C1)c1ccccc1 ZINC001308985196 1066433293 /nfs/dbraw/zinc/43/32/93/1066433293.db2.gz XLVZKITUFXSFJH-GOSISDBHSA-N 1 3 318.505 4.005 20 0 DIADHO CN(C)Cc1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000525858024 334961131 /nfs/dbraw/zinc/96/11/31/334961131.db2.gz LZETYDCNUVHCJN-NHCUHLMSSA-N 1 3 308.469 4.174 20 0 DIADHO C[C@H](C[NH2+]C1CCN(CC2CCCC2)CC1)c1ccc(F)cc1 ZINC000525864307 335032127 /nfs/dbraw/zinc/03/21/27/335032127.db2.gz COHOEIMEZKAYHQ-MRXNPFEDSA-N 1 3 318.480 4.173 20 0 DIADHO C[C@H](CNC1CC[NH+](CC2CCCC2)CC1)c1ccc(F)cc1 ZINC000525864307 335032128 /nfs/dbraw/zinc/03/21/28/335032128.db2.gz COHOEIMEZKAYHQ-MRXNPFEDSA-N 1 3 318.480 4.173 20 0 DIADHO CN(C)Cc1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000040860103 183143408 /nfs/dbraw/zinc/14/34/08/183143408.db2.gz AQLATWYNLVIGGU-UHFFFAOYSA-N 1 3 308.469 4.401 20 0 DIADHO CC[C@H](N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000274927693 130274544 /nfs/dbraw/zinc/27/45/44/130274544.db2.gz QDXRQFYLVCTKKQ-UIFIKXQLSA-N 1 3 323.484 4.033 20 0 DIADHO CC[C@H](N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000274927693 130274547 /nfs/dbraw/zinc/27/45/47/130274547.db2.gz QDXRQFYLVCTKKQ-UIFIKXQLSA-N 1 3 323.484 4.033 20 0 DIADHO CC[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000274927698 130275498 /nfs/dbraw/zinc/27/54/98/130275498.db2.gz QDXRQFYLVCTKKQ-YYWHXJBOSA-N 1 3 323.484 4.033 20 0 DIADHO CC[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000274927698 130275499 /nfs/dbraw/zinc/27/54/99/130275499.db2.gz QDXRQFYLVCTKKQ-YYWHXJBOSA-N 1 3 323.484 4.033 20 0 DIADHO Cc1cc([C@H](C)NCc2ccc(C[NH+](C)C)cc2)c(C)s1 ZINC000171128396 332855416 /nfs/dbraw/zinc/85/54/16/332855416.db2.gz SDUWLNLRMHUAIR-AWEZNQCLSA-N 1 3 302.487 4.277 20 0 DIADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)CCC2 ZINC000123623141 331572050 /nfs/dbraw/zinc/57/20/50/331572050.db2.gz OEZMEOQEWUJIST-MRXNPFEDSA-N 1 3 308.469 4.088 20 0 DIADHO C[NH+](C)Cc1cccc(CNCc2ccc(C3CCC3)cc2)c1 ZINC000559243717 332001058 /nfs/dbraw/zinc/00/10/58/332001058.db2.gz KTURAASQZKFIAA-UHFFFAOYSA-N 1 3 308.469 4.306 20 0 DIADHO CCc1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C(C)C)cc1 ZINC000409446959 332031026 /nfs/dbraw/zinc/03/10/26/332031026.db2.gz BOHCXXARYGKBFP-NXEWRWPSSA-N 1 3 300.490 4.161 20 0 DIADHO CCc1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C(C)C)cc1 ZINC000409446959 332031027 /nfs/dbraw/zinc/03/10/27/332031027.db2.gz BOHCXXARYGKBFP-NXEWRWPSSA-N 1 3 300.490 4.161 20 0 DIADHO CCc1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C(C)C)cc1 ZINC000409446960 332031261 /nfs/dbraw/zinc/03/12/61/332031261.db2.gz BOHCXXARYGKBFP-RAFMOHDBSA-N 1 3 300.490 4.161 20 0 DIADHO CCc1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C(C)C)cc1 ZINC000409446960 332031262 /nfs/dbraw/zinc/03/12/62/332031262.db2.gz BOHCXXARYGKBFP-RAFMOHDBSA-N 1 3 300.490 4.161 20 0 DIADHO CCCC[N@H+](C)CC1CCN([C@@H](C)c2ccccc2F)CC1 ZINC000520044085 332032177 /nfs/dbraw/zinc/03/21/77/332032177.db2.gz OGBVZAVIIURGHZ-INIZCTEOSA-N 1 3 306.469 4.331 20 0 DIADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)c2ccccc2F)CC1 ZINC000520044085 332032178 /nfs/dbraw/zinc/03/21/78/332032178.db2.gz OGBVZAVIIURGHZ-INIZCTEOSA-N 1 3 306.469 4.331 20 0 DIADHO CC(C)Oc1ccc([C@@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000131770061 332033539 /nfs/dbraw/zinc/03/35/39/332033539.db2.gz QMNZLLDTLIIWNG-BPIHKTFHSA-N 1 3 316.489 4.140 20 0 DIADHO CC(C)Oc1ccc([C@@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000131770061 332033541 /nfs/dbraw/zinc/03/35/41/332033541.db2.gz QMNZLLDTLIIWNG-BPIHKTFHSA-N 1 3 316.489 4.140 20 0 DIADHO C[C@@]1(NC2CC[NH+](C3CCCCC3)CC2)C[C@H]1c1ccccc1 ZINC000559878546 332288753 /nfs/dbraw/zinc/28/87/53/332288753.db2.gz MLAFMXWEQXCQSU-LEWJYISDSA-N 1 3 312.501 4.319 20 0 DIADHO C[C@@]1([NH2+]C2CCN(C3CCCCC3)CC2)C[C@H]1c1ccccc1 ZINC000559878546 332288754 /nfs/dbraw/zinc/28/87/54/332288754.db2.gz MLAFMXWEQXCQSU-LEWJYISDSA-N 1 3 312.501 4.319 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1ccsc1 ZINC000050338871 332351176 /nfs/dbraw/zinc/35/11/76/332351176.db2.gz OIJUJMVSQOUWMR-HNNXBMFYSA-N 1 3 302.487 4.441 20 0 DIADHO C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000462744692 333106682 /nfs/dbraw/zinc/10/66/82/333106682.db2.gz MKMPAYHPCQUHHD-QAPCUYQASA-N 1 3 320.908 4.330 20 0 DIADHO Fc1ccc([C@H](NCc2ccc3c(c2)C[NH2+]CC3)C2CCC2)cc1 ZINC000518781722 333187079 /nfs/dbraw/zinc/18/70/79/333187079.db2.gz SXWCBEMHZRLQGF-OAQYLSRUSA-N 1 3 324.443 4.102 20 0 DIADHO CCC[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccn1 ZINC000500645288 333251719 /nfs/dbraw/zinc/25/17/19/333251719.db2.gz CLWFLRPPHCXRJA-CEXWTWQISA-N 1 3 317.521 4.271 20 0 DIADHO CCC[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccn1 ZINC000500645288 333251721 /nfs/dbraw/zinc/25/17/21/333251721.db2.gz CLWFLRPPHCXRJA-CEXWTWQISA-N 1 3 317.521 4.271 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@@H](c2cc3ccccc3o2)C(C)(C)C)C1 ZINC000497829235 333297410 /nfs/dbraw/zinc/29/74/10/333297410.db2.gz RBONCHHGSWMTFL-BEFAXECRSA-N 1 3 314.473 4.451 20 0 DIADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(-c2ccccc2)cc1 ZINC000391944667 335136487 /nfs/dbraw/zinc/13/64/87/335136487.db2.gz QPUPUXJVBMTYCO-ZWKOTPCHSA-N 1 3 320.480 4.489 20 0 DIADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(-c2ccccc2)cc1 ZINC000391944667 335136489 /nfs/dbraw/zinc/13/64/89/335136489.db2.gz QPUPUXJVBMTYCO-ZWKOTPCHSA-N 1 3 320.480 4.489 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CNCc1sccc1C ZINC000021014400 333386811 /nfs/dbraw/zinc/38/68/11/333386811.db2.gz FOYBEVJQGZTCJC-UHFFFAOYSA-N 1 3 302.487 4.188 20 0 DIADHO [NH3+]Cc1ccc(CN[C@@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000563153615 333398147 /nfs/dbraw/zinc/39/81/47/333398147.db2.gz ARQBLXBNGWIURT-MRXNPFEDSA-N 1 3 318.873 4.125 20 0 DIADHO Cc1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc1F ZINC000067121165 335148049 /nfs/dbraw/zinc/14/80/49/335148049.db2.gz MLQCXEHLHJFJRZ-UHFFFAOYSA-N 1 3 314.448 4.264 20 0 DIADHO Cc1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc1F ZINC000067121165 335148051 /nfs/dbraw/zinc/14/80/51/335148051.db2.gz MLQCXEHLHJFJRZ-UHFFFAOYSA-N 1 3 314.448 4.264 20 0 DIADHO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000392003960 335149952 /nfs/dbraw/zinc/14/99/52/335149952.db2.gz RGMMSTLUDPSMOY-MYGYKHERSA-N 1 3 312.501 4.175 20 0 DIADHO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000392003960 335149954 /nfs/dbraw/zinc/14/99/54/335149954.db2.gz RGMMSTLUDPSMOY-MYGYKHERSA-N 1 3 312.501 4.175 20 0 DIADHO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000392003960 335149956 /nfs/dbraw/zinc/14/99/56/335149956.db2.gz RGMMSTLUDPSMOY-MYGYKHERSA-N 1 3 312.501 4.175 20 0 DIADHO Cc1cc(Cl)cc(C)c1CNCc1ccc([C@H](C)[NH3+])cc1 ZINC000414803553 334102547 /nfs/dbraw/zinc/10/25/47/334102547.db2.gz DBBGSVSDXPMRTN-AWEZNQCLSA-N 1 3 302.849 4.266 20 0 DIADHO C[C@H]([NH3+])c1ccc(CNCc2cccc(OC3CCCC3)c2)cc1 ZINC000414815676 334106656 /nfs/dbraw/zinc/10/66/56/334106656.db2.gz YCRCBGKXQVHMTF-INIZCTEOSA-N 1 3 324.468 4.318 20 0 DIADHO Cc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)ccc1C(F)(F)F ZINC000414817683 334107160 /nfs/dbraw/zinc/10/71/60/334107160.db2.gz STUJOPALUQMRKS-CYBMUJFWSA-N 1 3 322.374 4.323 20 0 DIADHO C[C@H]1CNCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000414960504 334211528 /nfs/dbraw/zinc/21/15/28/334211528.db2.gz QVZLPWMYQZMMQW-LRDDRELGSA-N 1 3 320.889 4.156 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000582149470 334273659 /nfs/dbraw/zinc/27/36/59/334273659.db2.gz NAVVYHVBBJFKSU-PMACEKPBSA-N 1 3 302.506 4.108 20 0 DIADHO CC(C)Oc1cccc(CN[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000415057697 334261784 /nfs/dbraw/zinc/26/17/84/334261784.db2.gz SEZUFDPBPMOYOG-HXUWFJFHSA-N 1 3 312.457 4.044 20 0 DIADHO Cc1cc(Cl)ccc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000415059963 334262096 /nfs/dbraw/zinc/26/20/96/334262096.db2.gz VRNKRSSXAIVGSQ-GOSISDBHSA-N 1 3 302.849 4.218 20 0 DIADHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2ccsc2)CC1 ZINC000514091970 334263897 /nfs/dbraw/zinc/26/38/97/334263897.db2.gz AICISFCRJVHOLH-UHFFFAOYSA-N 1 3 314.498 4.092 20 0 DIADHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2ccsc2)CC1 ZINC000514091970 334263898 /nfs/dbraw/zinc/26/38/98/334263898.db2.gz AICISFCRJVHOLH-UHFFFAOYSA-N 1 3 314.498 4.092 20 0 DIADHO C[C@@H](c1ccccc1)[NH+]1CCC(N[C@H]2CCc3ccccc32)CC1 ZINC000531967588 334326354 /nfs/dbraw/zinc/32/63/54/334326354.db2.gz GTLUSFQTDBFSRC-JTSKRJEESA-N 1 3 320.480 4.489 20 0 DIADHO CN1CCC[C@H]1CC[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000534757356 334336891 /nfs/dbraw/zinc/33/68/91/334336891.db2.gz XWQLSJYKFZPFMY-PXNSSMCTSA-N 1 3 311.473 4.179 20 0 DIADHO CN1CCC[C@H]1CC[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000534757356 334336893 /nfs/dbraw/zinc/33/68/93/334336893.db2.gz XWQLSJYKFZPFMY-PXNSSMCTSA-N 1 3 311.473 4.179 20 0 DIADHO CCCOc1cccc(CN2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000535082880 334366663 /nfs/dbraw/zinc/36/66/63/334366663.db2.gz PNHORNKLWXERGW-UHFFFAOYSA-N 1 3 318.505 4.028 20 0 DIADHO CCCOc1cccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000535082880 334366664 /nfs/dbraw/zinc/36/66/64/334366664.db2.gz PNHORNKLWXERGW-UHFFFAOYSA-N 1 3 318.505 4.028 20 0 DIADHO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000342822312 334581259 /nfs/dbraw/zinc/58/12/59/334581259.db2.gz GCPKKAXEYJPSEF-QGZVFWFLSA-N 1 3 318.505 4.074 20 0 DIADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417312195 334705343 /nfs/dbraw/zinc/70/53/43/334705343.db2.gz NERSZRYPWLSULQ-JCGIZDLHSA-N 1 3 318.530 4.237 20 0 DIADHO CC1(C)CC([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC(C)(C)N1 ZINC000367043148 335597083 /nfs/dbraw/zinc/59/70/83/335597083.db2.gz NSNGREQACSJCSQ-NVXWUHKLSA-N 1 3 315.505 4.007 20 0 DIADHO CCC[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccsc1 ZINC000191193060 335639057 /nfs/dbraw/zinc/63/90/57/335639057.db2.gz JEKCMOJWGFTICJ-SFHVURJKSA-N 1 3 302.487 4.441 20 0 DIADHO Cc1sccc1C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000351568544 336045498 /nfs/dbraw/zinc/04/54/98/336045498.db2.gz ODUFLHFVTMFHMJ-SFHVURJKSA-N 1 3 314.498 4.010 20 0 DIADHO Cc1sccc1C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000351568544 336045500 /nfs/dbraw/zinc/04/55/00/336045500.db2.gz ODUFLHFVTMFHMJ-SFHVURJKSA-N 1 3 314.498 4.010 20 0 DIADHO CSc1ccc([C@@H](C)[NH2+]CCCN2CCCCC2)cc1F ZINC000532454684 336248204 /nfs/dbraw/zinc/24/82/04/336248204.db2.gz PXXNZYUNDUERPD-CQSZACIVSA-N 1 3 310.482 4.074 20 0 DIADHO C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000417994411 336287106 /nfs/dbraw/zinc/28/71/06/336287106.db2.gz YVNKARUWPISPKG-KRQVXIAISA-N 1 3 312.501 4.033 20 0 DIADHO Cc1nc2ccccc2c(N2CCC(C[NH+]3CCCC3)CC2)c1C ZINC000302105915 336348695 /nfs/dbraw/zinc/34/86/95/336348695.db2.gz XLHSBOILLIODGM-UHFFFAOYSA-N 1 3 323.484 4.164 20 0 DIADHO CC(C)(C)c1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000314718023 336376156 /nfs/dbraw/zinc/37/61/56/336376156.db2.gz OPMKYEWGKMWQIX-UHFFFAOYSA-N 1 3 302.506 4.337 20 0 DIADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc(C2CC2)cc1 ZINC000418110062 336607350 /nfs/dbraw/zinc/60/73/50/336607350.db2.gz BAUFRRWBJDTZAZ-MRXNPFEDSA-N 1 3 321.468 4.279 20 0 DIADHO CCC[NH+]1CCC(CN[C@@H]2C[C@@H](C)Sc3sccc32)CC1 ZINC000361158287 336741625 /nfs/dbraw/zinc/74/16/25/336741625.db2.gz ZIBPIMMCUUXJGR-CZUORRHYSA-N 1 3 324.559 4.385 20 0 DIADHO CC[NH+]1CCC(CCN[C@@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000121702086 336975945 /nfs/dbraw/zinc/97/59/45/336975945.db2.gz FTRFYBPBFABTCX-XJKSGUPXSA-N 1 3 324.559 4.385 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000422716977 337684021 /nfs/dbraw/zinc/68/40/21/337684021.db2.gz VBFYAAPKQDZXOK-FRQCXROJSA-N 1 3 303.494 4.104 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000422778380 337686251 /nfs/dbraw/zinc/68/62/51/337686251.db2.gz HIKZLWBGMGQFDE-KKSFZXQISA-N 1 3 323.484 4.431 20 0 DIADHO C[C@@H](CCC[NH3+])N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000422951104 337694571 /nfs/dbraw/zinc/69/45/71/337694571.db2.gz XNQWWHJOOFNKML-LRDDRELGSA-N 1 3 308.878 4.208 20 0 DIADHO C[C@H](CCCC[NH3+])NC1(c2c(Cl)cccc2Cl)CC1 ZINC000422960484 337694943 /nfs/dbraw/zinc/69/49/43/337694943.db2.gz WNQOPQQHMQJPLG-LLVKDONJSA-N 1 3 301.261 4.090 20 0 DIADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423077786 337698364 /nfs/dbraw/zinc/69/83/64/337698364.db2.gz UNMGYLMQIYDWLK-ULQDDVLXSA-N 1 3 312.457 4.042 20 0 DIADHO c1ccc(CC2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCCCC2)cc1 ZINC000423054451 337699688 /nfs/dbraw/zinc/69/96/88/337699688.db2.gz UOXJIYGEHXWDFH-YOFSQIOKSA-N 1 3 312.501 4.052 20 0 DIADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423109413 337699837 /nfs/dbraw/zinc/69/98/37/337699837.db2.gz SLBMKBZUVUELIJ-RKLWJJNISA-N 1 3 314.395 4.057 20 0 DIADHO C[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccc(-c2ccc(F)cc2)s1 ZINC000423210120 337704309 /nfs/dbraw/zinc/70/43/09/337704309.db2.gz JSTNWPRTPMYQQP-KGLIPLIRSA-N 1 3 318.461 4.204 20 0 DIADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000423344540 337713155 /nfs/dbraw/zinc/71/31/55/337713155.db2.gz NBQBBNUYBKWCJW-SECBINFHSA-N 1 3 319.663 4.217 20 0 DIADHO CSc1ccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1F ZINC000423290408 337709694 /nfs/dbraw/zinc/70/96/94/337709694.db2.gz CVMMGGIPVOXDBY-OLZOCXBDSA-N 1 3 318.461 4.418 20 0 DIADHO Cc1cc([C@@H](NCc2ccc([C@@H](C)[NH3+])cc2)C2CC2)ccc1F ZINC000423291425 337710113 /nfs/dbraw/zinc/71/01/13/337710113.db2.gz IGCHLMOKPPYTRV-VLIAUNLRSA-N 1 3 312.432 4.395 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000423291490 337710164 /nfs/dbraw/zinc/71/01/64/337710164.db2.gz IMLSBXKDDKWGGZ-PXAZEXFGSA-N 1 3 316.445 4.172 20 0 DIADHO Cc1cc(C)c2c(c1)[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)CCCO2 ZINC000423296018 337710688 /nfs/dbraw/zinc/71/06/88/337710688.db2.gz YFONYANYBPRSJM-UZLBHIALSA-N 1 3 324.468 4.327 20 0 DIADHO Cc1ccc2c(c1)[C@H](NCc1ccc([C@H](C)[NH3+])cc1)CCCO2 ZINC000423294718 337710733 /nfs/dbraw/zinc/71/07/33/337710733.db2.gz UZUJKXXAAHQIMA-HNAYVOBHSA-N 1 3 310.441 4.018 20 0 DIADHO Cc1cc([C@H](NCCCC[NH3+])c2cccc(Cl)c2)c(C)s1 ZINC000423343476 337713053 /nfs/dbraw/zinc/71/30/53/337713053.db2.gz ZVIBLTQJQJXROK-QGZVFWFLSA-N 1 3 322.905 4.436 20 0 DIADHO CC[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(Cl)c1 ZINC000423356475 337714037 /nfs/dbraw/zinc/71/40/37/337714037.db2.gz JWIFMYHTNYPUAR-SFHVURJKSA-N 1 3 300.833 4.184 20 0 DIADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc2c(c1)CCCC2 ZINC000423368186 337714892 /nfs/dbraw/zinc/71/48/92/337714892.db2.gz DCWCCNNXHFKAGP-OAHLLOKOSA-N 1 3 306.453 4.019 20 0 DIADHO c1ccc([C@@H]([NH2+]Cc2ccc3c(c2)CNC3)C2CCCC2)cc1 ZINC000423397442 337715506 /nfs/dbraw/zinc/71/55/06/337715506.db2.gz SVBYBDPLQASVKB-OAQYLSRUSA-N 1 3 306.453 4.311 20 0 DIADHO COc1ccccc1-c1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423385030 337717930 /nfs/dbraw/zinc/71/79/30/337717930.db2.gz LJVXNDYLARUOPL-KFKAGJAMSA-N 1 3 324.468 4.283 20 0 DIADHO C[C@H](NC[C@@H]1CCC[C@@H]([NH3+])C1)c1cc(Cl)sc1Cl ZINC000423455120 337720295 /nfs/dbraw/zinc/72/02/95/337720295.db2.gz DRUPYDFLJCARDD-IVZWLZJFSA-N 1 3 307.290 4.223 20 0 DIADHO C[C@H](NC[C@@H]1CCC[C@@H]([NH3+])C1)c1cc(Cl)ccc1Cl ZINC000423456992 337720406 /nfs/dbraw/zinc/72/04/06/337720406.db2.gz HRZWWPXZJUZUHG-DMDPSCGWSA-N 1 3 301.261 4.162 20 0 DIADHO Fc1ccc([C@H](NCCC[C@@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423467140 337720908 /nfs/dbraw/zinc/72/09/08/337720908.db2.gz BDZQGMXHIQBHBC-VQTJNVASSA-N 1 3 312.432 4.037 20 0 DIADHO Fc1ccc([C@@H](NCCC[C@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423467138 337720924 /nfs/dbraw/zinc/72/09/24/337720924.db2.gz BDZQGMXHIQBHBC-UXHICEINSA-N 1 3 312.432 4.037 20 0 DIADHO CCOc1ccccc1[C@@H](C)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423497250 337723057 /nfs/dbraw/zinc/72/30/57/337723057.db2.gz GHAKXULTJFTWHK-VQIMIIECSA-N 1 3 312.457 4.216 20 0 DIADHO CC[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1F ZINC000423497405 337723209 /nfs/dbraw/zinc/72/32/09/337723209.db2.gz GWEUQFZGGYJMPP-MOPGFXCFSA-N 1 3 318.411 4.486 20 0 DIADHO Cc1cc([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)c(C)s1 ZINC000423517072 337724317 /nfs/dbraw/zinc/72/43/17/337724317.db2.gz YNMPGJNGPYMVGD-KDOFPFPSSA-N 1 3 302.487 4.496 20 0 DIADHO CC[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(OC)cc1 ZINC000423517110 337724374 /nfs/dbraw/zinc/72/43/74/337724374.db2.gz YOKMQFSEJVEPGZ-WOJBJXKFSA-N 1 3 312.457 4.216 20 0 DIADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc(Cl)ccc1Cl ZINC000423543131 337725211 /nfs/dbraw/zinc/72/52/11/337725211.db2.gz NAGYIYFMUREHCM-CIQGVGRVSA-N 1 3 313.272 4.032 20 0 DIADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CCc3ccccc32)cc1 ZINC000120579583 337877843 /nfs/dbraw/zinc/87/78/43/337877843.db2.gz GNMDWBNDYLCAKC-OAQYLSRUSA-N 1 3 308.469 4.306 20 0 DIADHO CC[NH+](CC)CC1CCN(Cc2cccc(OC(C)C)c2)CC1 ZINC000515479902 337990432 /nfs/dbraw/zinc/99/04/32/337990432.db2.gz YZUKVNOHZFIQFO-UHFFFAOYSA-N 1 3 318.505 4.028 20 0 DIADHO CC[NH+](CC)CC1CCN(Cc2ccc(SC)s2)CC1 ZINC000516519568 338014449 /nfs/dbraw/zinc/01/44/49/338014449.db2.gz VXOSHMPGUCMCHU-UHFFFAOYSA-N 1 3 312.548 4.024 20 0 DIADHO CN1CC[C@H]([NH2+][C@@H]2CCCc3sc(Cl)cc32)[C@@H]2CCC[C@H]21 ZINC000426312707 338026358 /nfs/dbraw/zinc/02/63/58/338026358.db2.gz KFXAGATVGZTMNN-PMOUVXMZSA-N 1 3 324.921 4.241 20 0 DIADHO C[N@@H+]1CC[C@H](N[C@@H]2CCCc3sc(Cl)cc32)[C@@H]2CCC[C@H]21 ZINC000426312707 338026359 /nfs/dbraw/zinc/02/63/59/338026359.db2.gz KFXAGATVGZTMNN-PMOUVXMZSA-N 1 3 324.921 4.241 20 0 DIADHO C[N@H+]1CC[C@H](N[C@@H]2CCCc3sc(Cl)cc32)[C@@H]2CCC[C@H]21 ZINC000426312707 338026360 /nfs/dbraw/zinc/02/63/60/338026360.db2.gz KFXAGATVGZTMNN-PMOUVXMZSA-N 1 3 324.921 4.241 20 0 DIADHO C[C@@H](c1ccc(C(C)(C)C)cc1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000428994312 338068192 /nfs/dbraw/zinc/06/81/92/338068192.db2.gz BJQXRVDHKWXREZ-JXFKEZNVSA-N 1 3 300.490 4.073 20 0 DIADHO C[C@@H](c1ccc(C(C)(C)C)cc1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000428994312 338068193 /nfs/dbraw/zinc/06/81/93/338068193.db2.gz BJQXRVDHKWXREZ-JXFKEZNVSA-N 1 3 300.490 4.073 20 0 DIADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429539682 338083427 /nfs/dbraw/zinc/08/34/27/338083427.db2.gz RNZNNKPAHUNRFW-CZUORRHYSA-N 1 3 314.395 4.183 20 0 DIADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429539682 338083428 /nfs/dbraw/zinc/08/34/28/338083428.db2.gz RNZNNKPAHUNRFW-CZUORRHYSA-N 1 3 314.395 4.183 20 0 DIADHO C[NH+](C)[C@H]1CCCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000429540511 338083439 /nfs/dbraw/zinc/08/34/39/338083439.db2.gz SVZNPPONBJQGKY-INIZCTEOSA-N 1 3 306.453 4.173 20 0 DIADHO CN(C)[C@H]1CCC[N@@H+](C2c3ccccc3-c3ccccc32)CC1 ZINC000429540511 338083440 /nfs/dbraw/zinc/08/34/40/338083440.db2.gz SVZNPPONBJQGKY-INIZCTEOSA-N 1 3 306.453 4.173 20 0 DIADHO CN(C)[C@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)CC1 ZINC000429540511 338083441 /nfs/dbraw/zinc/08/34/41/338083441.db2.gz SVZNPPONBJQGKY-INIZCTEOSA-N 1 3 306.453 4.173 20 0 DIADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429539678 338083512 /nfs/dbraw/zinc/08/35/12/338083512.db2.gz RNZNNKPAHUNRFW-CJNGLKHVSA-N 1 3 314.395 4.183 20 0 DIADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429539678 338083513 /nfs/dbraw/zinc/08/35/13/338083513.db2.gz RNZNNKPAHUNRFW-CJNGLKHVSA-N 1 3 314.395 4.183 20 0 DIADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000430714761 338112077 /nfs/dbraw/zinc/11/20/77/338112077.db2.gz PMGJROYGWGFXNT-HQRMLTQVSA-N 1 3 315.505 4.102 20 0 DIADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000430746696 338113370 /nfs/dbraw/zinc/11/33/70/338113370.db2.gz IRFAEMKTMNFCRW-HLLBOEOZSA-N 1 3 314.464 4.055 20 0 DIADHO CC[NH+](CC)C[C@@H]1CCN([C@@H](C)CCSc2ccccc2)C1 ZINC000431606570 338134556 /nfs/dbraw/zinc/13/45/56/338134556.db2.gz FNMNEBOERJVBRP-ROUUACIJSA-N 1 3 320.546 4.221 20 0 DIADHO CCN(CC)C[C@@H]1CC[N@@H+]([C@@H](C)CCSc2ccccc2)C1 ZINC000431606570 338134557 /nfs/dbraw/zinc/13/45/57/338134557.db2.gz FNMNEBOERJVBRP-ROUUACIJSA-N 1 3 320.546 4.221 20 0 DIADHO CCN(CC)C[C@@H]1CC[N@H+]([C@@H](C)CCSc2ccccc2)C1 ZINC000431606570 338134558 /nfs/dbraw/zinc/13/45/58/338134558.db2.gz FNMNEBOERJVBRP-ROUUACIJSA-N 1 3 320.546 4.221 20 0 DIADHO c1ccc([C@@H]2CCC[C@H]2[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000162830051 338136936 /nfs/dbraw/zinc/13/69/36/338136936.db2.gz MNIDULNNJDRXCF-LEWJYISDSA-N 1 3 312.501 4.319 20 0 DIADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433311846 338191275 /nfs/dbraw/zinc/19/12/75/338191275.db2.gz OCDSLEBEVDIWOW-SJLPKXTDSA-N 1 3 306.881 4.004 20 0 DIADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433311846 338191276 /nfs/dbraw/zinc/19/12/76/338191276.db2.gz OCDSLEBEVDIWOW-SJLPKXTDSA-N 1 3 306.881 4.004 20 0 DIADHO C[C@@H]1C[C@H](c2ccccc2)CCN1CCC[NH+]1CCCCC1 ZINC000439311641 338366844 /nfs/dbraw/zinc/36/68/44/338366844.db2.gz CDBGFMFYWIEMSF-UYAOXDASSA-N 1 3 300.490 4.131 20 0 DIADHO FC(F)C1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC000442782992 338430952 /nfs/dbraw/zinc/43/09/52/338430952.db2.gz QXBYHUGXHYRWTC-UHFFFAOYSA-N 1 3 314.464 4.055 20 0 DIADHO C[NH+](C)CCCC(C)(C)NCc1ccc(Oc2ccccc2)o1 ZINC000449528822 338634665 /nfs/dbraw/zinc/63/46/65/338634665.db2.gz SGGXZDWUVADOBK-UHFFFAOYSA-N 1 3 316.445 4.282 20 0 DIADHO CSc1ccccc1[C@H](C)NCc1cccc(C[NH+](C)C)c1 ZINC000194840528 338764854 /nfs/dbraw/zinc/76/48/54/338764854.db2.gz HKGXCJRHJSLZFV-HNNXBMFYSA-N 1 3 314.498 4.321 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000459664084 339041545 /nfs/dbraw/zinc/04/15/45/339041545.db2.gz HXIKOJXKIBMIRV-CZUORRHYSA-N 1 3 324.871 4.188 20 0 DIADHO CC[NH+]1CCC(CCNCc2ccc(-c3ccccc3)o2)CC1 ZINC000462760435 339087368 /nfs/dbraw/zinc/08/73/68/339087368.db2.gz FTMMCOKJLBHRDK-UHFFFAOYSA-N 1 3 312.457 4.158 20 0 DIADHO FCCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000462821690 339092090 /nfs/dbraw/zinc/09/20/90/339092090.db2.gz MKXPYFUNEXLZTO-SLFFLAALSA-N 1 3 318.480 4.017 20 0 DIADHO FCCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000462821692 339092151 /nfs/dbraw/zinc/09/21/51/339092151.db2.gz MKXPYFUNEXLZTO-VAMGGRTRSA-N 1 3 318.480 4.017 20 0 DIADHO CCN(CC)C[C@H]1CC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000464778407 339153029 /nfs/dbraw/zinc/15/30/29/339153029.db2.gz OBAJVKBRPPBHQM-LJQANCHMSA-N 1 3 310.485 4.046 20 0 DIADHO CCN(CC)C[C@H]1CC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000464778407 339153030 /nfs/dbraw/zinc/15/30/30/339153030.db2.gz OBAJVKBRPPBHQM-LJQANCHMSA-N 1 3 310.485 4.046 20 0 DIADHO CN1CC=C(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC000467350754 339233298 /nfs/dbraw/zinc/23/32/98/339233298.db2.gz UCYRLZYCXUGUKE-IBGZPJMESA-N 1 3 318.892 4.423 20 0 DIADHO CC(C)[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)Cc1ccccc1 ZINC000468816518 339271670 /nfs/dbraw/zinc/27/16/70/339271670.db2.gz CADUUNYLHWZCRM-IBGZPJMESA-N 1 3 316.533 4.354 20 0 DIADHO CCCN(C)C[C@@H]1CC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000471047569 339335728 /nfs/dbraw/zinc/33/57/28/339335728.db2.gz KHKJFQYBMWTNTI-IBGZPJMESA-N 1 3 310.485 4.046 20 0 DIADHO CCCN(C)C[C@@H]1CC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000471047569 339335729 /nfs/dbraw/zinc/33/57/29/339335729.db2.gz KHKJFQYBMWTNTI-IBGZPJMESA-N 1 3 310.485 4.046 20 0 DIADHO Cc1ccc(C)c2c1CCC[C@H]2NC1CC[NH+](CC2CC2)CC1 ZINC000472143872 339364235 /nfs/dbraw/zinc/36/42/35/339364235.db2.gz IWAYDCHSJAFSRO-HXUWFJFHSA-N 1 3 312.501 4.145 20 0 DIADHO CCN(CC)CCC[NH+]1CCC(c2c[nH]c3ccccc23)CC1 ZINC000472777921 339377528 /nfs/dbraw/zinc/37/75/28/339377528.db2.gz YHZVVCILEJNNJJ-UHFFFAOYSA-N 1 3 313.489 4.079 20 0 DIADHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)C1CCC(F)(F)CC1 ZINC000474029956 339397788 /nfs/dbraw/zinc/39/77/88/339397788.db2.gz GRDJHMIQEXYLDF-GJZGRUSLSA-N 1 3 302.453 4.055 20 0 DIADHO C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)C1CCC(F)(F)CC1 ZINC000474046028 339398866 /nfs/dbraw/zinc/39/88/66/339398866.db2.gz RNMBCHIIHFMGHF-LSDHHAIUSA-N 1 3 302.453 4.055 20 0 DIADHO C[C@@H]([NH2+]C1CCCCCC1)c1cccc(OCCN(C)C)c1 ZINC000479849258 339550347 /nfs/dbraw/zinc/55/03/47/339550347.db2.gz DEQXOKBVKCIOGW-MRXNPFEDSA-N 1 3 304.478 4.000 20 0 DIADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)CCCC2 ZINC000480263064 339565974 /nfs/dbraw/zinc/56/59/74/339565974.db2.gz TUCHDENCNZGUFO-QGZVFWFLSA-N 1 3 322.496 4.478 20 0 DIADHO CC(C)(C)N1CCC([NH2+]CCCCc2ccc(F)c(F)c2)CC1 ZINC000480663894 339582064 /nfs/dbraw/zinc/58/20/64/339582064.db2.gz CXXFUVDDPCQDKR-UHFFFAOYSA-N 1 3 324.459 4.140 20 0 DIADHO CC[NH+](CC)CC1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000488343322 339777800 /nfs/dbraw/zinc/77/78/00/339777800.db2.gz JUQQDZMGJYZGMX-HNNXBMFYSA-N 1 3 308.897 4.455 20 0 DIADHO Cc1ccc([C@@H](NCC2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000491062147 339847571 /nfs/dbraw/zinc/84/75/71/339847571.db2.gz UWYHYSOVTKRWIJ-NRFANRHFSA-N 1 3 308.469 4.016 20 0 DIADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000498932058 340026281 /nfs/dbraw/zinc/02/62/81/340026281.db2.gz UEVQEKKLFFVUFA-SLFFLAALSA-N 1 3 316.464 4.224 20 0 DIADHO C[C@H]([NH2+]CCSC1CCCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000501064298 340073379 /nfs/dbraw/zinc/07/33/79/340073379.db2.gz PXASMRXUMFUONP-IRXDYDNUSA-N 1 3 324.578 4.295 20 0 DIADHO C[C@H](NCCSC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501064298 340073380 /nfs/dbraw/zinc/07/33/80/340073380.db2.gz PXASMRXUMFUONP-IRXDYDNUSA-N 1 3 324.578 4.295 20 0 DIADHO C[C@H](NCCSC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000501064298 340073381 /nfs/dbraw/zinc/07/33/81/340073381.db2.gz PXASMRXUMFUONP-IRXDYDNUSA-N 1 3 324.578 4.295 20 0 DIADHO Cc1cccc(C)c1C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501083060 340074042 /nfs/dbraw/zinc/07/40/42/340074042.db2.gz SOBOEJDVIFOPFW-UHFFFAOYSA-N 1 3 323.484 4.047 20 0 DIADHO Cc1cccc(C)c1C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501083060 340074043 /nfs/dbraw/zinc/07/40/43/340074043.db2.gz SOBOEJDVIFOPFW-UHFFFAOYSA-N 1 3 323.484 4.047 20 0 DIADHO COc1cc([C@@H](C)NCCCC[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000504900204 340155277 /nfs/dbraw/zinc/15/52/77/340155277.db2.gz SZUJBAPARIJTGV-JKSUJKDBSA-N 1 3 322.468 4.140 20 0 DIADHO COc1cc([C@@H](C)NCCCC[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000504900204 340155278 /nfs/dbraw/zinc/15/52/78/340155278.db2.gz SZUJBAPARIJTGV-JKSUJKDBSA-N 1 3 322.468 4.140 20 0 DIADHO CCc1ccc(CNCc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000302753409 340281363 /nfs/dbraw/zinc/28/13/63/340281363.db2.gz YTMLXDPQBFXAIK-UHFFFAOYSA-N 1 3 310.485 4.381 20 0 DIADHO CCCN1CC[C@H](C[NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000510122126 340289546 /nfs/dbraw/zinc/28/95/46/340289546.db2.gz SOXNWNCXDNINDC-LJQANCHMSA-N 1 3 322.496 4.140 20 0 DIADHO CCCN1CCC([N@H+](C)Cc2ccc(OCC(C)C)cc2)CC1 ZINC000510466767 340300324 /nfs/dbraw/zinc/30/03/24/340300324.db2.gz AODVDWMFLRAZEM-UHFFFAOYSA-N 1 3 318.505 4.028 20 0 DIADHO CCCN1CCC([N@@H+](C)Cc2ccc(OCC(C)C)cc2)CC1 ZINC000510466767 340300325 /nfs/dbraw/zinc/30/03/25/340300325.db2.gz AODVDWMFLRAZEM-UHFFFAOYSA-N 1 3 318.505 4.028 20 0 DIADHO C[C@H](CCc1c(F)cccc1F)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000510733988 340308620 /nfs/dbraw/zinc/30/86/20/340308620.db2.gz LICTYLTUPXFHEZ-CYBMUJFWSA-N 1 3 324.459 4.185 20 0 DIADHO C[C@H](CCc1c(F)cccc1F)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000510733988 340308621 /nfs/dbraw/zinc/30/86/21/340308621.db2.gz LICTYLTUPXFHEZ-CYBMUJFWSA-N 1 3 324.459 4.185 20 0 DIADHO C[C@@H]([NH2+]Cc1ccc2occc2c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000511912618 340342741 /nfs/dbraw/zinc/34/27/41/340342741.db2.gz QQDAWKQUWGXIEJ-CRAIPNDOSA-N 1 3 312.457 4.175 20 0 DIADHO Cc1cccc([C@@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000173838376 340375439 /nfs/dbraw/zinc/37/54/39/340375439.db2.gz QEBNFRFJIQFKRB-GOSISDBHSA-N 1 3 308.469 4.442 20 0 DIADHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(F)c1 ZINC000173838266 340375451 /nfs/dbraw/zinc/37/54/51/340375451.db2.gz LVGVIXICMJDLGQ-MRXNPFEDSA-N 1 3 312.432 4.272 20 0 DIADHO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C1CCN(CC2CC2)CC1 ZINC000513031231 340389668 /nfs/dbraw/zinc/38/96/68/340389668.db2.gz KITRMCQZAOKIRU-NTCAYCPXSA-N 1 3 318.892 4.207 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)N[C@H]1CCc2c1c(F)ccc2F ZINC000513495249 340410713 /nfs/dbraw/zinc/41/07/13/340410713.db2.gz NGBWCBHUIMRQTP-GUYCJALGSA-N 1 3 310.432 4.052 20 0 DIADHO c1cc2c(s1)CCC[C@@H]2N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000227381709 340598504 /nfs/dbraw/zinc/59/85/04/340598504.db2.gz LUHQWDLGUKCUOI-LLLHUVSDSA-N 1 3 304.503 4.026 20 0 DIADHO C[C@H]([NH2+]Cc1ccccc1-c1ccc(CN(C)C)cc1)C1CC1 ZINC000237507969 340671704 /nfs/dbraw/zinc/67/17/04/340671704.db2.gz FURSTEQYVBOSOH-INIZCTEOSA-N 1 3 308.469 4.303 20 0 DIADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCC(F)(F)F ZINC000541546013 340973693 /nfs/dbraw/zinc/97/36/93/340973693.db2.gz NBPPLQLVEWALCH-KKUMJFAQSA-N 1 3 308.432 4.208 20 0 DIADHO C[NH+]1CCC(C)(CNCc2cnc(C3CCCCC3)s2)CC1 ZINC000541870765 340986545 /nfs/dbraw/zinc/98/65/45/340986545.db2.gz QVQNDBHBOXUPAU-UHFFFAOYSA-N 1 3 321.534 4.012 20 0 DIADHO Cc1cccc(CCC[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000542529542 341012340 /nfs/dbraw/zinc/01/23/40/341012340.db2.gz IYVRVQVQTRJONI-QUCCMNQESA-N 1 3 314.517 4.170 20 0 DIADHO Clc1ccc2c(c1)[C@H](N1CCC(C[NH+]3CCCC3)CC1)CC2 ZINC000543138815 341033720 /nfs/dbraw/zinc/03/37/20/341033720.db2.gz JNSRJFNLAQVMOU-LJQANCHMSA-N 1 3 318.892 4.135 20 0 DIADHO C[C@H](C[NH2+]C1CCN(CC2CCCC2)CC1)Cc1ccccc1 ZINC000543446381 341045137 /nfs/dbraw/zinc/04/51/37/341045137.db2.gz DVMSIQHBISBHKL-SFHVURJKSA-N 1 3 314.517 4.109 20 0 DIADHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc(-c2ccccc2)s1 ZINC000543626603 341051675 /nfs/dbraw/zinc/05/16/75/341051675.db2.gz FSCMXIWSQAQRIB-HNNXBMFYSA-N 1 3 312.482 4.328 20 0 DIADHO C[N@@H+]1CCC[C@@H](CN[C@@H](c2cc3ccccc3o2)C(C)(C)C)C1 ZINC000543707158 341054429 /nfs/dbraw/zinc/05/44/29/341054429.db2.gz BYJZGAHKVIXKLK-KXBFYZLASA-N 1 3 314.473 4.451 20 0 DIADHO C[N@H+]1CCC[C@@H](CN[C@@H](c2cc3ccccc3o2)C(C)(C)C)C1 ZINC000543707158 341054430 /nfs/dbraw/zinc/05/44/30/341054430.db2.gz BYJZGAHKVIXKLK-KXBFYZLASA-N 1 3 314.473 4.451 20 0 DIADHO CC(C)[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc(F)c(F)c1 ZINC000543775011 341058082 /nfs/dbraw/zinc/05/80/82/341058082.db2.gz HDKVZBVIEDTXNL-HNAYVOBHSA-N 1 3 324.459 4.372 20 0 DIADHO CC(C)C[NH+]1CCC(N[C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000544039457 341067529 /nfs/dbraw/zinc/06/75/29/341067529.db2.gz PSHQRFMUVGNYEV-UXHICEINSA-N 1 3 314.517 4.279 20 0 DIADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2ccccc2)s1 ZINC000544578316 341086915 /nfs/dbraw/zinc/08/69/15/341086915.db2.gz ZNYLXUROAACWQL-HOTGVXAUSA-N 1 3 314.498 4.408 20 0 DIADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2)s1 ZINC000544578316 341086916 /nfs/dbraw/zinc/08/69/16/341086916.db2.gz ZNYLXUROAACWQL-HOTGVXAUSA-N 1 3 314.498 4.408 20 0 DIADHO c1ccc([C@H]2CC[C@@H]([NH2+]C3CCN(C4CCCC4)CC3)C2)cc1 ZINC000133293765 341170509 /nfs/dbraw/zinc/17/05/09/341170509.db2.gz ZNERQYUEQSVRLV-AZUAARDMSA-N 1 3 312.501 4.319 20 0 DIADHO CC(C)SCCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000549138971 341287018 /nfs/dbraw/zinc/28/70/18/341287018.db2.gz OSYYAMVUGHJIJO-PKOBYXMFSA-N 1 3 320.546 4.113 20 0 DIADHO CC(C)SCCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000549138971 341287019 /nfs/dbraw/zinc/28/70/19/341287019.db2.gz OSYYAMVUGHJIJO-PKOBYXMFSA-N 1 3 320.546 4.113 20 0 DIADHO CSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000245455505 341295073 /nfs/dbraw/zinc/29/50/73/341295073.db2.gz IESXJZHEBZRHFF-CVEARBPZSA-N 1 3 306.519 4.180 20 0 DIADHO CCN1CC[C@H](C[NH2+]Cc2sc3c(cccc3Cl)c2C)C1 ZINC000549710701 341301122 /nfs/dbraw/zinc/30/11/22/341301122.db2.gz ASAPCYGNSCCLER-CYBMUJFWSA-N 1 3 322.905 4.295 20 0 DIADHO CC[N@@H+]1CC[C@H](CNCc2sc3c(cccc3Cl)c2C)C1 ZINC000549710701 341301123 /nfs/dbraw/zinc/30/11/23/341301123.db2.gz ASAPCYGNSCCLER-CYBMUJFWSA-N 1 3 322.905 4.295 20 0 DIADHO CC[N@H+]1CC[C@H](CNCc2sc3c(cccc3Cl)c2C)C1 ZINC000549710701 341301124 /nfs/dbraw/zinc/30/11/24/341301124.db2.gz ASAPCYGNSCCLER-CYBMUJFWSA-N 1 3 322.905 4.295 20 0 DIADHO CC(C)(C)N1CCC([NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000550096731 341309840 /nfs/dbraw/zinc/30/98/40/341309840.db2.gz LDUQNUALAHDCNC-UHFFFAOYSA-N 1 3 300.490 4.307 20 0 DIADHO CCOc1c(Cl)cccc1CNCCCCC[NH+]1CCCC1 ZINC000550262644 341313655 /nfs/dbraw/zinc/31/36/55/341313655.db2.gz LAOXCJKMDIAZEM-UHFFFAOYSA-N 1 3 324.896 4.094 20 0 DIADHO CN1CCC([C@@H]2CC[N@H+](Cc3cccc4ccccc43)C2)CC1 ZINC000550644955 341320306 /nfs/dbraw/zinc/32/03/06/341320306.db2.gz ORVJPPOOJRDTRX-LJQANCHMSA-N 1 3 308.469 4.004 20 0 DIADHO CN1CCC([C@@H]2CC[N@@H+](Cc3cccc4ccccc43)C2)CC1 ZINC000550644955 341320307 /nfs/dbraw/zinc/32/03/07/341320307.db2.gz ORVJPPOOJRDTRX-LJQANCHMSA-N 1 3 308.469 4.004 20 0 DIADHO C[C@@H]1C[C@@H]1[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000246500116 341350945 /nfs/dbraw/zinc/35/09/45/341350945.db2.gz SNCNOLURGMAZDJ-FRULXJFHSA-N 1 3 306.881 4.109 20 0 DIADHO C[C@@H]1C[C@@H]1[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000246500116 341350946 /nfs/dbraw/zinc/35/09/46/341350946.db2.gz SNCNOLURGMAZDJ-FRULXJFHSA-N 1 3 306.881 4.109 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)C1 ZINC000551833024 341353298 /nfs/dbraw/zinc/35/32/98/341353298.db2.gz FXRVMJWAEKMSBZ-NRSPTQNISA-N 1 3 314.517 4.423 20 0 DIADHO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000248407186 341376833 /nfs/dbraw/zinc/37/68/33/341376833.db2.gz UBSIFFWWGNISKC-UXLLHSPISA-N 1 3 304.453 4.129 20 0 DIADHO Cc1c([C@@H](C)NCCCC[N@@H+]2CCCC[C@H]2C)cnn1C(C)C ZINC000248688234 341384329 /nfs/dbraw/zinc/38/43/29/341384329.db2.gz IDALMEHOLUUFND-IAGOWNOFSA-N 1 3 320.525 4.078 20 0 DIADHO Cc1c([C@@H](C)NCCCC[N@H+]2CCCC[C@H]2C)cnn1C(C)C ZINC000248688234 341384330 /nfs/dbraw/zinc/38/43/30/341384330.db2.gz IDALMEHOLUUFND-IAGOWNOFSA-N 1 3 320.525 4.078 20 0 DIADHO CC[NH+](CC)CC1CCN(Cc2ccc(C(C)C)nc2C)CC1 ZINC000555315567 341479663 /nfs/dbraw/zinc/47/96/63/341479663.db2.gz KYCXSMBWBKWQEG-UHFFFAOYSA-N 1 3 317.521 4.067 20 0 DIADHO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000566092562 341547458 /nfs/dbraw/zinc/54/74/58/341547458.db2.gz VZFZHYYTJQCXBZ-XDQVBPFNSA-N 1 3 314.395 4.057 20 0 DIADHO CCCCOc1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2)cc1 ZINC000573445164 341728712 /nfs/dbraw/zinc/72/87/12/341728712.db2.gz QPNYHTPNTOUFEL-MRXNPFEDSA-N 1 3 312.457 4.175 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000573950984 341744070 /nfs/dbraw/zinc/74/40/70/341744070.db2.gz HHONJGNHPHJLFD-ZYSHUDEJSA-N 1 3 323.484 4.226 20 0 DIADHO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccs1 ZINC000123022607 525456380 /nfs/dbraw/zinc/45/63/80/525456380.db2.gz FOCHBJQTLWTNOS-HNNXBMFYSA-N 1 3 300.471 4.195 20 0 DIADHO CC(C)(C)[NH+]1CCC(N[C@]2(C)CCCc3ccccc32)CC1 ZINC000579747243 1035548331 /nfs/dbraw/zinc/54/83/31/1035548331.db2.gz GAZMUQJSTIFSCY-HXUWFJFHSA-N 1 3 300.490 4.091 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCCc3c(O)cccc32)c1 ZINC000340472722 1036692821 /nfs/dbraw/zinc/69/28/21/1036692821.db2.gz AGVJGOAXPROCBI-FQEVSTJZSA-N 1 3 324.468 4.011 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCCc3c(O)cccc32)c1 ZINC000340472722 1036692827 /nfs/dbraw/zinc/69/28/27/1036692827.db2.gz AGVJGOAXPROCBI-FQEVSTJZSA-N 1 3 324.468 4.011 20 0 DIADHO Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@@H](CN3CCCCC3)C2)c(C)c1 ZINC001167429871 1037248796 /nfs/dbraw/zinc/24/87/96/1037248796.db2.gz NRANUTTZTWQVCV-PMACEKPBSA-N 1 3 314.517 4.481 20 0 DIADHO Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H](CN3CCCCC3)C2)c(C)c1 ZINC001167429871 1037248802 /nfs/dbraw/zinc/24/88/02/1037248802.db2.gz NRANUTTZTWQVCV-PMACEKPBSA-N 1 3 314.517 4.481 20 0 DIADHO Cc1cc(C)c([C@H](C)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC001167429871 1037248810 /nfs/dbraw/zinc/24/88/10/1037248810.db2.gz NRANUTTZTWQVCV-PMACEKPBSA-N 1 3 314.517 4.481 20 0 DIADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(Cl)c(F)c2)cc1 ZINC000581005772 1037402485 /nfs/dbraw/zinc/40/24/85/1037402485.db2.gz JANKXNXIGHYVCU-RYUDHWBXSA-N 1 3 306.812 4.350 20 0 DIADHO CCC[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000535685700 1038314717 /nfs/dbraw/zinc/31/47/17/1038314717.db2.gz LOPXWTBMDPXZRF-KBXCAEBGSA-N 1 3 306.881 4.039 20 0 DIADHO CCC[N@H+]1CC[C@@H](CN[C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000535685700 1038314728 /nfs/dbraw/zinc/31/47/28/1038314728.db2.gz LOPXWTBMDPXZRF-KBXCAEBGSA-N 1 3 306.881 4.039 20 0 DIADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C(F)F)c(F)c2)C[C@H]1C ZINC000892102100 1038514046 /nfs/dbraw/zinc/51/40/46/1038514046.db2.gz CJDJYUZVCZAQCO-TZMCWYRMSA-N 1 3 314.395 4.068 20 0 DIADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C(F)F)c(F)c2)C[C@H]1C ZINC000892102100 1038514051 /nfs/dbraw/zinc/51/40/51/1038514051.db2.gz CJDJYUZVCZAQCO-TZMCWYRMSA-N 1 3 314.395 4.068 20 0 DIADHO c1ccc2cc(CCN3CCC[C@H]([NH+]4CCCC4)CC3)ccc2c1 ZINC000606447887 1038603718 /nfs/dbraw/zinc/60/37/18/1038603718.db2.gz LMOQVXZRHQIJIP-QFIPXVFZSA-N 1 3 322.496 4.333 20 0 DIADHO Cc1ccccc1-c1cccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000608061140 1038761084 /nfs/dbraw/zinc/76/10/84/1038761084.db2.gz ABCQFCGHOYBLCI-FXAWDEMLSA-N 1 3 308.469 4.234 20 0 DIADHO Cc1ccccc1-c1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000608061140 1038761094 /nfs/dbraw/zinc/76/10/94/1038761094.db2.gz ABCQFCGHOYBLCI-FXAWDEMLSA-N 1 3 308.469 4.234 20 0 DIADHO C[C@H]1c2ccccc2C[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000657616539 1038910795 /nfs/dbraw/zinc/91/07/95/1038910795.db2.gz KZNMZVZQSLPZDG-HRAATJIYSA-N 1 3 312.501 4.102 20 0 DIADHO CC1(C)CC([NH3+])CC(C)(C)N1c1ccncc1-c1ccccc1 ZINC001167625039 1038967766 /nfs/dbraw/zinc/96/77/66/1038967766.db2.gz KNSGIXHKOAGQFQ-UHFFFAOYSA-N 1 3 309.457 4.233 20 0 DIADHO C[C@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccsc1 ZINC000669850861 1039394791 /nfs/dbraw/zinc/39/47/91/1039394791.db2.gz MRWKFPFIAYHJQS-GJZGRUSLSA-N 1 3 318.486 4.100 20 0 DIADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C3CCC(F)(F)CC3)CC2)C1 ZINC000540155015 1039434160 /nfs/dbraw/zinc/43/41/60/1039434160.db2.gz DWKYYTDHAQXBPR-WMLDXEAASA-N 1 3 314.464 4.197 20 0 DIADHO C[C@H]1C[C@H]1[C@H](N[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000540189086 1039442128 /nfs/dbraw/zinc/44/21/28/1039442128.db2.gz WUNXEYHDASXHFD-ZRYOEQAYSA-N 1 3 320.908 4.355 20 0 DIADHO C[C@H]1C[C@H]1[C@H](N[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000540189086 1039442147 /nfs/dbraw/zinc/44/21/47/1039442147.db2.gz WUNXEYHDASXHFD-ZRYOEQAYSA-N 1 3 320.908 4.355 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@@H](CCC(C)C)c1ccoc1 ZINC000650756549 1039462232 /nfs/dbraw/zinc/46/22/32/1039462232.db2.gz DKTBARXEKRHPMP-IBGZPJMESA-N 1 3 300.446 4.266 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@@H]1C[C@H](C)Sc2sccc21 ZINC000650758646 1039469251 /nfs/dbraw/zinc/46/92/51/1039469251.db2.gz UQKLXWYCAXQNGZ-BLLLJJGKSA-N 1 3 318.511 4.183 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000650758125 1039470359 /nfs/dbraw/zinc/47/03/59/1039470359.db2.gz JUJKNKFXGMPCJW-INIZCTEOSA-N 1 3 312.457 4.044 20 0 DIADHO Cc1cc([C@H]([NH2+][C@H]2CCC[C@@H](N(C)C)C2)C2CC2)ccc1F ZINC000540321862 1039475927 /nfs/dbraw/zinc/47/59/27/1039475927.db2.gz ZRVSITNOSIDLOJ-YQVWRLOYSA-N 1 3 304.453 4.048 20 0 DIADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccccc1C(F)(F)F ZINC000540459086 1039496943 /nfs/dbraw/zinc/49/69/43/1039496943.db2.gz IHINQZWNOGDMPO-UONOGXRCSA-N 1 3 314.395 4.230 20 0 DIADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccccc1C(F)(F)F ZINC000540459083 1039496973 /nfs/dbraw/zinc/49/69/73/1039496973.db2.gz IHINQZWNOGDMPO-KBPBESRZSA-N 1 3 314.395 4.230 20 0 DIADHO C[C@H]([NH2+]CCCN1CCCC[C@H]1C)c1cc2ccncc2s1 ZINC000657824563 1039585520 /nfs/dbraw/zinc/58/55/20/1039585520.db2.gz URSKURNDMYDZGN-CABCVRRESA-N 1 3 317.502 4.211 20 0 DIADHO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC[C@H]1CCCCN1C ZINC000541660433 1039726420 /nfs/dbraw/zinc/72/64/20/1039726420.db2.gz DMNBSZFIKDQISE-HZPDHXFCSA-N 1 3 300.446 4.266 20 0 DIADHO Cc1ccc([C@H](C)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC000647344703 1040005999 /nfs/dbraw/zinc/00/59/99/1040005999.db2.gz XMFNLYWCKBUPBZ-JQHSSLGASA-N 1 3 314.498 4.053 20 0 DIADHO Cc1ccc([C@H](C)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC000647344703 1040006019 /nfs/dbraw/zinc/00/60/19/1040006019.db2.gz XMFNLYWCKBUPBZ-JQHSSLGASA-N 1 3 314.498 4.053 20 0 DIADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cc(-c2ccccc2)cs1 ZINC000685470308 1040066543 /nfs/dbraw/zinc/06/65/43/1040066543.db2.gz FHTZFTRFZVEQIU-BEFAXECRSA-N 1 3 314.498 4.187 20 0 DIADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cc(-c2ccccc2)cs1 ZINC000685470308 1040066556 /nfs/dbraw/zinc/06/65/56/1040066556.db2.gz FHTZFTRFZVEQIU-BEFAXECRSA-N 1 3 314.498 4.187 20 0 DIADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cc(-c2ccccc2)cs1 ZINC000685470312 1040068195 /nfs/dbraw/zinc/06/81/95/1040068195.db2.gz FHTZFTRFZVEQIU-KXBFYZLASA-N 1 3 314.498 4.187 20 0 DIADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cc(-c2ccccc2)cs1 ZINC000685470312 1040068206 /nfs/dbraw/zinc/06/82/06/1040068206.db2.gz FHTZFTRFZVEQIU-KXBFYZLASA-N 1 3 314.498 4.187 20 0 DIADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccsc1 ZINC000309704555 1040089134 /nfs/dbraw/zinc/08/91/34/1040089134.db2.gz HJSNZNVLWBTRDJ-BQFCYCMXSA-N 1 3 314.498 4.309 20 0 DIADHO C[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000309751678 1040094845 /nfs/dbraw/zinc/09/48/45/1040094845.db2.gz ZRHOUEDQSMSNED-BQFCYCMXSA-N 1 3 314.498 4.309 20 0 DIADHO C[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000309751678 1040094865 /nfs/dbraw/zinc/09/48/65/1040094865.db2.gz ZRHOUEDQSMSNED-BQFCYCMXSA-N 1 3 314.498 4.309 20 0 DIADHO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000309885437 1040099432 /nfs/dbraw/zinc/09/94/32/1040099432.db2.gz YVJCVHWPTQXCSY-MISYRCLQSA-N 1 3 300.490 4.067 20 0 DIADHO C[C@@H]1C[C@@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000310380612 1040118703 /nfs/dbraw/zinc/11/87/03/1040118703.db2.gz BIQDBZNNMXOERK-SFGWALBWSA-N 1 3 320.480 4.347 20 0 DIADHO C[C@@H]1C[C@@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000310380612 1040118716 /nfs/dbraw/zinc/11/87/16/1040118716.db2.gz BIQDBZNNMXOERK-SFGWALBWSA-N 1 3 320.480 4.347 20 0 DIADHO CCC[NH+]1CCC(N[C@H](C)c2cc3ccccc3s2)CC1 ZINC000223361178 1040240721 /nfs/dbraw/zinc/24/07/21/1040240721.db2.gz AUVCLQUWGNRZJN-CQSZACIVSA-N 1 3 302.487 4.426 20 0 DIADHO C[C@@H](CCC(C)(C)C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166075 1040338153 /nfs/dbraw/zinc/33/81/53/1040338153.db2.gz MGYIPHCDRCMAEH-KRWDZBQOSA-N 1 3 317.521 4.098 20 0 DIADHO CC(C)=CCC[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166102 1040339812 /nfs/dbraw/zinc/33/98/12/1040339812.db2.gz MKZHLFYLPSQVCL-GOSISDBHSA-N 1 3 315.505 4.018 20 0 DIADHO CC[C@H](C)C[C@H](CC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167911 1040340080 /nfs/dbraw/zinc/34/00/80/1040340080.db2.gz USFWIHPPGLRLPQ-PXNSSMCTSA-N 1 3 317.521 4.098 20 0 DIADHO CC(C)=CCC[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166104 1040340283 /nfs/dbraw/zinc/34/02/83/1040340283.db2.gz MKZHLFYLPSQVCL-SFHVURJKSA-N 1 3 315.505 4.018 20 0 DIADHO C[C@@H](c1ccc(F)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613420894 1040936835 /nfs/dbraw/zinc/93/68/35/1040936835.db2.gz LVYSUMBXYQBOLR-KRWDZBQOSA-N 1 3 318.480 4.475 20 0 DIADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(Cl)s1 ZINC000171128469 1040979457 /nfs/dbraw/zinc/97/94/57/1040979457.db2.gz DTBBFBHSJFEKTC-GFCCVEGCSA-N 1 3 308.878 4.314 20 0 DIADHO Cc1ccc(CN2CCC(C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC001140798273 1041025461 /nfs/dbraw/zinc/02/54/61/1041025461.db2.gz HFWFORXPFURZBC-UHFFFAOYSA-N 1 3 320.908 4.202 20 0 DIADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccsc2)CC1 ZINC000539820225 1041120172 /nfs/dbraw/zinc/12/01/72/1041120172.db2.gz HOKHHNZMDPGQDO-INIZCTEOSA-N 1 3 306.519 4.225 20 0 DIADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccsc2)CC1 ZINC000539820225 1041120180 /nfs/dbraw/zinc/12/01/80/1041120180.db2.gz HOKHHNZMDPGQDO-INIZCTEOSA-N 1 3 306.519 4.225 20 0 DIADHO CC1(C)[C@@H]2C[C@H](N3CCC([NH3+])(c4cccc(Cl)c4)CC3)C[C@@H]21 ZINC001170739955 1041804801 /nfs/dbraw/zinc/80/48/01/1041804801.db2.gz SZXGRXXNADZYHM-BJWYYQGGSA-N 1 3 318.892 4.024 20 0 DIADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651829466 1041926677 /nfs/dbraw/zinc/92/66/77/1041926677.db2.gz DCBAROCFJDRERH-MSOLQXFVSA-N 1 3 323.484 4.131 20 0 DIADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651829466 1041926684 /nfs/dbraw/zinc/92/66/84/1041926684.db2.gz DCBAROCFJDRERH-MSOLQXFVSA-N 1 3 323.484 4.131 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(F)cc2C)c1 ZINC000815576139 1041965669 /nfs/dbraw/zinc/96/56/69/1041965669.db2.gz KMYSBKZJRWMOFD-INIZCTEOSA-N 1 3 314.448 4.437 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(F)cc2C)c1 ZINC000815576139 1041965671 /nfs/dbraw/zinc/96/56/71/1041965671.db2.gz KMYSBKZJRWMOFD-INIZCTEOSA-N 1 3 314.448 4.437 20 0 DIADHO Cc1c2ccccc2oc1[C@@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817947711 1042130395 /nfs/dbraw/zinc/13/03/95/1042130395.db2.gz FZURWJIFEZEDHW-OAHLLOKOSA-N 1 3 308.425 4.093 20 0 DIADHO Cc1ccc([C@H](NCc2ccc(CC[NH3+])cc2)C2CCCC2)o1 ZINC000817950531 1042130610 /nfs/dbraw/zinc/13/06/10/1042130610.db2.gz ZJHOYTXBSAONGU-HXUWFJFHSA-N 1 3 312.457 4.110 20 0 DIADHO CC(C)c1cc(C(C)C)c(N[C@H](N)CCC[NH3+])c(C(C)C)c1 ZINC001170899397 1042147044 /nfs/dbraw/zinc/14/70/44/1042147044.db2.gz BPFMIIXBIXXAOF-SFHVURJKSA-N 1 3 305.510 4.492 20 0 DIADHO CCC1(CC)c2ccccc2-c2ccc(N[C@H](N)CCC[NH3+])cc21 ZINC001170901025 1042148797 /nfs/dbraw/zinc/14/87/97/1042148797.db2.gz UAWRGBSMVNILGB-FQEVSTJZSA-N 1 3 323.484 4.209 20 0 DIADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000391482861 1042374446 /nfs/dbraw/zinc/37/44/46/1042374446.db2.gz RGOHZNOUUMCSGV-FIKGOQFSSA-N 1 3 308.469 4.487 20 0 DIADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-c2ccccc2)cc1 ZINC000391482861 1042374451 /nfs/dbraw/zinc/37/44/51/1042374451.db2.gz RGOHZNOUUMCSGV-FIKGOQFSSA-N 1 3 308.469 4.487 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000513340048 1042534145 /nfs/dbraw/zinc/53/41/45/1042534145.db2.gz GNRXGZDGQJVQMB-KGLIPLIRSA-N 1 3 320.443 4.208 20 0 DIADHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccncc1Cl ZINC000421819842 1042653272 /nfs/dbraw/zinc/65/32/72/1042653272.db2.gz JHQDORFJDLKERZ-CABCVRRESA-N 1 3 309.885 4.040 20 0 DIADHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccncc1Cl ZINC000421819842 1042653278 /nfs/dbraw/zinc/65/32/78/1042653278.db2.gz JHQDORFJDLKERZ-CABCVRRESA-N 1 3 309.885 4.040 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000422709457 1042688339 /nfs/dbraw/zinc/68/83/39/1042688339.db2.gz DKFCQUNAAFRKOD-YWZLYKJASA-N 1 3 309.457 4.041 20 0 DIADHO [NH3+][C@@H]1C[C@@H](NCCCCCOC2CCCCC2)c2ccccc21 ZINC000422702405 1042688449 /nfs/dbraw/zinc/68/84/49/1042688449.db2.gz FBYHEMUPVLREJE-WOJBJXKFSA-N 1 3 316.489 4.240 20 0 DIADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CCCC[C@@H]2C(F)(F)F)c2ccccc21 ZINC000422819973 1042690566 /nfs/dbraw/zinc/69/05/66/1042690566.db2.gz OQJHQFXRAXGMIY-KSYCFECVSA-N 1 3 312.379 4.090 20 0 DIADHO CC[C@H]([NH2+][C@H](C)c1ccc(CN)nc1C)c1ccc(Cl)cc1 ZINC000422822590 1042690997 /nfs/dbraw/zinc/69/09/97/1042690997.db2.gz KEQBHGUTEUCSGL-ACJLOTCBSA-N 1 3 317.864 4.304 20 0 DIADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c2ccccc21 ZINC000422844881 1042691834 /nfs/dbraw/zinc/69/18/34/1042691834.db2.gz ANDZAKSAHAOYNI-BHTHQVBYSA-N 1 3 312.379 4.090 20 0 DIADHO CCc1cccc2c(CCN[C@@H]3C[C@H]([NH3+])c4ccccc43)c[nH]c21 ZINC000422907451 1042692302 /nfs/dbraw/zinc/69/23/02/1042692302.db2.gz BWDNABHKLVNKPD-VQTJNVASSA-N 1 3 319.452 4.007 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000423039213 1042695978 /nfs/dbraw/zinc/69/59/78/1042695978.db2.gz DZCZFUFTFBXTLN-IIBYNOLFSA-N 1 3 323.484 4.431 20 0 DIADHO C[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(-c2ccc(F)cc2)s1 ZINC000423210121 1042699742 /nfs/dbraw/zinc/69/97/42/1042699742.db2.gz JSTNWPRTPMYQQP-UONOGXRCSA-N 1 3 318.461 4.204 20 0 DIADHO CC(C)(N)C[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000423287256 1042703958 /nfs/dbraw/zinc/70/39/58/1042703958.db2.gz LCZKRZFSLPQCSC-CQSZACIVSA-N 1 3 308.878 4.012 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2C[C@H](C)Sc3sccc32)cc1 ZINC000423290664 1042704350 /nfs/dbraw/zinc/70/43/50/1042704350.db2.gz DYZDPAXYBKOXFN-OZVIIMIRSA-N 1 3 318.511 4.483 20 0 DIADHO CCCOc1ccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423291082 1042705058 /nfs/dbraw/zinc/70/50/58/1042705058.db2.gz GPPOOJBMXRWQDP-JKSUJKDBSA-N 1 3 312.457 4.346 20 0 DIADHO Cc1cc2c(cc1C)[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)CCCO2 ZINC000423291915 1042705318 /nfs/dbraw/zinc/70/53/18/1042705318.db2.gz KNOPVAKDRXRJST-JXFKEZNVSA-N 1 3 324.468 4.327 20 0 DIADHO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC[C@H](C)C[NH3+] ZINC000423294247 1042706113 /nfs/dbraw/zinc/70/61/13/1042706113.db2.gz BMXJFFFQPBPGQE-MNOVXSKESA-N 1 3 323.893 4.017 20 0 DIADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cccc(OC(F)F)c1 ZINC000423296379 1042706195 /nfs/dbraw/zinc/70/61/95/1042706195.db2.gz YZYJSJSLSXAEGC-QWHCGFSZSA-N 1 3 320.383 4.159 20 0 DIADHO Cc1cc(C)c2c(c1)[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)CCCO2 ZINC000423296017 1042706232 /nfs/dbraw/zinc/70/62/32/1042706232.db2.gz YFONYANYBPRSJM-OXQOHEQNSA-N 1 3 324.468 4.327 20 0 DIADHO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)N ZINC000423451016 1042712232 /nfs/dbraw/zinc/71/22/32/1042712232.db2.gz UIGLCWZQNYGACI-VWYCJHECSA-N 1 3 323.893 4.158 20 0 DIADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000423450296 1042712577 /nfs/dbraw/zinc/71/25/77/1042712577.db2.gz XDMYSYNQGUVDPX-RIEGTJTDSA-N 1 3 313.272 4.032 20 0 DIADHO Cc1nc(-c2cc([C@H](C)[NH2+][C@@H]3CCCC[C@H]3N)cs2)cs1 ZINC000424371763 1042738642 /nfs/dbraw/zinc/73/86/42/1042738642.db2.gz GNONNHTUPGJLBH-ZLKJLUDKSA-N 1 3 321.515 4.101 20 0 DIADHO CN1CCC[C@@H]2C[N@@H+](C(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000514083313 1042770353 /nfs/dbraw/zinc/77/03/53/1042770353.db2.gz MJPPXWVSVSCFMG-NHCUHLMSSA-N 1 3 320.480 4.192 20 0 DIADHO CN1CCC[C@@H]2C[N@H+](C(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000514083313 1042770358 /nfs/dbraw/zinc/77/03/58/1042770358.db2.gz MJPPXWVSVSCFMG-NHCUHLMSSA-N 1 3 320.480 4.192 20 0 DIADHO CC(C)[N@H+](C)CC1CCN(C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000517202352 1042871651 /nfs/dbraw/zinc/87/16/51/1042871651.db2.gz FCLDEGIRDUYICR-SNAWJCMRSA-N 1 3 322.443 4.030 20 0 DIADHO CC(C)[N@@H+](C)CC1CCN(C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000517202352 1042871656 /nfs/dbraw/zinc/87/16/56/1042871656.db2.gz FCLDEGIRDUYICR-SNAWJCMRSA-N 1 3 322.443 4.030 20 0 DIADHO C[C@H](C[NH2+][C@H]1CCCSc2ccc(Cl)cc21)CN(C)C ZINC000425926355 1042875681 /nfs/dbraw/zinc/87/56/81/1042875681.db2.gz RYMAFPWZDSUWQT-DOMZBBRYSA-N 1 3 312.910 4.054 20 0 DIADHO Cc1ccc2cc([C@H](C)[NH2+]C3CCN(CC4CC4)CC3)oc2c1 ZINC000425932091 1042876687 /nfs/dbraw/zinc/87/66/87/1042876687.db2.gz UACHJCVZNNAIJP-HNNXBMFYSA-N 1 3 312.457 4.266 20 0 DIADHO Cc1ccc(CNC2CC[NH+](Cc3ccccc3C)CC2)cc1C ZINC000518762328 1042920001 /nfs/dbraw/zinc/92/00/01/1042920001.db2.gz QEHQHKOUHIKOLR-UHFFFAOYSA-N 1 3 322.496 4.366 20 0 DIADHO CN1CCC[C@@H]1CC[N@H+](C)C1c2ccccc2-c2ccccc21 ZINC001167966877 1042952337 /nfs/dbraw/zinc/95/23/37/1042952337.db2.gz BHCYCZORWYAPQC-MRXNPFEDSA-N 1 3 306.453 4.173 20 0 DIADHO CN1CCC[C@@H]1CC[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC001167966877 1042952341 /nfs/dbraw/zinc/95/23/41/1042952341.db2.gz BHCYCZORWYAPQC-MRXNPFEDSA-N 1 3 306.453 4.173 20 0 DIADHO CC[C@H](c1ccc(F)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441411724 1043045240 /nfs/dbraw/zinc/04/52/40/1043045240.db2.gz HDWVUWASFNCXOC-DBVUQKKJSA-N 1 3 316.464 4.226 20 0 DIADHO CC[C@H](c1ccc(F)cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441411724 1043045248 /nfs/dbraw/zinc/04/52/48/1043045248.db2.gz HDWVUWASFNCXOC-DBVUQKKJSA-N 1 3 316.464 4.226 20 0 DIADHO c1ccc([C@@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001167991989 1043052498 /nfs/dbraw/zinc/05/24/98/1043052498.db2.gz GDCSHMLHMVXWST-IZCSPVGOSA-N 1 3 324.512 4.271 20 0 DIADHO c1ccc([C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C2)cc1 ZINC001167991989 1043052512 /nfs/dbraw/zinc/05/25/12/1043052512.db2.gz GDCSHMLHMVXWST-IZCSPVGOSA-N 1 3 324.512 4.271 20 0 DIADHO c1ccc([C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)N3CC2CC2)cc1 ZINC001167995732 1043078329 /nfs/dbraw/zinc/07/83/29/1043078329.db2.gz PCQOSKQGAWDNHR-JKWVGCSGSA-N 1 3 310.485 4.229 20 0 DIADHO c1ccc([C@@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)N3CC2CC2)cc1 ZINC001167995732 1043078336 /nfs/dbraw/zinc/07/83/36/1043078336.db2.gz PCQOSKQGAWDNHR-JKWVGCSGSA-N 1 3 310.485 4.229 20 0 DIADHO Cc1cncc([C@@H](C)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000184263569 1043180244 /nfs/dbraw/zinc/18/02/44/1043180244.db2.gz FBPNDAFHGSEVKN-GOSISDBHSA-N 1 3 323.484 4.227 20 0 DIADHO CCC[C@@H](NCc1cccc(C[N@H+](C)CC)c1)c1cccnc1 ZINC000185352219 1043200767 /nfs/dbraw/zinc/20/07/67/1043200767.db2.gz XRFHQTMWDHJMIN-HXUWFJFHSA-N 1 3 311.473 4.164 20 0 DIADHO CCC[C@@H](NCc1cccc(C[N@@H+](C)CC)c1)c1cccnc1 ZINC000185352219 1043200784 /nfs/dbraw/zinc/20/07/84/1043200784.db2.gz XRFHQTMWDHJMIN-HXUWFJFHSA-N 1 3 311.473 4.164 20 0 DIADHO C[C@@H](N[C@H]1CCc2ccc(F)cc21)c1cccc(C[NH+](C)C)c1 ZINC000925374404 1043414941 /nfs/dbraw/zinc/41/49/41/1043414941.db2.gz NEWVRUBGNIPYKK-VLIAUNLRSA-N 1 3 312.432 4.225 20 0 DIADHO CC[C@H](CCC(F)(F)F)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000872041986 1043433599 /nfs/dbraw/zinc/43/35/99/1043433599.db2.gz YJOYPNSXBNKRFN-CQSZACIVSA-N 1 3 320.443 4.494 20 0 DIADHO CC[C@@H](CCC(F)(F)F)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000872041553 1043434202 /nfs/dbraw/zinc/43/42/02/1043434202.db2.gz UGDSCRGMQDOEKQ-ZDUSSCGKSA-N 1 3 306.416 4.104 20 0 DIADHO CCC1([NH3+])CCN([C@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000925756336 1043464754 /nfs/dbraw/zinc/46/47/54/1043464754.db2.gz KZAWPGPORVLOAZ-MRXNPFEDSA-N 1 3 309.457 4.013 20 0 DIADHO COc1ccc([C@H](C)N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1C ZINC000925832434 1043479649 /nfs/dbraw/zinc/47/96/49/1043479649.db2.gz VTPLYGSFDMEIKO-DBVUQKKJSA-N 1 3 324.468 4.148 20 0 DIADHO CCC[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccsc1 ZINC000191187744 1043543504 /nfs/dbraw/zinc/54/35/04/1043543504.db2.gz KHQAHDBAPNBWHN-GOSISDBHSA-N 1 3 302.487 4.441 20 0 DIADHO CCCCc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000314643672 1043557390 /nfs/dbraw/zinc/55/73/90/1043557390.db2.gz FNVCZVAXXRLBLW-AEFFLSMTSA-N 1 3 300.490 4.164 20 0 DIADHO CCCCc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000314643672 1043557401 /nfs/dbraw/zinc/55/74/01/1043557401.db2.gz FNVCZVAXXRLBLW-AEFFLSMTSA-N 1 3 300.490 4.164 20 0 DIADHO CC(C)Cc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000314675343 1043557577 /nfs/dbraw/zinc/55/75/77/1043557577.db2.gz JSMKKWYWWRSWQM-FUHWJXTLSA-N 1 3 300.490 4.020 20 0 DIADHO CC(C)Cc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000314675343 1043557589 /nfs/dbraw/zinc/55/75/89/1043557589.db2.gz JSMKKWYWWRSWQM-FUHWJXTLSA-N 1 3 300.490 4.020 20 0 DIADHO CC(C)Cc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000314675345 1043557792 /nfs/dbraw/zinc/55/77/92/1043557792.db2.gz JSMKKWYWWRSWQM-SJLPKXTDSA-N 1 3 300.490 4.020 20 0 DIADHO CC(C)Cc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000314675345 1043557794 /nfs/dbraw/zinc/55/77/94/1043557794.db2.gz JSMKKWYWWRSWQM-SJLPKXTDSA-N 1 3 300.490 4.020 20 0 DIADHO CCCCc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000314643676 1043558264 /nfs/dbraw/zinc/55/82/64/1043558264.db2.gz FNVCZVAXXRLBLW-SJLPKXTDSA-N 1 3 300.490 4.164 20 0 DIADHO CCCCc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000314643676 1043558271 /nfs/dbraw/zinc/55/82/71/1043558271.db2.gz FNVCZVAXXRLBLW-SJLPKXTDSA-N 1 3 300.490 4.164 20 0 DIADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000474066008 1043565982 /nfs/dbraw/zinc/56/59/82/1043565982.db2.gz NOKCZPUGFYOLCS-HOTGVXAUSA-N 1 3 316.480 4.158 20 0 DIADHO CCC[C@H](NCCCC[N@H+](C)C1CC1)c1ncccc1Cl ZINC000926558410 1043599645 /nfs/dbraw/zinc/59/96/45/1043599645.db2.gz IEZHTZRQZHWMEB-INIZCTEOSA-N 1 3 309.885 4.040 20 0 DIADHO CCC[C@H](NCCCC[N@@H+](C)C1CC1)c1ncccc1Cl ZINC000926558410 1043599653 /nfs/dbraw/zinc/59/96/53/1043599653.db2.gz IEZHTZRQZHWMEB-INIZCTEOSA-N 1 3 309.885 4.040 20 0 DIADHO CC[C@@H](C[NH2+]C1CCN(CCC(C)C)CC1)CC(F)(F)F ZINC000926586943 1043604853 /nfs/dbraw/zinc/60/48/53/1043604853.db2.gz IICZFIDEMUTDKC-CQSZACIVSA-N 1 3 308.432 4.065 20 0 DIADHO CC(C)CC[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccoc1 ZINC000353457019 1043608084 /nfs/dbraw/zinc/60/80/84/1043608084.db2.gz YBJCQWQMEKBAQC-IBGZPJMESA-N 1 3 304.478 4.221 20 0 DIADHO C[C@@H](N[C@@H](c1ccccn1)C1CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926753612 1043626550 /nfs/dbraw/zinc/62/65/50/1043626550.db2.gz WCFIEVLQMWZHBW-IIBYNOLFSA-N 1 3 323.484 4.335 20 0 DIADHO C[C@@H](N[C@H](c1ccccn1)C1CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926753610 1043626885 /nfs/dbraw/zinc/62/68/85/1043626885.db2.gz WCFIEVLQMWZHBW-IERDGZPVSA-N 1 3 323.484 4.335 20 0 DIADHO C[C@H](N[C@@H](c1ccccn1)C1CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926753608 1043626930 /nfs/dbraw/zinc/62/69/30/1043626930.db2.gz WCFIEVLQMWZHBW-HRAATJIYSA-N 1 3 323.484 4.335 20 0 DIADHO C[C@@H](N[C@@H](C)c1cc2cnccc2o1)c1cccc(C[NH+](C)C)c1 ZINC000926813127 1043637019 /nfs/dbraw/zinc/63/70/19/1043637019.db2.gz RGQSFCQRSBXIFB-CABCVRRESA-N 1 3 323.440 4.301 20 0 DIADHO C[C@H](N[C@@H](C)c1cccc(C[NH+](C)C)c1)c1cc2cnccc2o1 ZINC000926813130 1043638045 /nfs/dbraw/zinc/63/80/45/1043638045.db2.gz RGQSFCQRSBXIFB-GJZGRUSLSA-N 1 3 323.440 4.301 20 0 DIADHO c1cc2cc(CN[C@H]3CC[NH2+][C@H](c4ccccc4)C3)ccc2o1 ZINC000665237596 1043643951 /nfs/dbraw/zinc/64/39/51/1043643951.db2.gz FHJJVZNXOGOGEW-OALUTQOASA-N 1 3 306.409 4.016 20 0 DIADHO CC(C)N(C)CCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474464203 1043792441 /nfs/dbraw/zinc/79/24/41/1043792441.db2.gz LYPKVBNACQFSQQ-MELADBBJSA-N 1 3 314.926 4.213 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000474626392 1043858257 /nfs/dbraw/zinc/85/82/57/1043858257.db2.gz FBUGONHNCLPROP-OWCLPIDISA-N 1 3 308.897 4.154 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@H](C)c2ccc(Cl)cc2)C1 ZINC000474626391 1043859336 /nfs/dbraw/zinc/85/93/36/1043859336.db2.gz FBUGONHNCLPROP-HRCADAONSA-N 1 3 308.897 4.154 20 0 DIADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(-c3ccccc3)o1)C2 ZINC000289765753 1043875707 /nfs/dbraw/zinc/87/57/07/1043875707.db2.gz RCTSTKMEPSLKDK-JWTNVVGKSA-N 1 3 310.441 4.004 20 0 DIADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(-c3ccccc3)o1)C2 ZINC000289765753 1043875721 /nfs/dbraw/zinc/87/57/21/1043875721.db2.gz RCTSTKMEPSLKDK-JWTNVVGKSA-N 1 3 310.441 4.004 20 0 DIADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CCCCC1 ZINC000474729813 1043903216 /nfs/dbraw/zinc/90/32/16/1043903216.db2.gz GUDGEZOTJRTLRC-ICSRJNTNSA-N 1 3 314.517 4.109 20 0 DIADHO c1csc(CCC[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000561329061 1043928474 /nfs/dbraw/zinc/92/84/74/1043928474.db2.gz RZUOBTIZKRGSQI-UHFFFAOYSA-N 1 3 306.519 4.067 20 0 DIADHO c1csc(CCCNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000561329061 1043928482 /nfs/dbraw/zinc/92/84/82/1043928482.db2.gz RZUOBTIZKRGSQI-UHFFFAOYSA-N 1 3 306.519 4.067 20 0 DIADHO FC1(F)CCC[C@H]1CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000883265036 1044253583 /nfs/dbraw/zinc/25/35/83/1044253583.db2.gz QJPLBULFHBKOCL-HNNXBMFYSA-N 1 3 314.464 4.199 20 0 DIADHO CCc1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)s1 ZINC000522986827 1044257786 /nfs/dbraw/zinc/25/77/86/1044257786.db2.gz VBINMBUQCVVZPW-UHFFFAOYSA-N 1 3 316.514 4.441 20 0 DIADHO CCc1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)s1 ZINC000522986827 1044257802 /nfs/dbraw/zinc/25/78/02/1044257802.db2.gz VBINMBUQCVVZPW-UHFFFAOYSA-N 1 3 316.514 4.441 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000563570861 1044282892 /nfs/dbraw/zinc/28/28/92/1044282892.db2.gz JUQIIEYZFYKPIY-AYOQOUSVSA-N 1 3 320.908 4.296 20 0 DIADHO CC[NH+](CC)Cc1cccc(CNCc2ccc3[nH]ccc3c2)c1 ZINC000563898048 1044323273 /nfs/dbraw/zinc/32/32/73/1044323273.db2.gz CCVGCPADFDKQJJ-UHFFFAOYSA-N 1 3 321.468 4.300 20 0 DIADHO C/C(=C/c1ccccc1)CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475297524 1044348661 /nfs/dbraw/zinc/34/86/61/1044348661.db2.gz XNABGCAMNZMLHT-PZNLSKEWSA-N 1 3 320.480 4.202 20 0 DIADHO C/C(=C/c1ccccc1)CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475297524 1044348671 /nfs/dbraw/zinc/34/86/71/1044348671.db2.gz XNABGCAMNZMLHT-PZNLSKEWSA-N 1 3 320.480 4.202 20 0 DIADHO C[NH+](C)CC[C@@H](N[C@H]1CCSc2ccccc21)C(C)(C)C ZINC000361511975 1044413229 /nfs/dbraw/zinc/41/32/29/1044413229.db2.gz WDYBBFQTODKQTH-DOTOQJQBSA-N 1 3 306.519 4.180 20 0 DIADHO C[C@@H]1CCCCN1CCC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000565269234 1044423584 /nfs/dbraw/zinc/42/35/84/1044423584.db2.gz AFGBFEPFORVYOP-ICXUMSERSA-N 1 3 322.443 4.065 20 0 DIADHO C[C@@H]1CCCC[N@@H+]1CCCNC1CC(c2cc(F)cc(F)c2)C1 ZINC000565269234 1044423590 /nfs/dbraw/zinc/42/35/90/1044423590.db2.gz AFGBFEPFORVYOP-ICXUMSERSA-N 1 3 322.443 4.065 20 0 DIADHO C[C@@H]1CCCC[N@H+]1CCCNC1CC(c2cc(F)cc(F)c2)C1 ZINC000565269234 1044423595 /nfs/dbraw/zinc/42/35/95/1044423595.db2.gz AFGBFEPFORVYOP-ICXUMSERSA-N 1 3 322.443 4.065 20 0 DIADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)[C@H](C)c2ccc(Cl)cc2)C1 ZINC000566587743 1044500853 /nfs/dbraw/zinc/50/08/53/1044500853.db2.gz FNJBFTCLAIOGEW-JYJNAYRXSA-N 1 3 308.897 4.152 20 0 DIADHO C[C@H](NCc1ccc(F)c(C[NH+](C)C)c1)c1ccc(F)cc1F ZINC000120867776 1044515784 /nfs/dbraw/zinc/51/57/84/1044515784.db2.gz RLXQOUYKHRHMMD-LBPRGKRZSA-N 1 3 322.374 4.016 20 0 DIADHO Clc1ccc(C2CC(NC3CC([NH+]4CCCCC4)C3)C2)cc1 ZINC000475577015 1044521291 /nfs/dbraw/zinc/52/12/91/1044521291.db2.gz WPFOZQANEQGRNS-UHFFFAOYSA-N 1 3 318.892 4.193 20 0 DIADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(-c2cccnc2)cc1 ZINC000444618516 1044576665 /nfs/dbraw/zinc/57/66/65/1044576665.db2.gz JQSHAKRQVUQNSZ-SFHVURJKSA-N 1 3 323.484 4.275 20 0 DIADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(-c2cccnc2)cc1 ZINC000444618515 1044576966 /nfs/dbraw/zinc/57/69/66/1044576966.db2.gz JQSHAKRQVUQNSZ-GOSISDBHSA-N 1 3 323.484 4.275 20 0 DIADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccc2[nH]ccc2c1 ZINC000568236873 1044611802 /nfs/dbraw/zinc/61/18/02/1044611802.db2.gz XIGWJQYVTHFFTJ-UHFFFAOYSA-N 1 3 321.468 4.298 20 0 DIADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccc2[nH]ccc2c1 ZINC000568236873 1044611807 /nfs/dbraw/zinc/61/18/07/1044611807.db2.gz XIGWJQYVTHFFTJ-UHFFFAOYSA-N 1 3 321.468 4.298 20 0 DIADHO CCC1CC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000568569558 1044636878 /nfs/dbraw/zinc/63/68/78/1044636878.db2.gz BROJLRPDGTUULB-SKINQDTJSA-N 1 3 300.490 4.067 20 0 DIADHO C[C@H](Cc1ccsc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000568735131 1044647118 /nfs/dbraw/zinc/64/71/18/1044647118.db2.gz WPOUDWCFIZDVDV-OAHLLOKOSA-N 1 3 306.519 4.066 20 0 DIADHO C[C@H](Cc1ccsc1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000568735131 1044647123 /nfs/dbraw/zinc/64/71/23/1044647123.db2.gz WPOUDWCFIZDVDV-OAHLLOKOSA-N 1 3 306.519 4.066 20 0 DIADHO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC000570764247 1044781554 /nfs/dbraw/zinc/78/15/54/1044781554.db2.gz FUUOQKUUVOMZCO-DSLXNQLJSA-N 1 3 304.522 4.221 20 0 DIADHO CC1=C[C@H](C)C[C@H](C[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC000570764248 1044781952 /nfs/dbraw/zinc/78/19/52/1044781952.db2.gz FUUOQKUUVOMZCO-NQYYFHDYSA-N 1 3 304.522 4.221 20 0 DIADHO C[C@H](CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1)N1CCCCC1 ZINC000574081737 1044939280 /nfs/dbraw/zinc/93/92/80/1044939280.db2.gz KZCWSQAOGZOZFV-ICXUMSERSA-N 1 3 322.443 4.065 20 0 DIADHO C[C@H](CCNC1CC(c2cc(F)cc(F)c2)C1)[NH+]1CCCCC1 ZINC000574081737 1044939284 /nfs/dbraw/zinc/93/92/84/1044939284.db2.gz KZCWSQAOGZOZFV-ICXUMSERSA-N 1 3 322.443 4.065 20 0 DIADHO C[C@H](CCN1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000447726449 1045167521 /nfs/dbraw/zinc/16/75/21/1045167521.db2.gz FUXOEBRQHQBPMG-UYAOXDASSA-N 1 3 300.490 4.131 20 0 DIADHO CC(C)CN1CCC([NH2+][C@@H](C)c2cccc(C3CC3)c2)CC1 ZINC000579265219 1045303329 /nfs/dbraw/zinc/30/33/29/1045303329.db2.gz ZYGDBRBADCDKEW-INIZCTEOSA-N 1 3 300.490 4.335 20 0 DIADHO CC(C)OCCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449063607 1045338955 /nfs/dbraw/zinc/33/89/55/1045338955.db2.gz NCQUWAQVDSAVOG-UHFFFAOYSA-N 1 3 312.542 4.070 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)Cc2coc3ccccc23)C1 ZINC000449129633 1045350357 /nfs/dbraw/zinc/35/03/57/1045350357.db2.gz DABVCRFRUPCUBS-SJORKVTESA-N 1 3 314.473 4.074 20 0 DIADHO CSCC1CCC([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 ZINC000449231301 1045365644 /nfs/dbraw/zinc/36/56/44/1045365644.db2.gz DCUZWTHDMBVVOX-ZLZJIPBDSA-N 1 3 324.578 4.151 20 0 DIADHO CO[C@@H]([C@@H](C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000449631194 1045421800 /nfs/dbraw/zinc/42/18/00/1045421800.db2.gz OKCUFRVIMHNVTC-QAPCUYQASA-N 1 3 324.553 4.069 20 0 DIADHO C[C@H]1C[C@@H]1c1ccc(CNC2CCC([NH+]3CCCCC3)CC2)o1 ZINC000751148575 1045585674 /nfs/dbraw/zinc/58/56/74/1045585674.db2.gz XALOAUQZSCDZRN-LOTPSLMQSA-N 1 3 316.489 4.290 20 0 DIADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CCCc3ncccc32)cc1 ZINC000631567341 1045870117 /nfs/dbraw/zinc/87/01/17/1045870117.db2.gz FUQDFSQNHIKBJO-OAQYLSRUSA-N 1 3 323.484 4.091 20 0 DIADHO C[C@@H](CCc1ccco1)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000531692236 1045893887 /nfs/dbraw/zinc/89/38/87/1045893887.db2.gz JLBQXFNXKJCJCX-AOIWGVFYSA-N 1 3 318.505 4.233 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc2ncccc12 ZINC001137630637 1045909980 /nfs/dbraw/zinc/90/99/80/1045909980.db2.gz HXZKDBJAGZOUCT-RBUKOAKNSA-N 1 3 323.484 4.074 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc2ncccc12 ZINC001137630637 1045909989 /nfs/dbraw/zinc/90/99/89/1045909989.db2.gz HXZKDBJAGZOUCT-RBUKOAKNSA-N 1 3 323.484 4.074 20 0 DIADHO C[C@H](NCCCCC[NH+]1CCCCC1)c1cc(F)ccc1F ZINC000531718227 1045910791 /nfs/dbraw/zinc/91/07/91/1045910791.db2.gz RUNOWKWZJBLDJC-HNNXBMFYSA-N 1 3 310.432 4.272 20 0 DIADHO CC(C)[NH+]1CCC(CN(C)Cc2ccc(Cl)cc2F)CC1 ZINC001137660405 1045926185 /nfs/dbraw/zinc/92/61/85/1045926185.db2.gz IQKMDAOYGXHFFT-UHFFFAOYSA-N 1 3 312.860 4.031 20 0 DIADHO COc1ccc([C@@H](C)N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1C ZINC000902406873 1045992920 /nfs/dbraw/zinc/99/29/20/1045992920.db2.gz VTPLYGSFDMEIKO-UXPWSPDFSA-N 1 3 324.468 4.148 20 0 DIADHO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cc(Cl)ccc1OC ZINC000453335750 1046041305 /nfs/dbraw/zinc/04/13/05/1046041305.db2.gz DRELOQAUQDAVCY-UCMJJCQDSA-N 1 3 322.880 4.015 20 0 DIADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(C(F)(F)F)s1 ZINC000903069632 1046154804 /nfs/dbraw/zinc/15/48/04/1046154804.db2.gz IPVYBLVPJGBSGD-VXGBXAGGSA-N 1 3 320.424 4.149 20 0 DIADHO C[C@H](Cc1ccc(Cl)cc1)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001168163771 1046220322 /nfs/dbraw/zinc/22/03/22/1046220322.db2.gz BRDRKQVXJBYVDM-OAHLLOKOSA-N 1 3 320.908 4.255 20 0 DIADHO C[C@@H](Cc1ccc(Cl)cc1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001168166853 1046227989 /nfs/dbraw/zinc/22/79/89/1046227989.db2.gz NEAKJAXYARRGFF-MAUKXSAKSA-N 1 3 320.908 4.268 20 0 DIADHO C[C@@H](Cc1ccc(Cl)cc1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001168166853 1046227998 /nfs/dbraw/zinc/22/79/98/1046227998.db2.gz NEAKJAXYARRGFF-MAUKXSAKSA-N 1 3 320.908 4.268 20 0 DIADHO C[NH+]1CCC2(CN(Cc3ccc(-c4ccc(F)cc4)cc3)C2)CC1 ZINC001138684102 1046268115 /nfs/dbraw/zinc/26/81/15/1046268115.db2.gz DQFFENBYVHKURF-UHFFFAOYSA-N 1 3 324.443 4.020 20 0 DIADHO Cc1cccc(Cl)c1CN(C)CC1CC[NH+](C(C)C)CC1 ZINC001138719913 1046278145 /nfs/dbraw/zinc/27/81/45/1046278145.db2.gz IKNQGNVLTWCXDT-UHFFFAOYSA-N 1 3 308.897 4.201 20 0 DIADHO c1csc(CN[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638280805 1046308757 /nfs/dbraw/zinc/30/87/57/1046308757.db2.gz KIZAJAOBJHHQQV-LPHOPBHVSA-N 1 3 312.482 4.206 20 0 DIADHO c1csc(CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638280805 1046308772 /nfs/dbraw/zinc/30/87/72/1046308772.db2.gz KIZAJAOBJHHQQV-LPHOPBHVSA-N 1 3 312.482 4.206 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2o1 ZINC001139064440 1046373771 /nfs/dbraw/zinc/37/37/71/1046373771.db2.gz BCZADGLSKFUPTC-ZWKOTPCHSA-N 1 3 312.457 4.272 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc2ccccc2o1 ZINC001139064440 1046373785 /nfs/dbraw/zinc/37/37/85/1046373785.db2.gz BCZADGLSKFUPTC-ZWKOTPCHSA-N 1 3 312.457 4.272 20 0 DIADHO C[NH+]1CCC2(CN(Cc3cccc(-c4ccc(F)cc4)c3)C2)CC1 ZINC001139069739 1046378365 /nfs/dbraw/zinc/37/83/65/1046378365.db2.gz WIKGOOZDHVTWLQ-UHFFFAOYSA-N 1 3 324.443 4.020 20 0 DIADHO Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781428092 1046444822 /nfs/dbraw/zinc/44/48/22/1046444822.db2.gz ZNLIGNIKFJYZRA-MDKPJZGXSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781428092 1046444827 /nfs/dbraw/zinc/44/48/27/1046444827.db2.gz ZNLIGNIKFJYZRA-MDKPJZGXSA-N 1 3 312.501 4.225 20 0 DIADHO CC(C)N(Cc1ccc(-c2ccccc2)nc1)C1CC[NH+](C)CC1 ZINC001139523202 1046461763 /nfs/dbraw/zinc/46/17/63/1046461763.db2.gz ZCEZDTKFSYWSSE-UHFFFAOYSA-N 1 3 323.484 4.053 20 0 DIADHO C[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(-c2ccccc2)s1 ZINC000643522857 1046669986 /nfs/dbraw/zinc/66/99/86/1046669986.db2.gz TVFSTYROCXOJDC-GDBMZVCRSA-N 1 3 300.471 4.208 20 0 DIADHO c1csc([C@@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C2CCCC2)c1 ZINC000643547154 1046671607 /nfs/dbraw/zinc/67/16/07/1046671607.db2.gz ACHGFXIVQIFAMC-RDJZCZTQSA-N 1 3 304.503 4.244 20 0 DIADHO c1csc([C@@H]([NH2+][C@H]2CCNC3(CCC3)C2)C2CCCC2)c1 ZINC000643547154 1046671613 /nfs/dbraw/zinc/67/16/13/1046671613.db2.gz ACHGFXIVQIFAMC-RDJZCZTQSA-N 1 3 304.503 4.244 20 0 DIADHO [NH3+]CCC[C@H](N[C@H]1CCc2c1cc(F)cc2F)c1ccccc1 ZINC000643543799 1046671793 /nfs/dbraw/zinc/67/17/93/1046671793.db2.gz XTNLULNQCNUSSJ-OALUTQOASA-N 1 3 316.395 4.022 20 0 DIADHO c1ccc(-c2ccc(CCN[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)cc1 ZINC000678598567 1046672243 /nfs/dbraw/zinc/67/22/43/1046672243.db2.gz IWVHGRQXVFPMES-VXKWHMMOSA-N 1 3 320.480 4.113 20 0 DIADHO c1ccc(-c2ccc(CCN[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)cc1 ZINC000678598567 1046672248 /nfs/dbraw/zinc/67/22/48/1046672248.db2.gz IWVHGRQXVFPMES-VXKWHMMOSA-N 1 3 320.480 4.113 20 0 DIADHO CC(C)[C@@H](CSc1ccccc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548517 1046672930 /nfs/dbraw/zinc/67/29/30/1046672930.db2.gz QIPBKSDKYZNAFL-SJLPKXTDSA-N 1 3 318.530 4.068 20 0 DIADHO CC(C)[C@@H](CSc1ccccc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548517 1046672937 /nfs/dbraw/zinc/67/29/37/1046672937.db2.gz QIPBKSDKYZNAFL-SJLPKXTDSA-N 1 3 318.530 4.068 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000643548961 1046673478 /nfs/dbraw/zinc/67/34/78/1046673478.db2.gz YEEOOWUYMJCQES-RFQIPJPRSA-N 1 3 324.921 4.158 20 0 DIADHO CC(C)[C@H](CSc1ccccc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548515 1046673723 /nfs/dbraw/zinc/67/37/23/1046673723.db2.gz QIPBKSDKYZNAFL-AEFFLSMTSA-N 1 3 318.530 4.068 20 0 DIADHO CC(C)[C@H](CSc1ccccc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548515 1046673732 /nfs/dbraw/zinc/67/37/32/1046673732.db2.gz QIPBKSDKYZNAFL-AEFFLSMTSA-N 1 3 318.530 4.068 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678769168 1046696822 /nfs/dbraw/zinc/69/68/22/1046696822.db2.gz MUCVHXDARDISHY-FUHIMQAGSA-N 1 3 300.490 4.020 20 0 DIADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678769168 1046696826 /nfs/dbraw/zinc/69/68/26/1046696826.db2.gz MUCVHXDARDISHY-FUHIMQAGSA-N 1 3 300.490 4.020 20 0 DIADHO CC(C)[N@H+]1CCC[C@@H](CN[C@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678769168 1046696836 /nfs/dbraw/zinc/69/68/36/1046696836.db2.gz MUCVHXDARDISHY-FUHIMQAGSA-N 1 3 300.490 4.020 20 0 DIADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1cccc(C(F)(F)F)c1 ZINC000678997716 1046751908 /nfs/dbraw/zinc/75/19/08/1046751908.db2.gz ISPPMXBIWXMDEX-XJKSGUPXSA-N 1 3 314.395 4.230 20 0 DIADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1coc2ccccc12 ZINC001140786534 1046898084 /nfs/dbraw/zinc/89/80/84/1046898084.db2.gz FRDOWHBDOKAYKB-ROUUACIJSA-N 1 3 312.457 4.272 20 0 DIADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1coc2ccccc12 ZINC001140786534 1046898097 /nfs/dbraw/zinc/89/80/97/1046898097.db2.gz FRDOWHBDOKAYKB-ROUUACIJSA-N 1 3 312.457 4.272 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1coc2ccccc12 ZINC001140786534 1046898114 /nfs/dbraw/zinc/89/81/14/1046898114.db2.gz FRDOWHBDOKAYKB-ROUUACIJSA-N 1 3 312.457 4.272 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1coc2ccccc12 ZINC001140786534 1046898134 /nfs/dbraw/zinc/89/81/34/1046898134.db2.gz FRDOWHBDOKAYKB-ROUUACIJSA-N 1 3 312.457 4.272 20 0 DIADHO CN1CCC[C@@H]1CC[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC001168274277 1046973044 /nfs/dbraw/zinc/97/30/44/1046973044.db2.gz CAWVGDHBOIXTGO-YADHBBJMSA-N 1 3 320.480 4.270 20 0 DIADHO CN1CCC[C@@H]1CC[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC001168274277 1046973046 /nfs/dbraw/zinc/97/30/46/1046973046.db2.gz CAWVGDHBOIXTGO-YADHBBJMSA-N 1 3 320.480 4.270 20 0 DIADHO COc1ccccc1[C@H](NCc1ccc(C[NH3+])cc1)C1CCCC1 ZINC000647803191 1047015966 /nfs/dbraw/zinc/01/59/66/1047015966.db2.gz LDJMAKVFTHXOFJ-OAQYLSRUSA-N 1 3 324.468 4.175 20 0 DIADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccs1 ZINC000379624685 1047081021 /nfs/dbraw/zinc/08/10/21/1047081021.db2.gz JPYCVHBPRMTJKU-RYRKJORJSA-N 1 3 314.498 4.452 20 0 DIADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccs1 ZINC000379624685 1047081035 /nfs/dbraw/zinc/08/10/35/1047081035.db2.gz JPYCVHBPRMTJKU-RYRKJORJSA-N 1 3 314.498 4.452 20 0 DIADHO Cc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379651976 1047089842 /nfs/dbraw/zinc/08/98/42/1047089842.db2.gz VOJPAGVKISWNKI-NQIIRXRSSA-N 1 3 308.469 4.138 20 0 DIADHO Cc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379651976 1047089854 /nfs/dbraw/zinc/08/98/54/1047089854.db2.gz VOJPAGVKISWNKI-NQIIRXRSSA-N 1 3 308.469 4.138 20 0 DIADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)C1 ZINC001116288072 1047127390 /nfs/dbraw/zinc/12/73/90/1047127390.db2.gz BZSAMJHBICTFRA-DZGCQCFKSA-N 1 3 323.550 4.132 20 0 DIADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1cc(F)cc(F)c1 ZINC000423494293 1047150731 /nfs/dbraw/zinc/15/07/31/1047150731.db2.gz APVINRBACIXKCQ-FZKQIMNGSA-N 1 3 304.384 4.096 20 0 DIADHO CC[N@@H+]1CCC[C@@H](CN[C@H]2CCCc3c(Cl)cccc32)C1 ZINC001116565043 1047156443 /nfs/dbraw/zinc/15/64/43/1047156443.db2.gz FXPOJBISSBAVGV-KSSFIOAISA-N 1 3 306.881 4.039 20 0 DIADHO CC[N@H+]1CCC[C@@H](CN[C@H]2CCCc3c(Cl)cccc32)C1 ZINC001116565043 1047156447 /nfs/dbraw/zinc/15/64/47/1047156447.db2.gz FXPOJBISSBAVGV-KSSFIOAISA-N 1 3 306.881 4.039 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1sc(C(C)C)nc1C ZINC000650758136 1047279987 /nfs/dbraw/zinc/27/99/87/1047279987.db2.gz KBRLAAHAXQDIJO-ZDUSSCGKSA-N 1 3 317.502 4.145 20 0 DIADHO CC(C)C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000652204775 1047346743 /nfs/dbraw/zinc/34/67/43/1047346743.db2.gz BTENAESUJNSTES-IPQPSQTFSA-N 1 3 304.453 4.128 20 0 DIADHO CC(C)C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000652204775 1047346758 /nfs/dbraw/zinc/34/67/58/1047346758.db2.gz BTENAESUJNSTES-IPQPSQTFSA-N 1 3 304.453 4.128 20 0 DIADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255688562 1047418174 /nfs/dbraw/zinc/41/81/74/1047418174.db2.gz BMQIUPLSRWGHQN-WCQYABFASA-N 1 3 306.416 4.088 20 0 DIADHO C/C(=C\c1ccc(Cl)cc1)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000119392084 1047451757 /nfs/dbraw/zinc/45/17/57/1047451757.db2.gz UWPYXYVJKQZXMN-VBYQOHBCSA-N 1 3 318.892 4.348 20 0 DIADHO C/C(=C\c1ccc(Cl)cc1)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000119392084 1047451764 /nfs/dbraw/zinc/45/17/64/1047451764.db2.gz UWPYXYVJKQZXMN-VBYQOHBCSA-N 1 3 318.892 4.348 20 0 DIADHO CC(C)[N@H+](CCCN)C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168334306 1047480933 /nfs/dbraw/zinc/48/09/33/1047480933.db2.gz PRYMSIGWMACAQO-UHFFFAOYSA-N 1 3 308.897 4.425 20 0 DIADHO CC(C)[N@@H+](CCCN)C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168334306 1047480939 /nfs/dbraw/zinc/48/09/39/1047480939.db2.gz PRYMSIGWMACAQO-UHFFFAOYSA-N 1 3 308.897 4.425 20 0 DIADHO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000089513052 1047484415 /nfs/dbraw/zinc/48/44/15/1047484415.db2.gz VVFFMQHYRBBTAV-GOSISDBHSA-N 1 3 316.489 4.061 20 0 DIADHO CN1CCCC[C@@H]1CC[N@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000537632265 1047504943 /nfs/dbraw/zinc/50/49/43/1047504943.db2.gz FPOGJKPJARZVDR-OAQYLSRUSA-N 1 3 323.484 4.055 20 0 DIADHO CN1CCCC[C@@H]1CC[N@@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000537632265 1047504949 /nfs/dbraw/zinc/50/49/49/1047504949.db2.gz FPOGJKPJARZVDR-OAQYLSRUSA-N 1 3 323.484 4.055 20 0 DIADHO CC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc(F)cc1 ZINC000121313465 1047518357 /nfs/dbraw/zinc/51/83/57/1047518357.db2.gz MCKQDENSZQZKKZ-IBGZPJMESA-N 1 3 304.453 4.273 20 0 DIADHO C[C@@H](c1ccc(Cl)cc1Cl)N1CCC2(C1)CC[NH2+]CC2 ZINC000843363916 1047543064 /nfs/dbraw/zinc/54/30/64/1047543064.db2.gz UUQMTSYPVYSPSK-LBPRGKRZSA-N 1 3 313.272 4.130 20 0 DIADHO C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843363607 1047543083 /nfs/dbraw/zinc/54/30/83/1047543083.db2.gz BTXXLUQJVUWYFP-GFCCVEGCSA-N 1 3 313.272 4.130 20 0 DIADHO c1ccc(-c2cccc(C[NH2+]C3CCN(CC4CC4)CC3)c2)cc1 ZINC001168353398 1047565764 /nfs/dbraw/zinc/56/57/64/1047565764.db2.gz NSMFWKSDMFCOTA-UHFFFAOYSA-N 1 3 320.480 4.318 20 0 DIADHO CCCCN1CCC([NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000315361590 1047603993 /nfs/dbraw/zinc/60/39/93/1047603993.db2.gz BTGFIRQMGUGBPN-UHFFFAOYSA-N 1 3 302.506 4.338 20 0 DIADHO C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995522 1047611587 /nfs/dbraw/zinc/61/15/87/1047611587.db2.gz QDYWEPHYVZDSPN-FUHWJXTLSA-N 1 3 300.490 4.007 20 0 DIADHO c1ccc([C@@H]2CCCC[C@@H]([NH2+][C@@H]3CCNC4(CCC4)C3)C2)cc1 ZINC000666995759 1047612921 /nfs/dbraw/zinc/61/29/21/1047612921.db2.gz ZFEUHBOLILXYSF-VAMGGRTRSA-N 1 3 312.501 4.367 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@H]3CC[N@@H+](C)C[C@H]3C)c2)cc1 ZINC000537957793 1047646699 /nfs/dbraw/zinc/64/66/99/1047646699.db2.gz UZYDKHIAOSRFST-UTKZUKDTSA-N 1 3 308.469 4.092 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@H]3CC[N@H+](C)C[C@H]3C)c2)cc1 ZINC000537957793 1047646702 /nfs/dbraw/zinc/64/67/02/1047646702.db2.gz UZYDKHIAOSRFST-UTKZUKDTSA-N 1 3 308.469 4.092 20 0 DIADHO CCc1c2cc(C)ccc2oc1[C@@H](C)NCC1=CC[N@H+](C)CC1 ZINC000538408816 1047676251 /nfs/dbraw/zinc/67/62/51/1047676251.db2.gz SBXRMVZQDZRUBW-OAHLLOKOSA-N 1 3 312.457 4.216 20 0 DIADHO CCc1c2cc(C)ccc2oc1[C@@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000538408816 1047676255 /nfs/dbraw/zinc/67/62/55/1047676255.db2.gz SBXRMVZQDZRUBW-OAHLLOKOSA-N 1 3 312.457 4.216 20 0 DIADHO CC[N@@H+]1CC[C@H](N(C)Cc2csc3ccccc23)[C@H](C)C1 ZINC000538717312 1047699299 /nfs/dbraw/zinc/69/92/99/1047699299.db2.gz TVPQFGBJUGZOFE-PBHICJAKSA-N 1 3 302.487 4.063 20 0 DIADHO CC[N@H+]1CC[C@H](N(C)Cc2csc3ccccc23)[C@H](C)C1 ZINC000538717312 1047699302 /nfs/dbraw/zinc/69/93/02/1047699302.db2.gz TVPQFGBJUGZOFE-PBHICJAKSA-N 1 3 302.487 4.063 20 0 DIADHO Cc1cccc2c1CC[C@@H]2NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479462984 1047900797 /nfs/dbraw/zinc/90/07/97/1047900797.db2.gz HPHZSIIKOYWLJF-UGKGYDQZSA-N 1 3 320.480 4.094 20 0 DIADHO Cc1cccc2c1CC[C@@H]2NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479462984 1047900812 /nfs/dbraw/zinc/90/08/12/1047900812.db2.gz HPHZSIIKOYWLJF-UGKGYDQZSA-N 1 3 320.480 4.094 20 0 DIADHO C[C@]1([NH3+])CCCN(Cc2ccc(-c3ccccc3)s2)CC1 ZINC001205274312 1047941908 /nfs/dbraw/zinc/94/19/08/1047941908.db2.gz VFIGZRYJXOLDJW-SFHVURJKSA-N 1 3 300.471 4.118 20 0 DIADHO C[NH+](C)CC[C@H](N[C@H]1CCCCC12CCCC2)c1cccnc1 ZINC001183919395 1047982151 /nfs/dbraw/zinc/98/21/51/1047982151.db2.gz IYVDORCQMZIVRL-OALUTQOASA-N 1 3 315.505 4.167 20 0 DIADHO CCN(CC)CC[C@H]([NH2+]CCCC(F)(F)F)c1ccccc1 ZINC001184340243 1048031273 /nfs/dbraw/zinc/03/12/73/1048031273.db2.gz UVQHXUVSGGQXAJ-INIZCTEOSA-N 1 3 316.411 4.392 20 0 DIADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)Cc1ccccc1SC ZINC001184417808 1048036180 /nfs/dbraw/zinc/03/61/80/1048036180.db2.gz HPCXKFCMAZYFDL-HZPDHXFCSA-N 1 3 308.535 4.050 20 0 DIADHO CC[NH+]1CCC(N[C@@H](CCC(C)C)c2ccc(OC)cc2)CC1 ZINC000480050558 1048041240 /nfs/dbraw/zinc/04/12/40/1048041240.db2.gz WMUBWFBWIKTWCN-FQEVSTJZSA-N 1 3 318.505 4.246 20 0 DIADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(-c2ccncc2)cc1 ZINC000480166776 1048075366 /nfs/dbraw/zinc/07/53/66/1048075366.db2.gz RVQBQNDDEDVHGO-SFHVURJKSA-N 1 3 323.484 4.275 20 0 DIADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(F)cc1F ZINC000480611140 1048190954 /nfs/dbraw/zinc/19/09/54/1048190954.db2.gz KEPAVDHLWMVUGO-GJZGRUSLSA-N 1 3 310.432 4.128 20 0 DIADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(F)cc1F ZINC000480611140 1048190992 /nfs/dbraw/zinc/19/09/92/1048190992.db2.gz KEPAVDHLWMVUGO-GJZGRUSLSA-N 1 3 310.432 4.128 20 0 DIADHO COc1ccc([C@H](C)NCCCC[N@@H+]2CCCC[C@@H]2C)c(F)c1 ZINC000480607464 1048195087 /nfs/dbraw/zinc/19/50/87/1048195087.db2.gz GDWSGMYXYKBFLI-HOTGVXAUSA-N 1 3 322.468 4.140 20 0 DIADHO COc1ccc([C@H](C)NCCCC[N@H+]2CCCC[C@@H]2C)c(F)c1 ZINC000480607464 1048195096 /nfs/dbraw/zinc/19/50/96/1048195096.db2.gz GDWSGMYXYKBFLI-HOTGVXAUSA-N 1 3 322.468 4.140 20 0 DIADHO Cc1c2[nH]cnc2ccc1N(CC[NH3+])c1cccc2ccccc21 ZINC001162005486 1048211209 /nfs/dbraw/zinc/21/12/09/1048211209.db2.gz OWHOBYXZNJOSDL-UHFFFAOYSA-N 1 3 316.408 4.121 20 0 DIADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccsc1Cl ZINC000480663420 1048214167 /nfs/dbraw/zinc/21/41/67/1048214167.db2.gz NQDFYIQOQSJJLU-CYBMUJFWSA-N 1 3 300.899 4.146 20 0 DIADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccsc1Cl ZINC000480663420 1048214182 /nfs/dbraw/zinc/21/41/82/1048214182.db2.gz NQDFYIQOQSJJLU-CYBMUJFWSA-N 1 3 300.899 4.146 20 0 DIADHO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000480693318 1048217336 /nfs/dbraw/zinc/21/73/36/1048217336.db2.gz BIWBNICZGSMLHA-QLFBSQMISA-N 1 3 320.443 4.350 20 0 DIADHO CCC[C@H](C)C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001201553024 1048306779 /nfs/dbraw/zinc/30/67/79/1048306779.db2.gz YLVMLRRHVCDOPE-SFHVURJKSA-N 1 3 300.490 4.021 20 0 DIADHO CCCCCCN1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001201755889 1048366835 /nfs/dbraw/zinc/36/68/35/1048366835.db2.gz BCZQVRCYKRDXKZ-UHFFFAOYSA-N 1 3 306.469 4.302 20 0 DIADHO CCCCCCN1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001201755889 1048366850 /nfs/dbraw/zinc/36/68/50/1048366850.db2.gz BCZQVRCYKRDXKZ-UHFFFAOYSA-N 1 3 306.469 4.302 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2)C1 ZINC000481324278 1048367501 /nfs/dbraw/zinc/36/75/01/1048367501.db2.gz YATOKPFQGBZMBE-RBBKRZOGSA-N 1 3 322.496 4.292 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OCCC(C)C)cc2)C1 ZINC000481337692 1048371194 /nfs/dbraw/zinc/37/11/94/1048371194.db2.gz NLRPILRSEOIJRW-QZTJIDSGSA-N 1 3 318.505 4.104 20 0 DIADHO Cc1cc2[nH]c(C[N@@H+](C)C3CCN(C(C)C)CC3)cc2c(C)c1 ZINC000481917942 1048528247 /nfs/dbraw/zinc/52/82/47/1048528247.db2.gz PNQDYXPMJAFNMT-UHFFFAOYSA-N 1 3 313.489 4.089 20 0 DIADHO Cc1cc2[nH]c(C[N@H+](C)C3CCN(C(C)C)CC3)cc2c(C)c1 ZINC000481917942 1048528261 /nfs/dbraw/zinc/52/82/61/1048528261.db2.gz PNQDYXPMJAFNMT-UHFFFAOYSA-N 1 3 313.489 4.089 20 0 DIADHO C[N@H+](CCCC(F)(F)F)C1CCN(C2CCCCC2)CC1 ZINC001202445308 1048554900 /nfs/dbraw/zinc/55/49/00/1048554900.db2.gz WFANKRIEQAMGPI-UHFFFAOYSA-N 1 3 306.416 4.058 20 0 DIADHO C[N@@H+](CCCC(F)(F)F)C1CCN(C2CCCCC2)CC1 ZINC001202445308 1048554909 /nfs/dbraw/zinc/55/49/09/1048554909.db2.gz WFANKRIEQAMGPI-UHFFFAOYSA-N 1 3 306.416 4.058 20 0 DIADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000482438079 1048609042 /nfs/dbraw/zinc/60/90/42/1048609042.db2.gz LESARQUQTXOFHI-TZIWHRDSSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1ccccc1[C@@H](C)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000482438079 1048609051 /nfs/dbraw/zinc/60/90/51/1048609051.db2.gz LESARQUQTXOFHI-TZIWHRDSSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1ccccc1[C@@H](C)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482438079 1048609060 /nfs/dbraw/zinc/60/90/60/1048609060.db2.gz LESARQUQTXOFHI-TZIWHRDSSA-N 1 3 322.496 4.210 20 0 DIADHO C[NH+](C)CCOc1ccc(Nc2ccnc(C3CCC3)c2)cc1 ZINC001176229966 1048610287 /nfs/dbraw/zinc/61/02/87/1048610287.db2.gz XCHCYLNJRXMBPA-UHFFFAOYSA-N 1 3 311.429 4.033 20 0 DIADHO CCCCCC[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000850517236 1048674813 /nfs/dbraw/zinc/67/48/13/1048674813.db2.gz WLJASWCVRXILOI-SFHVURJKSA-N 1 3 317.521 4.242 20 0 DIADHO CCC[C@@H](C)[NH+]1CCC(c2ccccc2)(N2CCCC2)CC1 ZINC001176567058 1048727204 /nfs/dbraw/zinc/72/72/04/1048727204.db2.gz GMXIWWIQEGEKEQ-GOSISDBHSA-N 1 3 300.490 4.262 20 0 DIADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC(C)(C)C)ccc1OC ZINC000775382844 1048732247 /nfs/dbraw/zinc/73/22/47/1048732247.db2.gz ILQKMONOBUVUTM-HNNXBMFYSA-N 1 3 306.494 4.234 20 0 DIADHO COc1ccc([C@@H](C)[NH2+]CC2CCC2)cc1CN1CCCCC1 ZINC000775384411 1048734489 /nfs/dbraw/zinc/73/44/89/1048734489.db2.gz SLVPTXMIWXYGAQ-MRXNPFEDSA-N 1 3 316.489 4.132 20 0 DIADHO CN1CCC[C@@H]1CC[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC001190510800 1048746453 /nfs/dbraw/zinc/74/64/53/1048746453.db2.gz QAWTVSXOCDYEER-HXUWFJFHSA-N 1 3 308.469 4.289 20 0 DIADHO CN1CCC[C@@H]1CC[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC001190510800 1048746463 /nfs/dbraw/zinc/74/64/63/1048746463.db2.gz QAWTVSXOCDYEER-HXUWFJFHSA-N 1 3 308.469 4.289 20 0 DIADHO CC[C@@H](CC(F)F)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001190650761 1048773842 /nfs/dbraw/zinc/77/38/42/1048773842.db2.gz GDILJWNMMKHYHF-IRXDYDNUSA-N 1 3 316.480 4.112 20 0 DIADHO CN1CCC[C@H]2C[N@H+](CCCc3cccc4ccccc43)CC[C@H]21 ZINC000483494399 1048808070 /nfs/dbraw/zinc/80/80/70/1048808070.db2.gz USAFJNDUOPKTFG-RBBKRZOGSA-N 1 3 322.496 4.189 20 0 DIADHO CN1CCC[C@H]2C[N@@H+](CCCc3cccc4ccccc43)CC[C@H]21 ZINC000483494399 1048808082 /nfs/dbraw/zinc/80/80/82/1048808082.db2.gz USAFJNDUOPKTFG-RBBKRZOGSA-N 1 3 322.496 4.189 20 0 DIADHO Cc1cccc([C@H](NC2CC[NH+](CC3CC3)CC2)C(C)C)c1 ZINC001168368153 1048832807 /nfs/dbraw/zinc/83/28/07/1048832807.db2.gz BDZDBEXNQPKVRA-HXUWFJFHSA-N 1 3 300.490 4.156 20 0 DIADHO C[N@H+](CCCNCc1ccc2occc2c1)Cc1ccccc1 ZINC001177136598 1048837624 /nfs/dbraw/zinc/83/76/24/1048837624.db2.gz SDHOKFAYPXYUPL-UHFFFAOYSA-N 1 3 308.425 4.045 20 0 DIADHO C[N@@H+](CCCNCc1ccc2occc2c1)Cc1ccccc1 ZINC001177136598 1048837635 /nfs/dbraw/zinc/83/76/35/1048837635.db2.gz SDHOKFAYPXYUPL-UHFFFAOYSA-N 1 3 308.425 4.045 20 0 DIADHO Cc1ccccc1C[NH+]1CCC(NCc2c(C)cccc2C)CC1 ZINC001177314926 1048870198 /nfs/dbraw/zinc/87/01/98/1048870198.db2.gz BFQSMYAOGZDMTH-UHFFFAOYSA-N 1 3 322.496 4.366 20 0 DIADHO CCS[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000484308558 1048925326 /nfs/dbraw/zinc/92/53/26/1048925326.db2.gz MMKNKPXXGCJPHF-RBUKOAKNSA-N 1 3 324.578 4.437 20 0 DIADHO Cc1cc([C@@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C2CC2)ccc1F ZINC001178218716 1049005543 /nfs/dbraw/zinc/00/55/43/1049005543.db2.gz XLLZCQBYNMYGNU-AEFFLSMTSA-N 1 3 304.453 4.048 20 0 DIADHO Cc1cc([C@@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)ccc1F ZINC001178218716 1049005559 /nfs/dbraw/zinc/00/55/59/1049005559.db2.gz XLLZCQBYNMYGNU-AEFFLSMTSA-N 1 3 304.453 4.048 20 0 DIADHO Cc1ccc(Cl)c(CN2CCC[C@@](C)(C[NH3+])CC2)c1Cl ZINC001206324429 1049009113 /nfs/dbraw/zinc/00/91/13/1049009113.db2.gz BFLAUOMPLLEVNL-MRXNPFEDSA-N 1 3 315.288 4.253 20 0 DIADHO CC[C@@H]1CCC[C@H](N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC001179637149 1049191158 /nfs/dbraw/zinc/19/11/58/1049191158.db2.gz UFLDWONOQPLKHF-NZSAHSFTSA-N 1 3 303.494 4.023 20 0 DIADHO CCCC1CCC(CN[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC001179636996 1049191195 /nfs/dbraw/zinc/19/11/95/1049191195.db2.gz PTFFVCOGVWHURD-AFMYVXGZSA-N 1 3 317.521 4.271 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@@H]3CC[C@@H]4C[N@@H+](C)C[C@@H]34)c2)cc1 ZINC001179815319 1049211472 /nfs/dbraw/zinc/21/14/72/1049211472.db2.gz FXQWNFBTOPEUNU-YPAWHYETSA-N 1 3 320.480 4.092 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@@H]3CC[C@@H]4C[N@H+](C)C[C@@H]34)c2)cc1 ZINC001179815319 1049211487 /nfs/dbraw/zinc/21/14/87/1049211487.db2.gz FXQWNFBTOPEUNU-YPAWHYETSA-N 1 3 320.480 4.092 20 0 DIADHO Cc1ccc(-c2cccc(C[NH2+][C@@H]3CC[C@@H]4CN(C)C[C@@H]34)c2)cc1 ZINC001179815319 1049211500 /nfs/dbraw/zinc/21/15/00/1049211500.db2.gz FXQWNFBTOPEUNU-YPAWHYETSA-N 1 3 320.480 4.092 20 0 DIADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc2ncsc2c1 ZINC000485701162 1049324157 /nfs/dbraw/zinc/32/41/57/1049324157.db2.gz ZUDGFDXIKFGCKL-ZDUSSCGKSA-N 1 3 317.502 4.210 20 0 DIADHO [NH3+][C@H]1CCCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC001205117915 1049384199 /nfs/dbraw/zinc/38/41/99/1049384199.db2.gz YVTQALXSBRJYEV-IBGZPJMESA-N 1 3 314.860 4.320 20 0 DIADHO CCCCCCOc1ccc(CN2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205266789 1049421097 /nfs/dbraw/zinc/42/10/97/1049421097.db2.gz XWTMGGVYQLBSIK-FQEVSTJZSA-N 1 3 318.505 4.349 20 0 DIADHO COc1ccc(-c2ccccc2)c(CN2CCC[C@](C)([NH3+])CC2)c1 ZINC001205288752 1049429692 /nfs/dbraw/zinc/42/96/92/1049429692.db2.gz ODNITYAFPPWIPR-NRFANRHFSA-N 1 3 324.468 4.066 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC001205297582 1049431651 /nfs/dbraw/zinc/43/16/51/1049431651.db2.gz BNVAKYMQXJFLTI-ZWKOTPCHSA-N 1 3 311.473 4.007 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc2[nH]ccc21 ZINC001205297582 1049431656 /nfs/dbraw/zinc/43/16/56/1049431656.db2.gz BNVAKYMQXJFLTI-ZWKOTPCHSA-N 1 3 311.473 4.007 20 0 DIADHO C[C@@H]1CCN(Cc2ccc3oc4ccccc4c3c2)C[C@H]1C[NH3+] ZINC001205303650 1049432963 /nfs/dbraw/zinc/43/29/63/1049432963.db2.gz JBTBZNXMEMRIGA-GDBMZVCRSA-N 1 3 308.425 4.003 20 0 DIADHO C[C@@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)CCC1(F)F ZINC001194832986 1049437692 /nfs/dbraw/zinc/43/76/92/1049437692.db2.gz FLMMTAGBLSQMJI-MRXNPFEDSA-N 1 3 322.443 4.150 20 0 DIADHO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC001205385391 1049455579 /nfs/dbraw/zinc/45/55/79/1049455579.db2.gz DTZUMTHPBXQNNX-MANSERQUSA-N 1 3 306.538 4.445 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC001205385833 1049455902 /nfs/dbraw/zinc/45/59/02/1049455902.db2.gz RRTLIPQRFTWZPZ-JCHJZTRSSA-N 1 3 304.522 4.198 20 0 DIADHO CC(C)(C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1)CN1CCCC1 ZINC001181428619 1049473701 /nfs/dbraw/zinc/47/37/01/1049473701.db2.gz ZQDMXMCNAOKZDE-PMACEKPBSA-N 1 3 314.517 4.109 20 0 DIADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1sccc1Cl ZINC000486936633 1049496670 /nfs/dbraw/zinc/49/66/70/1049496670.db2.gz GCGSQQJLZINIMR-CYBMUJFWSA-N 1 3 300.899 4.146 20 0 DIADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1sccc1Cl ZINC000486936633 1049496672 /nfs/dbraw/zinc/49/66/72/1049496672.db2.gz GCGSQQJLZINIMR-CYBMUJFWSA-N 1 3 300.899 4.146 20 0 DIADHO Cc1cc(C)c(/C=C\C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1C ZINC001181707041 1049505458 /nfs/dbraw/zinc/50/54/58/1049505458.db2.gz IHAVTSBJHVCRDJ-NOPDSDTESA-N 1 3 312.501 4.182 20 0 DIADHO Cc1cc(C)c(/C=C\C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1C ZINC001181707041 1049505470 /nfs/dbraw/zinc/50/54/70/1049505470.db2.gz IHAVTSBJHVCRDJ-NOPDSDTESA-N 1 3 312.501 4.182 20 0 DIADHO CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CCC[C@H](CN)[C@@H]2C)cc1 ZINC001205902242 1049598171 /nfs/dbraw/zinc/59/81/71/1049598171.db2.gz JDQGJARCZHTMEK-FUHIMQAGSA-N 1 3 302.506 4.048 20 0 DIADHO CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCC[C@H](CN)[C@@H]2C)cc1 ZINC001205902242 1049598183 /nfs/dbraw/zinc/59/81/83/1049598183.db2.gz JDQGJARCZHTMEK-FUHIMQAGSA-N 1 3 302.506 4.048 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC001205980947 1049616410 /nfs/dbraw/zinc/61/64/10/1049616410.db2.gz UBMKFKRQOPOPPL-AZUAARDMSA-N 1 3 314.517 4.423 20 0 DIADHO Cc1cc(Cl)c(CN2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Cl)c1 ZINC001206024606 1049632737 /nfs/dbraw/zinc/63/27/37/1049632737.db2.gz KSKGNSPZWLPUOE-QWHCGFSZSA-N 1 3 315.288 4.109 20 0 DIADHO CC[NH+](CC)CC1CCN([C@H](C)c2cccc(Cl)c2)CC1 ZINC000488406779 1049646028 /nfs/dbraw/zinc/64/60/28/1049646028.db2.gz NOCBERACUUOMGI-OAHLLOKOSA-N 1 3 308.897 4.455 20 0 DIADHO Cc1ccc2c(c1)[C@H](NC[C@@H]1CCC[N@@H+](C(C)C)C1)CCC2 ZINC000339070332 1049673516 /nfs/dbraw/zinc/67/35/16/1049673516.db2.gz MNGQSUGDHADKPL-FXAWDEMLSA-N 1 3 300.490 4.082 20 0 DIADHO Cc1ccc2c(c1)[C@H](NC[C@@H]1CCC[N@H+](C(C)C)C1)CCC2 ZINC000339070332 1049673517 /nfs/dbraw/zinc/67/35/17/1049673517.db2.gz MNGQSUGDHADKPL-FXAWDEMLSA-N 1 3 300.490 4.082 20 0 DIADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)CCC2 ZINC000339070332 1049673520 /nfs/dbraw/zinc/67/35/20/1049673520.db2.gz MNGQSUGDHADKPL-FXAWDEMLSA-N 1 3 300.490 4.082 20 0 DIADHO C[C@H]1CNCCC[N@@H+]1Cc1ccccc1-c1ccc(Cl)cc1 ZINC001206262763 1049692859 /nfs/dbraw/zinc/69/28/59/1049692859.db2.gz FXUAYISRKHBALG-HNNXBMFYSA-N 1 3 314.860 4.191 20 0 DIADHO C[C@H]1CNCCC[N@H+]1Cc1ccccc1-c1ccc(Cl)cc1 ZINC001206262763 1049692874 /nfs/dbraw/zinc/69/28/74/1049692874.db2.gz FXUAYISRKHBALG-HNNXBMFYSA-N 1 3 314.860 4.191 20 0 DIADHO C[C@]1(C[NH3+])CCCCN(Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001206540160 1049753462 /nfs/dbraw/zinc/75/34/62/1049753462.db2.gz AQKYWYHZRSJEEF-OAQYLSRUSA-N 1 3 324.468 4.430 20 0 DIADHO CC(C)c1ccc(CCN[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001206715792 1049783477 /nfs/dbraw/zinc/78/34/77/1049783477.db2.gz XYHNALIHBSGSOO-FQEVSTJZSA-N 1 3 314.517 4.349 20 0 DIADHO CC(C)c1ccc(CCN[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC001206715792 1049783483 /nfs/dbraw/zinc/78/34/83/1049783483.db2.gz XYHNALIHBSGSOO-FQEVSTJZSA-N 1 3 314.517 4.349 20 0 DIADHO C[C@H]1CC[C@H](C[NH3+])CN1Cc1ccc(C2CCCCC2)cc1 ZINC001206807221 1049803317 /nfs/dbraw/zinc/80/33/17/1049803317.db2.gz HTSIFBYPYNWKEK-FUHWJXTLSA-N 1 3 300.490 4.294 20 0 DIADHO CCCN1CC[C@@H](C[NH2+][C@H](CSc2ccccc2)C(C)C)C1 ZINC000490171211 1049807412 /nfs/dbraw/zinc/80/74/12/1049807412.db2.gz AQBSDVDPTLWIGL-PKOBYXMFSA-N 1 3 320.546 4.125 20 0 DIADHO C[C@H]1CN(Cc2ccc(C3CCC3)cc2)CCN1c1cc[nH+]cc1 ZINC001207335431 1049880472 /nfs/dbraw/zinc/88/04/72/1049880472.db2.gz YZZDUMYYOXWONZ-KRWDZBQOSA-N 1 3 321.468 4.060 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCCCc1ccccc1 ZINC001207616667 1049918132 /nfs/dbraw/zinc/91/81/32/1049918132.db2.gz HKNVKYKWNQLQJQ-SFTDATJTSA-N 1 3 314.517 4.348 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCCCc1ccccc1 ZINC001207616667 1049918142 /nfs/dbraw/zinc/91/81/42/1049918142.db2.gz HKNVKYKWNQLQJQ-SFTDATJTSA-N 1 3 314.517 4.348 20 0 DIADHO CN(Cc1cccc2ccccc21)C1CC[NH+](CC2CC2)CC1 ZINC001168380383 1049944820 /nfs/dbraw/zinc/94/48/20/1049944820.db2.gz RRQXPAWRFHAISG-UHFFFAOYSA-N 1 3 308.469 4.146 20 0 DIADHO CCCCN1CCC([NH2+][C@@H](C)c2cccc(OCC)c2)CC1 ZINC000164473672 1049947570 /nfs/dbraw/zinc/94/75/70/1049947570.db2.gz WRTDGVHYCLYBKE-INIZCTEOSA-N 1 3 304.478 4.000 20 0 DIADHO CC(C)=CCCC1=CC[C@@H](C[NH+]2CCC3(CN(C)C3)CC2)CC1 ZINC001207936683 1049959919 /nfs/dbraw/zinc/95/99/19/1049959919.db2.gz CCYRYOWJCSQZLB-HXUWFJFHSA-N 1 3 316.533 4.487 20 0 DIADHO CC/C=C\CCCN1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001208138371 1049976785 /nfs/dbraw/zinc/97/67/85/1049976785.db2.gz PAITXYRRXUTBIB-ARJAWSKDSA-N 1 3 312.501 4.256 20 0 DIADHO CC/C=C\CCCN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001208138371 1049976790 /nfs/dbraw/zinc/97/67/90/1049976790.db2.gz PAITXYRRXUTBIB-ARJAWSKDSA-N 1 3 312.501 4.256 20 0 DIADHO CC/C=C\CCC[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001208135297 1049976924 /nfs/dbraw/zinc/97/69/24/1049976924.db2.gz ALAVBFZOGLBHBY-ARJAWSKDSA-N 1 3 312.501 4.331 20 0 DIADHO Cc1ccc([C@H](C)CC[N@@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)o1 ZINC001208170447 1049981450 /nfs/dbraw/zinc/98/14/50/1049981450.db2.gz XDSOCSHGOSKXRR-NEWSRXKRSA-N 1 3 318.505 4.420 20 0 DIADHO Cc1ccc([C@H](C)CC[N@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)o1 ZINC001208170447 1049981456 /nfs/dbraw/zinc/98/14/56/1049981456.db2.gz XDSOCSHGOSKXRR-NEWSRXKRSA-N 1 3 318.505 4.420 20 0 DIADHO COC(C)(C)CCC[C@H](C)CC[NH+]1CCC(N(C)C2CC2)CC1 ZINC001208219593 1049987867 /nfs/dbraw/zinc/98/78/67/1049987867.db2.gz PWTUQHSQKUOTMQ-KRWDZBQOSA-N 1 3 324.553 4.167 20 0 DIADHO CC(C)(CC[NH+]1CCC(N2CCCCC2)CC1)c1ccccc1 ZINC001208662191 1049999692 /nfs/dbraw/zinc/99/96/92/1049999692.db2.gz AXLSMTQQVFUSKA-UHFFFAOYSA-N 1 3 314.517 4.305 20 0 DIADHO c1ccc(CN2CC[C@H](C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)C2)cc1 ZINC001208947800 1050026404 /nfs/dbraw/zinc/02/64/04/1050026404.db2.gz DAEIYJURFZIXDV-HBMCJLEFSA-N 1 3 312.501 4.163 20 0 DIADHO c1ccc(CN2CC[C@H](C[N@H+]3CCC[C@H]4CCCC[C@@H]43)C2)cc1 ZINC001208947800 1050026409 /nfs/dbraw/zinc/02/64/09/1050026409.db2.gz DAEIYJURFZIXDV-HBMCJLEFSA-N 1 3 312.501 4.163 20 0 DIADHO C[C@@H]1CN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208945236 1050027680 /nfs/dbraw/zinc/02/76/80/1050027680.db2.gz BOEMXHYJNKKXSU-QUCCMNQESA-N 1 3 320.480 4.128 20 0 DIADHO C[C@@H]1CN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208945236 1050027686 /nfs/dbraw/zinc/02/76/86/1050027686.db2.gz BOEMXHYJNKKXSU-QUCCMNQESA-N 1 3 320.480 4.128 20 0 DIADHO c1ccc(CN2CCC[C@H](C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)C2)cc1 ZINC001208939918 1050028305 /nfs/dbraw/zinc/02/83/05/1050028305.db2.gz LHPPAQALTNZKKE-ACRUOGEOSA-N 1 3 312.501 4.163 20 0 DIADHO c1ccc(CN2CCC[C@H](C[N@H+]3CCC[C@@H]4CCC[C@@H]43)C2)cc1 ZINC001208939918 1050028308 /nfs/dbraw/zinc/02/83/08/1050028308.db2.gz LHPPAQALTNZKKE-ACRUOGEOSA-N 1 3 312.501 4.163 20 0 DIADHO c1ccc(C[N@H+]2CCC[C@@H](CN3CC4CCC(CC4)C3)C2)cc1 ZINC001208943588 1050028486 /nfs/dbraw/zinc/02/84/86/1050028486.db2.gz LZAJFIQHVZRBPZ-XVAXZDLZSA-N 1 3 312.501 4.021 20 0 DIADHO c1ccc(C[N@@H+]2CCC[C@@H](CN3CC4CCC(CC4)C3)C2)cc1 ZINC001208943588 1050028491 /nfs/dbraw/zinc/02/84/91/1050028491.db2.gz LZAJFIQHVZRBPZ-XVAXZDLZSA-N 1 3 312.501 4.021 20 0 DIADHO c1ccc(CN2CCC[C@@H](C[NH+]3CC4CCC(CC4)C3)C2)cc1 ZINC001208943588 1050028498 /nfs/dbraw/zinc/02/84/98/1050028498.db2.gz LZAJFIQHVZRBPZ-XVAXZDLZSA-N 1 3 312.501 4.021 20 0 DIADHO CC(C)[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(Cl)cc1F ZINC000573001878 1050115970 /nfs/dbraw/zinc/11/59/70/1050115970.db2.gz JVNVGFPBAGLHRE-GOSISDBHSA-N 1 3 320.839 4.425 20 0 DIADHO CCCc1ccc(CNCc2cccc(C[N@H+](C)CC)c2)cc1 ZINC000591709906 1050200399 /nfs/dbraw/zinc/20/03/99/1050200399.db2.gz ZTQZLQLBEHSGTC-UHFFFAOYSA-N 1 3 310.485 4.381 20 0 DIADHO CCCc1ccc(CNCc2cccc(C[N@@H+](C)CC)c2)cc1 ZINC000591709906 1050200417 /nfs/dbraw/zinc/20/04/17/1050200417.db2.gz ZTQZLQLBEHSGTC-UHFFFAOYSA-N 1 3 310.485 4.381 20 0 DIADHO CCC1([NH2+][C@@H](C)Cc2ccc(Cl)cc2Cl)CCNCC1 ZINC001246424755 1050279385 /nfs/dbraw/zinc/27/93/85/1050279385.db2.gz TUILPNOICOXSTA-LBPRGKRZSA-N 1 3 315.288 4.046 20 0 DIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H](c2cccnc2)C2CCCCC2)C1 ZINC000846151405 1050675166 /nfs/dbraw/zinc/67/51/66/1050675166.db2.gz XVMOXJSOIQNKMI-AQNXPRMDSA-N 1 3 315.505 4.165 20 0 DIADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H]1COCc2cccc(Cl)c21 ZINC000788496713 1050692843 /nfs/dbraw/zinc/69/28/43/1050692843.db2.gz AOKOBUYHGNUEBH-RHSMWYFYSA-N 1 3 324.896 4.011 20 0 DIADHO CCC(CC)(C[NH2+]C1CCN(C2CCCCC2)CC1)SC ZINC000766278942 1050756439 /nfs/dbraw/zinc/75/64/39/1050756439.db2.gz XMVYQOOBTQNKKL-UHFFFAOYSA-N 1 3 312.567 4.295 20 0 DIADHO CC(C)[N@@H+]1CC[C@H](CNCc2ccccc2-c2ccccc2)C1 ZINC000742733874 1050928682 /nfs/dbraw/zinc/92/86/82/1050928682.db2.gz HSDYBLABUNVZOO-GOSISDBHSA-N 1 3 308.469 4.174 20 0 DIADHO CC(C)[N@H+]1CC[C@H](CNCc2ccccc2-c2ccccc2)C1 ZINC000742733874 1050928699 /nfs/dbraw/zinc/92/86/99/1050928699.db2.gz HSDYBLABUNVZOO-GOSISDBHSA-N 1 3 308.469 4.174 20 0 DIADHO Cc1c(C)c(C)c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1C ZINC001170204267 1051155573 /nfs/dbraw/zinc/15/55/73/1051155573.db2.gz BBGBRTKNGWYNSX-YOFSQIOKSA-N 1 3 314.517 4.286 20 0 DIADHO Cc1c(C)c(C)c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1C ZINC001170204267 1051155578 /nfs/dbraw/zinc/15/55/78/1051155578.db2.gz BBGBRTKNGWYNSX-YOFSQIOKSA-N 1 3 314.517 4.286 20 0 DIADHO C[C@H](Cc1ccccc1Cl)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001170255954 1051175757 /nfs/dbraw/zinc/17/57/57/1051175757.db2.gz GGOVZBZYBQOOIO-OAHLLOKOSA-N 1 3 320.908 4.268 20 0 DIADHO CN1C(C)(C)CC([NH2+]CC2CCC(F)(F)CC2)CC1(C)C ZINC001171618722 1051176719 /nfs/dbraw/zinc/17/67/19/1051176719.db2.gz AUHZTIUPFQSWLK-UHFFFAOYSA-N 1 3 302.453 4.053 20 0 DIADHO CN1C(C)(C)CC([NH2+]CCc2cccc(Cl)c2)CC1(C)C ZINC001171620195 1051178988 /nfs/dbraw/zinc/17/89/88/1051178988.db2.gz YKRLWCUKMSOIFB-UHFFFAOYSA-N 1 3 308.897 4.124 20 0 DIADHO CN1C(C)(C)CC([NH2+]CCc2ccc(Cl)cc2)CC1(C)C ZINC001171619571 1051179615 /nfs/dbraw/zinc/17/96/15/1051179615.db2.gz PNTIWMYUKSXKOE-UHFFFAOYSA-N 1 3 308.897 4.124 20 0 DIADHO Cc1ccccc1OC[C@H](C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171623462 1051179723 /nfs/dbraw/zinc/17/97/23/1051179723.db2.gz ZYINHWRULQFKIS-INIZCTEOSA-N 1 3 318.505 4.003 20 0 DIADHO Cc1ccc(CC[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)c(C)c1 ZINC001171620229 1051180503 /nfs/dbraw/zinc/18/05/03/1051180503.db2.gz ZZPZEHZFHRBXQM-UHFFFAOYSA-N 1 3 302.506 4.087 20 0 DIADHO Cc1ccccc1OC[C@@H](C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171623463 1051180601 /nfs/dbraw/zinc/18/06/01/1051180601.db2.gz ZYINHWRULQFKIS-MRXNPFEDSA-N 1 3 318.505 4.003 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@H]2CCCc3c(F)cccc32)CC1(C)C ZINC001171627371 1051181632 /nfs/dbraw/zinc/18/16/32/1051181632.db2.gz REYCCVCTNKXYRM-SFHVURJKSA-N 1 3 318.480 4.444 20 0 DIADHO CCC[C@@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)c1ccncc1 ZINC001171626288 1051181755 /nfs/dbraw/zinc/18/17/55/1051181755.db2.gz WRCLACJPZFIMFW-QGZVFWFLSA-N 1 3 303.494 4.164 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@H]2CC23CCC(F)(F)CC3)CC1(C)C ZINC001171626929 1051181954 /nfs/dbraw/zinc/18/19/54/1051181954.db2.gz HQHDDIOZEVXDGU-AWEZNQCLSA-N 1 3 314.464 4.195 20 0 DIADHO CN1C(C)(C)CC([NH2+]C2(C)CCC(F)(F)CC2)CC1(C)C ZINC001171627037 1051181964 /nfs/dbraw/zinc/18/19/64/1051181964.db2.gz JMJVKBGVGGILGN-UHFFFAOYSA-N 1 3 302.453 4.195 20 0 DIADHO Cc1cccc(CCN(C)C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171639376 1051195435 /nfs/dbraw/zinc/19/54/35/1051195435.db2.gz IBCWJVKOSMGICK-UHFFFAOYSA-N 1 3 302.506 4.121 20 0 DIADHO Cc1cccc(CC[N@@H+](C)C2CC(C)(C)N(C)C(C)(C)C2)c1 ZINC001171639376 1051195447 /nfs/dbraw/zinc/19/54/47/1051195447.db2.gz IBCWJVKOSMGICK-UHFFFAOYSA-N 1 3 302.506 4.121 20 0 DIADHO Cc1cccc(CC[N@H+](C)C2CC(C)(C)N(C)C(C)(C)C2)c1 ZINC001171639376 1051195457 /nfs/dbraw/zinc/19/54/57/1051195457.db2.gz IBCWJVKOSMGICK-UHFFFAOYSA-N 1 3 302.506 4.121 20 0 DIADHO Cc1ccc(CCN(C)C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001171639341 1051195573 /nfs/dbraw/zinc/19/55/73/1051195573.db2.gz GODFHRZCRSGBNK-UHFFFAOYSA-N 1 3 302.506 4.121 20 0 DIADHO Cc1ccc(CC[N@@H+](C)C2CC(C)(C)N(C)C(C)(C)C2)cc1 ZINC001171639341 1051195579 /nfs/dbraw/zinc/19/55/79/1051195579.db2.gz GODFHRZCRSGBNK-UHFFFAOYSA-N 1 3 302.506 4.121 20 0 DIADHO Cc1ccc(CC[N@H+](C)C2CC(C)(C)N(C)C(C)(C)C2)cc1 ZINC001171639341 1051195585 /nfs/dbraw/zinc/19/55/85/1051195585.db2.gz GODFHRZCRSGBNK-UHFFFAOYSA-N 1 3 302.506 4.121 20 0 DIADHO Cc1ccc2c(c1)CCN(C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171642198 1051197244 /nfs/dbraw/zinc/19/72/44/1051197244.db2.gz ZDYDDVDJNADGNU-UHFFFAOYSA-N 1 3 300.490 4.005 20 0 DIADHO Cc1ccc2c(c1)CC[N@@H+](C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171642198 1051197251 /nfs/dbraw/zinc/19/72/51/1051197251.db2.gz ZDYDDVDJNADGNU-UHFFFAOYSA-N 1 3 300.490 4.005 20 0 DIADHO Cc1ccc2c(c1)CC[N@H+](C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171642198 1051197263 /nfs/dbraw/zinc/19/72/63/1051197263.db2.gz ZDYDDVDJNADGNU-UHFFFAOYSA-N 1 3 300.490 4.005 20 0 DIADHO Cc1occc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172063667 1051283753 /nfs/dbraw/zinc/28/37/53/1051283753.db2.gz CJFIRPZGGDDJGC-WKCHPHFGSA-N 1 3 324.468 4.263 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(C)(C)c1ccc(Cl)cc1)C2 ZINC001172104129 1051295616 /nfs/dbraw/zinc/29/56/16/1051295616.db2.gz DBSJSKMKRSBXDI-BJWYYQGGSA-N 1 3 306.881 4.180 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(C)(C)c1ccc(Cl)cc1)C2 ZINC001172104129 1051295625 /nfs/dbraw/zinc/29/56/25/1051295625.db2.gz DBSJSKMKRSBXDI-BJWYYQGGSA-N 1 3 306.881 4.180 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccc(C(C)(C)C)cc1)C2 ZINC001172103770 1051297200 /nfs/dbraw/zinc/29/72/00/1051297200.db2.gz XPQVHHVEBBXFJU-LDLYASANSA-N 1 3 300.490 4.089 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccc(C(C)(C)C)cc1)C2 ZINC001172103770 1051297206 /nfs/dbraw/zinc/29/72/06/1051297206.db2.gz XPQVHHVEBBXFJU-LDLYASANSA-N 1 3 300.490 4.089 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccc3sccc3c1)C2 ZINC001172104542 1051297319 /nfs/dbraw/zinc/29/73/19/1051297319.db2.gz CNBDYZNCSGIGGD-OSYLJGHBSA-N 1 3 300.471 4.006 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccc3sccc3c1)C2 ZINC001172104542 1051297326 /nfs/dbraw/zinc/29/73/26/1051297326.db2.gz CNBDYZNCSGIGGD-OSYLJGHBSA-N 1 3 300.471 4.006 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3Cl)CCC1)C2 ZINC001172113486 1051302349 /nfs/dbraw/zinc/30/23/49/1051302349.db2.gz HSSMCEITQRNESG-MUJYYYPQSA-N 1 3 318.892 4.324 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1(c3cccc4ccccc43)CC1)C2 ZINC001172116041 1051305389 /nfs/dbraw/zinc/30/53/89/1051305389.db2.gz XJUPLVTVUHABJJ-LDLYASANSA-N 1 3 320.480 4.434 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1(c3cccc4ccccc43)CC1)C2 ZINC001172116041 1051305395 /nfs/dbraw/zinc/30/53/95/1051305395.db2.gz XJUPLVTVUHABJJ-LDLYASANSA-N 1 3 320.480 4.434 20 0 DIADHO CC[C@H](C)OCC[C@H](C)[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172362240 1051373980 /nfs/dbraw/zinc/37/39/80/1051373980.db2.gz SBIJLVISTICIPK-ROUUACIJSA-N 1 3 324.553 4.309 20 0 DIADHO CC[C@H](C)OCC[C@H](C)[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172362240 1051373996 /nfs/dbraw/zinc/37/39/96/1051373996.db2.gz SBIJLVISTICIPK-ROUUACIJSA-N 1 3 324.553 4.309 20 0 DIADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172552273 1051434805 /nfs/dbraw/zinc/43/48/05/1051434805.db2.gz WOFZQHHOGFFQMU-SJLPKXTDSA-N 1 3 300.490 4.303 20 0 DIADHO CCC[N@H+](CCCN)[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172567044 1051445134 /nfs/dbraw/zinc/44/51/34/1051445134.db2.gz BRQUHRZOOHBQOT-LBPRGKRZSA-N 1 3 318.839 4.000 20 0 DIADHO CCC[N@@H+](CCCN)[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172567044 1051445135 /nfs/dbraw/zinc/44/51/35/1051445135.db2.gz BRQUHRZOOHBQOT-LBPRGKRZSA-N 1 3 318.839 4.000 20 0 DIADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172535227 1051450762 /nfs/dbraw/zinc/45/07/62/1051450762.db2.gz FEQJBWHUDXIKOI-UAFMIMERSA-N 1 3 300.490 4.175 20 0 DIADHO C[C@@H](NC1CCC([NH+]2CCCCC2)CC1)c1cccnc1Cl ZINC000766511357 1051455629 /nfs/dbraw/zinc/45/56/29/1051455629.db2.gz CZQUTJZQURVANO-QQFBHYJXSA-N 1 3 321.896 4.183 20 0 DIADHO CCCC[NH+]1CCC(N(C)[C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172723493 1051483785 /nfs/dbraw/zinc/48/37/85/1051483785.db2.gz SYXBPPZWNJMJBB-LJQANCHMSA-N 1 3 320.908 4.004 20 0 DIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](Cc1ccccc1)c1ccccc1)C2 ZINC001169081270 1051515031 /nfs/dbraw/zinc/51/50/31/1051515031.db2.gz PNHAHCQELJAGRW-LRSLUSHPSA-N 1 3 320.480 4.185 20 0 DIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](Cc1ccccc1)c1ccccc1)C2 ZINC001169081270 1051515044 /nfs/dbraw/zinc/51/50/44/1051515044.db2.gz PNHAHCQELJAGRW-LRSLUSHPSA-N 1 3 320.480 4.185 20 0 DIADHO CC(C)C[C@@H](Cc1ccccc1)[NH+]1CCC(N(C)C2CC2)CC1 ZINC001169085266 1051516727 /nfs/dbraw/zinc/51/67/27/1051516727.db2.gz MVDCKEGLIWUSOE-NRFANRHFSA-N 1 3 314.517 4.202 20 0 DIADHO CCN(Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](CC)CC1 ZINC001169262344 1051559979 /nfs/dbraw/zinc/55/99/79/1051559979.db2.gz YYWJVPOIPOSWRW-UHFFFAOYSA-N 1 3 314.395 4.012 20 0 DIADHO FC1(F)CCC[C@@H]1CC[NH+]1CCC(NCc2ccccc2)CC1 ZINC001170469748 1051584834 /nfs/dbraw/zinc/58/48/34/1051584834.db2.gz RCYHDNKPBGHGCB-QGZVFWFLSA-N 1 3 322.443 4.066 20 0 DIADHO CCc1ccc(C[C@@H](C)[NH+]2C(C)(C)CC(N)CC2(C)C)cc1 ZINC001173236582 1051645189 /nfs/dbraw/zinc/64/51/89/1051645189.db2.gz ZLRYHXGFBRKNNQ-OAHLLOKOSA-N 1 3 302.506 4.160 20 0 DIADHO Cc1ccc(CN2CCC[C@H](C[NH3+])[C@H](C)C2)c(Cl)c1Cl ZINC001206013099 1051649880 /nfs/dbraw/zinc/64/98/80/1051649880.db2.gz PFCBTCANWFVLAZ-CHWSQXEVSA-N 1 3 315.288 4.109 20 0 DIADHO C[C@@H](CN)C[N@H+](C)[C@@H](C)CC(c1ccccc1)c1ccccc1 ZINC001173211532 1051650273 /nfs/dbraw/zinc/65/02/73/1051650273.db2.gz QZZKAPDCGXJQMO-ROUUACIJSA-N 1 3 310.485 4.124 20 0 DIADHO C[C@@H](CN)C[N@@H+](C)[C@@H](C)CC(c1ccccc1)c1ccccc1 ZINC001173211532 1051650278 /nfs/dbraw/zinc/65/02/78/1051650278.db2.gz QZZKAPDCGXJQMO-ROUUACIJSA-N 1 3 310.485 4.124 20 0 DIADHO CC[C@H]1CC[C@@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001173293388 1051675928 /nfs/dbraw/zinc/67/59/28/1051675928.db2.gz KUXMFGDGJMDRCN-AZUAARDMSA-N 1 3 312.501 4.163 20 0 DIADHO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc2nc[nH]c2c1C ZINC001169698623 1051677657 /nfs/dbraw/zinc/67/76/57/1051677657.db2.gz SAJMKVLCASKDKJ-HNNXBMFYSA-N 1 3 306.413 4.111 20 0 DIADHO Cc1nc2ccc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)cc2s1 ZINC000494096773 1051688338 /nfs/dbraw/zinc/68/83/38/1051688338.db2.gz CWOAVQLEFQMOCC-KRWDZBQOSA-N 1 3 319.518 4.061 20 0 DIADHO C1CCN(C2CC[NH+]([C@H]3CCCC4(CCCCC4)C3)CC2)C1 ZINC001173346874 1051706543 /nfs/dbraw/zinc/70/65/43/1051706543.db2.gz SMVBLYVXHQCSGA-IBGZPJMESA-N 1 3 304.522 4.440 20 0 DIADHO CN(C1CC1)C1CC[NH+]([C@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173347843 1051706736 /nfs/dbraw/zinc/70/67/36/1051706736.db2.gz BYBMZWULLBNUPZ-IBGZPJMESA-N 1 3 304.522 4.438 20 0 DIADHO CCSc1cccc(CNCc2cccc(C[NH+](C)C)c2)c1 ZINC000185457133 1051765704 /nfs/dbraw/zinc/76/57/04/1051765704.db2.gz ZDJWMGAOBOTZRI-UHFFFAOYSA-N 1 3 314.498 4.150 20 0 DIADHO CSc1ccc([C@@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000219150871 1051774815 /nfs/dbraw/zinc/77/48/15/1051774815.db2.gz PAFXKWKFMXOHED-OAHLLOKOSA-N 1 3 306.519 4.180 20 0 DIADHO CN(C)Cc1ccccc1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001173930126 1051901954 /nfs/dbraw/zinc/90/19/54/1051901954.db2.gz RAVHBPYPQVKXRZ-UHFFFAOYSA-N 1 3 323.484 4.478 20 0 DIADHO CN(C)Cc1ccccc1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001173929377 1051903491 /nfs/dbraw/zinc/90/34/91/1051903491.db2.gz FASLYYFHARDGIH-UHFFFAOYSA-N 1 3 309.457 4.088 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@@H](c2ccccc2C)C2CCCC2)C1 ZINC000494890687 1052157954 /nfs/dbraw/zinc/15/79/54/1052157954.db2.gz OAJFQHGPMOOBGJ-FXAWDEMLSA-N 1 3 300.490 4.158 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@H](c2ccccc2C)C2CCCC2)C1 ZINC000494890689 1052158878 /nfs/dbraw/zinc/15/88/78/1052158878.db2.gz OAJFQHGPMOOBGJ-XLIONFOSSA-N 1 3 300.490 4.158 20 0 DIADHO CCSc1ccc([C@H](C)[NH2+]CCCN2CCCCC2)cc1 ZINC001168476492 1052205540 /nfs/dbraw/zinc/20/55/40/1052205540.db2.gz VMBKVNZFYDQLEF-INIZCTEOSA-N 1 3 306.519 4.325 20 0 DIADHO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2ccccc2s1 ZINC000229445874 1052227677 /nfs/dbraw/zinc/22/76/77/1052227677.db2.gz BRRCZYWMBBMGKQ-BPUTZDHNSA-N 1 3 300.471 4.179 20 0 DIADHO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc2ccccc2s1 ZINC000229445874 1052227684 /nfs/dbraw/zinc/22/76/84/1052227684.db2.gz BRRCZYWMBBMGKQ-BPUTZDHNSA-N 1 3 300.471 4.179 20 0 DIADHO Fc1ccccc1CCCN1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222153968 1052451713 /nfs/dbraw/zinc/45/17/13/1052451713.db2.gz DRKCISQOWGPMCR-HXUWFJFHSA-N 1 3 318.480 4.004 20 0 DIADHO c1cc(-c2ccccc2)sc1C[NH2+]CCCN1CCCCC1 ZINC000315891152 1052454361 /nfs/dbraw/zinc/45/43/61/1052454361.db2.gz POKYLZPEPOARCW-UHFFFAOYSA-N 1 3 314.498 4.381 20 0 DIADHO c1oc2ccccc2c1CN1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222166815 1052454989 /nfs/dbraw/zinc/45/49/89/1052454989.db2.gz CMBXYSYZNNZXBC-HXUWFJFHSA-N 1 3 312.457 4.179 20 0 DIADHO C[C@H](C[N@@H+]1CCC[C@@]12CCCNC2)c1cccc2ccccc21 ZINC001222231620 1052465239 /nfs/dbraw/zinc/46/52/39/1052465239.db2.gz OJYMUIRFRWGWPX-DYESRHJHSA-N 1 3 308.469 4.161 20 0 DIADHO C[C@H](C[N@H+]1CCC[C@@]12CCCNC2)c1cccc2ccccc21 ZINC001222231620 1052465244 /nfs/dbraw/zinc/46/52/44/1052465244.db2.gz OJYMUIRFRWGWPX-DYESRHJHSA-N 1 3 308.469 4.161 20 0 DIADHO CC(C)(C)C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000316903643 1052474915 /nfs/dbraw/zinc/47/49/15/1052474915.db2.gz ZOKBDVPKPMOWCV-OTWHNJEPSA-N 1 3 300.490 4.380 20 0 DIADHO CC(C)(C)C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000316903643 1052474923 /nfs/dbraw/zinc/47/49/23/1052474923.db2.gz ZOKBDVPKPMOWCV-OTWHNJEPSA-N 1 3 300.490 4.380 20 0 DIADHO Cc1c(Cl)ccc(CN2CCC[C@@]23CCC[NH2+]CC3)c1C ZINC001222321599 1052481722 /nfs/dbraw/zinc/48/17/22/1052481722.db2.gz ZYLGYYQPYNEELO-GOSISDBHSA-N 1 3 306.881 4.065 20 0 DIADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(Cl)c1 ZINC000123662360 1052633263 /nfs/dbraw/zinc/63/32/63/1052633263.db2.gz HEFHZHOOWGGGBP-AWEZNQCLSA-N 1 3 302.849 4.252 20 0 DIADHO C[NH+](C)Cc1cccc(CN[C@H]2CCc3cc(Cl)ccc32)c1 ZINC000123707442 1052633353 /nfs/dbraw/zinc/63/33/53/1052633353.db2.gz IQPNECZVOOANFR-IBGZPJMESA-N 1 3 314.860 4.179 20 0 DIADHO Cc1cc([C@H](C)NCc2cccc(C[NH+](C)C)c2)cc(C)c1F ZINC000123727527 1052634167 /nfs/dbraw/zinc/63/41/67/1052634167.db2.gz RIDRAMKWOFTFJC-INIZCTEOSA-N 1 3 314.448 4.355 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(F)cc1C ZINC000064845458 1052651963 /nfs/dbraw/zinc/65/19/63/1052651963.db2.gz UIJFHCXXPDENHB-UHFFFAOYSA-N 1 3 314.448 4.266 20 0 DIADHO C[C@H](CNCc1ccccc1-c1ccccc1)C[NH+]1CCCC1 ZINC000917395593 1052723264 /nfs/dbraw/zinc/72/32/64/1052723264.db2.gz SSFBYDMUQPUTPL-GOSISDBHSA-N 1 3 308.469 4.175 20 0 DIADHO CS[C@@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000129251664 1052781128 /nfs/dbraw/zinc/78/11/28/1052781128.db2.gz ULEQHUXWYLBKMG-SJLPKXTDSA-N 1 3 310.551 4.047 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C[C@@H](c2ccccc2)C2CC2)CC1 ZINC000556210774 1052821465 /nfs/dbraw/zinc/82/14/65/1052821465.db2.gz RSXKDFBKYUHIFW-IBGZPJMESA-N 1 3 300.490 4.033 20 0 DIADHO Clc1ccccc1CN1CCC(C[NH2+]C2CCCC2)CC1 ZINC000237877439 1053036654 /nfs/dbraw/zinc/03/66/54/1053036654.db2.gz YGNUWPAWSMQNRH-UHFFFAOYSA-N 1 3 306.881 4.084 20 0 DIADHO CC(C)CCCN(Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236453335 1053040651 /nfs/dbraw/zinc/04/06/51/1053040651.db2.gz PXTWEKZJXXFQPF-UHFFFAOYSA-N 1 3 308.897 4.330 20 0 DIADHO CC(C)CCC[N@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236453335 1053040654 /nfs/dbraw/zinc/04/06/54/1053040654.db2.gz PXTWEKZJXXFQPF-UHFFFAOYSA-N 1 3 308.897 4.330 20 0 DIADHO CC(C)CCC[N@@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236453335 1053040658 /nfs/dbraw/zinc/04/06/58/1053040658.db2.gz PXTWEKZJXXFQPF-UHFFFAOYSA-N 1 3 308.897 4.330 20 0 DIADHO CC[C@@H]([NH2+]C[C@H]1CCCN(CC)C1)c1cc(Cl)ccc1OC ZINC001319187324 1053224712 /nfs/dbraw/zinc/22/47/12/1053224712.db2.gz MEVDWFYHSSNVIT-RHSMWYFYSA-N 1 3 324.896 4.121 20 0 DIADHO CC1(C)CC[N@H+](Cc2cccc(-c3ccccn3)c2)CC(C)(C)N1 ZINC001474755545 1053392844 /nfs/dbraw/zinc/39/28/44/1053392844.db2.gz NFXAHTPLCSOFKO-UHFFFAOYSA-N 1 3 323.484 4.101 20 0 DIADHO CC1(C)CC[N@@H+](Cc2cccc(-c3ccccn3)c2)CC(C)(C)N1 ZINC001474755545 1053392855 /nfs/dbraw/zinc/39/28/55/1053392855.db2.gz NFXAHTPLCSOFKO-UHFFFAOYSA-N 1 3 323.484 4.101 20 0 DIADHO CC[N@H+](C)Cc1cccc(CNCc2cccc(Cl)c2C)c1 ZINC001200243573 1053493307 /nfs/dbraw/zinc/49/33/07/1053493307.db2.gz KCRBTJZCPGDXBO-UHFFFAOYSA-N 1 3 316.876 4.390 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CNCc2cccc(Cl)c2C)c1 ZINC001200243573 1053493312 /nfs/dbraw/zinc/49/33/12/1053493312.db2.gz KCRBTJZCPGDXBO-UHFFFAOYSA-N 1 3 316.876 4.390 20 0 DIADHO c1c2c[nH]ccc-2nc1C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001232015450 1053944412 /nfs/dbraw/zinc/94/44/12/1053944412.db2.gz JBASZDQUNPWFNK-KRWDZBQOSA-N 1 3 305.425 4.333 20 0 DIADHO c1c2c[nH]ccc-2nc1C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001232015450 1053944422 /nfs/dbraw/zinc/94/44/22/1053944422.db2.gz JBASZDQUNPWFNK-KRWDZBQOSA-N 1 3 305.425 4.333 20 0 DIADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(-c2ccccc2)s1 ZINC001329428695 1053989097 /nfs/dbraw/zinc/98/90/97/1053989097.db2.gz UNMAHJULNRIJKU-ALOPSCKCSA-N 1 3 312.482 4.259 20 0 DIADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc2ccccc2s1 ZINC000296560273 1054090802 /nfs/dbraw/zinc/09/08/02/1054090802.db2.gz SFEGHXCIXWRIBN-OHRKKDJYSA-N 1 3 300.471 4.177 20 0 DIADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc2ccccc2s1 ZINC000296560273 1054090813 /nfs/dbraw/zinc/09/08/13/1054090813.db2.gz SFEGHXCIXWRIBN-OHRKKDJYSA-N 1 3 300.471 4.177 20 0 DIADHO Cc1cc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)sc1C ZINC001233693306 1054333867 /nfs/dbraw/zinc/33/38/67/1054333867.db2.gz UEGMFQYSAMXSOK-IRXDYDNUSA-N 1 3 306.519 4.204 20 0 DIADHO Cc1cc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)sc1C ZINC001233693306 1054333881 /nfs/dbraw/zinc/33/38/81/1054333881.db2.gz UEGMFQYSAMXSOK-IRXDYDNUSA-N 1 3 306.519 4.204 20 0 DIADHO Cc1cc(CN2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)sc1C ZINC001233693306 1054333897 /nfs/dbraw/zinc/33/38/97/1054333897.db2.gz UEGMFQYSAMXSOK-IRXDYDNUSA-N 1 3 306.519 4.204 20 0 DIADHO Cc1cc(CN2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)sc1C ZINC001233693306 1054333911 /nfs/dbraw/zinc/33/39/11/1054333911.db2.gz UEGMFQYSAMXSOK-IRXDYDNUSA-N 1 3 306.519 4.204 20 0 DIADHO CC[N@H+]1CCC[C@H](CN[C@@H](C)c2cc3c(s2)CCCC3)C1 ZINC001340513653 1054362108 /nfs/dbraw/zinc/36/21/08/1054362108.db2.gz GYDAJAVGOJRXSI-LSDHHAIUSA-N 1 3 306.519 4.009 20 0 DIADHO CC[N@@H+]1CCC[C@H](CN[C@@H](C)c2cc3c(s2)CCCC3)C1 ZINC001340513653 1054362101 /nfs/dbraw/zinc/36/21/01/1054362101.db2.gz GYDAJAVGOJRXSI-LSDHHAIUSA-N 1 3 306.519 4.009 20 0 DIADHO CC[C@H](C)c1ccc(NC(=[NH2+])NCCN2CCCCCC2)cc1 ZINC000849059119 1054366651 /nfs/dbraw/zinc/36/66/51/1054366651.db2.gz CQUYKENYTNYSTA-INIZCTEOSA-N 1 3 316.493 4.012 20 0 DIADHO CC[N@@H+]1CCC[C@@H](CN[C@H](C)c2cc3ccccc3s2)C1 ZINC001343272310 1054439197 /nfs/dbraw/zinc/43/91/97/1054439197.db2.gz HLUOVVWWXPLVPG-CABCVRRESA-N 1 3 302.487 4.284 20 0 DIADHO CC[N@H+]1CCC[C@@H](CN[C@H](C)c2cc3ccccc3s2)C1 ZINC001343272310 1054439205 /nfs/dbraw/zinc/43/92/05/1054439205.db2.gz HLUOVVWWXPLVPG-CABCVRRESA-N 1 3 302.487 4.284 20 0 DIADHO CC[N@@H+]1CCC[C@H](CN[C@H](C)c2cc3ccccc3s2)C1 ZINC001343272323 1054440838 /nfs/dbraw/zinc/44/08/38/1054440838.db2.gz HLUOVVWWXPLVPG-HUUCEWRRSA-N 1 3 302.487 4.284 20 0 DIADHO CC[N@H+]1CCC[C@H](CN[C@H](C)c2cc3ccccc3s2)C1 ZINC001343272323 1054440847 /nfs/dbraw/zinc/44/08/47/1054440847.db2.gz HLUOVVWWXPLVPG-HUUCEWRRSA-N 1 3 302.487 4.284 20 0 DIADHO C[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1cc2ccccc2s1 ZINC000623409764 1054586629 /nfs/dbraw/zinc/58/66/29/1054586629.db2.gz OCUDWENNWWETKE-ZFWWWQNUSA-N 1 3 302.487 4.425 20 0 DIADHO C[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1cc2ccccc2s1 ZINC000623409764 1054586642 /nfs/dbraw/zinc/58/66/42/1054586642.db2.gz OCUDWENNWWETKE-ZFWWWQNUSA-N 1 3 302.487 4.425 20 0 DIADHO Cc1ccccc1-c1ccccc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234997326 1054641700 /nfs/dbraw/zinc/64/17/00/1054641700.db2.gz AXOADVLLBRQAJP-QFIPXVFZSA-N 1 3 320.480 4.238 20 0 DIADHO Cc1ccc(CN2CCC[C@]3(CCC[NH2+]3)CC2)c2ccccc12 ZINC001235047322 1054646849 /nfs/dbraw/zinc/64/68/49/1054646849.db2.gz VHPOEEFRVMUIKN-OAQYLSRUSA-N 1 3 308.469 4.256 20 0 DIADHO c1ccc(-c2cccc(CN3CCC[C@@]4(CCC[NH2+]4)CC3)c2)cc1 ZINC001235047175 1054647407 /nfs/dbraw/zinc/64/74/07/1054647407.db2.gz SOLUZRKUQSKDJI-QFIPXVFZSA-N 1 3 320.480 4.462 20 0 DIADHO CC(C)=CCCC1=CC[C@H](C[N@@H+]2CCC23CCNCC3)CC1 ZINC001235103210 1054656453 /nfs/dbraw/zinc/65/64/53/1054656453.db2.gz UKROWCLJHHMFAJ-IBGZPJMESA-N 1 3 302.506 4.287 20 0 DIADHO CC(C)=CCCC1=CC[C@H](C[N@H+]2CCC23CCNCC3)CC1 ZINC001235103210 1054656464 /nfs/dbraw/zinc/65/64/64/1054656464.db2.gz UKROWCLJHHMFAJ-IBGZPJMESA-N 1 3 302.506 4.287 20 0 DIADHO Cc1cccc(Cl)c1CN1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235232561 1054687762 /nfs/dbraw/zinc/68/77/62/1054687762.db2.gz YMGSAWGEKYLEIZ-SFHVURJKSA-N 1 3 306.881 4.003 20 0 DIADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2ccccc2c1 ZINC000623785007 1054761109 /nfs/dbraw/zinc/76/11/09/1054761109.db2.gz SWSQTRQEQBOKFX-NHCUHLMSSA-N 1 3 322.496 4.334 20 0 DIADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2ccccc2c1 ZINC000623785007 1054761126 /nfs/dbraw/zinc/76/11/26/1054761126.db2.gz SWSQTRQEQBOKFX-NHCUHLMSSA-N 1 3 322.496 4.334 20 0 DIADHO c1ccc2cc(C3CCN(C[C@@H]4CCC[NH2+]C4)CC3)ccc2c1 ZINC001235713545 1054786749 /nfs/dbraw/zinc/78/67/49/1054786749.db2.gz CTEUYGBVPCBYEW-QGZVFWFLSA-N 1 3 308.469 4.019 20 0 DIADHO Cc1ccc(CN(C)CCC2CC[NH2+]CC2)c(Cl)c1Cl ZINC001235716956 1054790087 /nfs/dbraw/zinc/79/00/87/1054790087.db2.gz OSIQXFQILLHLJK-UHFFFAOYSA-N 1 3 315.288 4.123 20 0 DIADHO Cc1cccc(C)c1-c1cccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)c1 ZINC001235808860 1054812581 /nfs/dbraw/zinc/81/25/81/1054812581.db2.gz IGPFNVPJPSHOEJ-WKCHPHFGSA-N 1 3 320.480 4.425 20 0 DIADHO CN(Cc1cccc2c3ccccc3sc21)C[C@@H]1CC[NH2+]C1 ZINC001235841732 1054817993 /nfs/dbraw/zinc/81/79/93/1054817993.db2.gz IHSJTFTWAZKBPV-CQSZACIVSA-N 1 3 310.466 4.096 20 0 DIADHO CN(CCC12CC([NH3+])(C1)C2)Cc1sc2ccccc2c1Cl ZINC001235947539 1054863923 /nfs/dbraw/zinc/86/39/23/1054863923.db2.gz DZUAIGWLUQNPHH-UHFFFAOYSA-N 1 3 320.889 4.258 20 0 DIADHO CC(C)=CCCC1=CC[C@@H](C[N@H+](C)C[C@H]2CCCNC2)CC1 ZINC001235951385 1054867185 /nfs/dbraw/zinc/86/71/85/1054867185.db2.gz RSRXBKZCCPDXCR-UXHICEINSA-N 1 3 304.522 4.391 20 0 DIADHO CC(C)=CCCC1=CC[C@@H](C[N@@H+](C)C[C@H]2CCCNC2)CC1 ZINC001235951385 1054867190 /nfs/dbraw/zinc/86/71/90/1054867190.db2.gz RSRXBKZCCPDXCR-UXHICEINSA-N 1 3 304.522 4.391 20 0 DIADHO CN(Cc1cccc2c3ccccc3sc21)C[C@@H]1CCC[NH2+]C1 ZINC001235950356 1054867444 /nfs/dbraw/zinc/86/74/44/1054867444.db2.gz BTGJKPUTZBGDPP-OAHLLOKOSA-N 1 3 324.493 4.486 20 0 DIADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+](C)C[C@@H]1CCCNC1 ZINC001235950844 1054867557 /nfs/dbraw/zinc/86/75/57/1054867557.db2.gz NWUVJWKQSLDZQY-PKOBYXMFSA-N 1 3 316.533 4.094 20 0 DIADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)C[C@@H]1CCCNC1 ZINC001235950844 1054867563 /nfs/dbraw/zinc/86/75/63/1054867563.db2.gz NWUVJWKQSLDZQY-PKOBYXMFSA-N 1 3 316.533 4.094 20 0 DIADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(-c2ccncc2)c1 ZINC000624121154 1054883608 /nfs/dbraw/zinc/88/36/08/1054883608.db2.gz PGUNOGZCHHVZFK-ROUUACIJSA-N 1 3 323.484 4.131 20 0 DIADHO CCSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624121706 1054885107 /nfs/dbraw/zinc/88/51/07/1054885107.db2.gz BKNSAFLIYJCMSE-CVEARBPZSA-N 1 3 306.519 4.181 20 0 DIADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000624122487 1054885134 /nfs/dbraw/zinc/88/51/34/1054885134.db2.gz SGMUULPPBNPZMO-OXJNMPFZSA-N 1 3 316.464 4.083 20 0 DIADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(C(F)(F)F)cc1 ZINC000624121208 1054885463 /nfs/dbraw/zinc/88/54/63/1054885463.db2.gz QCHZUCVCEMHWOQ-KBPBESRZSA-N 1 3 314.395 4.088 20 0 DIADHO Fc1c(CN2CCCCC2)cccc1-c1cccc2c1C[NH2+]CC2 ZINC001236014452 1054897953 /nfs/dbraw/zinc/89/79/53/1054897953.db2.gz BSMQEFWIMDSXIG-UHFFFAOYSA-N 1 3 324.443 4.124 20 0 DIADHO C[C@@H]1C[C@H](N)C[N@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001236046366 1054913069 /nfs/dbraw/zinc/91/30/69/1054913069.db2.gz GBBOMCHLAFRART-HIFRSBDPSA-N 1 3 310.466 4.224 20 0 DIADHO C[C@@H]1C[C@H](N)C[N@@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001236046366 1054913083 /nfs/dbraw/zinc/91/30/83/1054913083.db2.gz GBBOMCHLAFRART-HIFRSBDPSA-N 1 3 310.466 4.224 20 0 DIADHO C[NH2+]C[C@@H]1CCN(Cc2ccccc2-c2ccc(Cl)cc2)C1 ZINC001236066841 1054925148 /nfs/dbraw/zinc/92/51/48/1054925148.db2.gz LRGMUTVAEGOMPA-HNNXBMFYSA-N 1 3 314.860 4.048 20 0 DIADHO [NH3+]Cc1cccc(CN2CCC(c3ccccc3Cl)CC2)c1 ZINC001236071884 1054927059 /nfs/dbraw/zinc/92/70/59/1054927059.db2.gz LEGNLHZYJHTGLT-UHFFFAOYSA-N 1 3 314.860 4.178 20 0 DIADHO C[C@H]1C[N@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)CCCN1 ZINC001236094777 1054939625 /nfs/dbraw/zinc/93/96/25/1054939625.db2.gz ITFXPCRPQGBTNC-INIZCTEOSA-N 1 3 319.452 4.019 20 0 DIADHO C[C@H]1C[N@@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)CCCN1 ZINC001236094777 1054939633 /nfs/dbraw/zinc/93/96/33/1054939633.db2.gz ITFXPCRPQGBTNC-INIZCTEOSA-N 1 3 319.452 4.019 20 0 DIADHO c1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1Cc1cc2cnccc2[nH]1 ZINC001236189246 1054988255 /nfs/dbraw/zinc/98/82/55/1054988255.db2.gz CRDRLOLIBQFJHD-FQEVSTJZSA-N 1 3 316.408 4.381 20 0 DIADHO c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+]1Cc1cc2cnccc2[nH]1 ZINC001236189246 1054988272 /nfs/dbraw/zinc/98/82/72/1054988272.db2.gz CRDRLOLIBQFJHD-FQEVSTJZSA-N 1 3 316.408 4.381 20 0 DIADHO C[N@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)[C@H]1CCCC[C@@H]1N ZINC001236219110 1055009779 /nfs/dbraw/zinc/00/97/79/1055009779.db2.gz ULTHBRUYULGZTL-WMZOPIPTSA-N 1 3 313.489 4.167 20 0 DIADHO C[N@@H+](Cc1c2ccccc2[nH]c1C(C)(C)C)[C@H]1CCCC[C@@H]1N ZINC001236219110 1055009794 /nfs/dbraw/zinc/00/97/94/1055009794.db2.gz ULTHBRUYULGZTL-WMZOPIPTSA-N 1 3 313.489 4.167 20 0 DIADHO CC1=C[C@H](C)[C@H](C[N@H+](C[C@H]2CCCNC2)C2CCCC2)CC1 ZINC001236372587 1055080084 /nfs/dbraw/zinc/08/00/84/1055080084.db2.gz QPURLUCQEAZENY-FHWLQOOXSA-N 1 3 304.522 4.223 20 0 DIADHO CC1=C[C@H](C)[C@H](C[N@@H+](C[C@H]2CCCNC2)C2CCCC2)CC1 ZINC001236372587 1055080098 /nfs/dbraw/zinc/08/00/98/1055080098.db2.gz QPURLUCQEAZENY-FHWLQOOXSA-N 1 3 304.522 4.223 20 0 DIADHO c1cc2c(cccc2C[N@@H+](C[C@H]2CCCNC2)C2CCCC2)o1 ZINC001236376167 1055081733 /nfs/dbraw/zinc/08/17/33/1055081733.db2.gz PYWJBWFYQRXEKL-INIZCTEOSA-N 1 3 312.457 4.177 20 0 DIADHO c1cc2c(cccc2C[N@H+](C[C@H]2CCCNC2)C2CCCC2)o1 ZINC001236376167 1055081746 /nfs/dbraw/zinc/08/17/46/1055081746.db2.gz PYWJBWFYQRXEKL-INIZCTEOSA-N 1 3 312.457 4.177 20 0 DIADHO Cc1c(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)ccc(F)c1F ZINC001236376649 1055082548 /nfs/dbraw/zinc/08/25/48/1055082548.db2.gz UVIGXCZCLYNJJN-HNNXBMFYSA-N 1 3 322.443 4.017 20 0 DIADHO c1cc(C2CC2)ccc1C[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236374452 1055083598 /nfs/dbraw/zinc/08/35/98/1055083598.db2.gz CQFQDYALLYQSLU-SFHVURJKSA-N 1 3 312.501 4.308 20 0 DIADHO c1cc(C2CC2)ccc1C[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236374452 1055083604 /nfs/dbraw/zinc/08/36/04/1055083604.db2.gz CQFQDYALLYQSLU-SFHVURJKSA-N 1 3 312.501 4.308 20 0 DIADHO CCN(Cc1sc2scc(C)c2c1C)C[C@H]1CC[NH2+]C1 ZINC001236410298 1055102706 /nfs/dbraw/zinc/10/27/06/1055102706.db2.gz YLDKIEPIGMKOSD-ZDUSSCGKSA-N 1 3 308.516 4.011 20 0 DIADHO C[C@H]1[C@H](N)CCC[N@@H+]1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001236419169 1055105791 /nfs/dbraw/zinc/10/57/91/1055105791.db2.gz HBXFWYBPMLLPMA-HNAYVOBHSA-N 1 3 319.452 4.147 20 0 DIADHO C[C@H]1[C@H](N)CCC[N@H+]1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001236419169 1055105794 /nfs/dbraw/zinc/10/57/94/1055105794.db2.gz HBXFWYBPMLLPMA-HNAYVOBHSA-N 1 3 319.452 4.147 20 0 DIADHO Clc1ccc(C[N@H+](C[C@H]2CC=CCC2)C2CCNCC2)cc1 ZINC001236454232 1055122029 /nfs/dbraw/zinc/12/20/29/1055122029.db2.gz XBDKGMNHYLYQQI-INIZCTEOSA-N 1 3 318.892 4.250 20 0 DIADHO Clc1ccc(C[N@@H+](C[C@H]2CC=CCC2)C2CCNCC2)cc1 ZINC001236454232 1055122034 /nfs/dbraw/zinc/12/20/34/1055122034.db2.gz XBDKGMNHYLYQQI-INIZCTEOSA-N 1 3 318.892 4.250 20 0 DIADHO CSc1ccc(C[N@H+](CC(C)(C)C)C2CCNCC2)cc1 ZINC001236456384 1055123935 /nfs/dbraw/zinc/12/39/35/1055123935.db2.gz CZRHKXBQZIPOKH-UHFFFAOYSA-N 1 3 306.519 4.009 20 0 DIADHO CSc1ccc(C[N@@H+](CC(C)(C)C)C2CCNCC2)cc1 ZINC001236456384 1055123939 /nfs/dbraw/zinc/12/39/39/1055123939.db2.gz CZRHKXBQZIPOKH-UHFFFAOYSA-N 1 3 306.519 4.009 20 0 DIADHO CSc1ccc(CN(CC(C)(C)C)C2CC[NH2+]CC2)cc1 ZINC001236456384 1055123943 /nfs/dbraw/zinc/12/39/43/1055123943.db2.gz CZRHKXBQZIPOKH-UHFFFAOYSA-N 1 3 306.519 4.009 20 0 DIADHO Cc1ccc(C[N@H+](CC(C)(C)C)C2CCNCC2)cc1Cl ZINC001236456671 1055125398 /nfs/dbraw/zinc/12/53/98/1055125398.db2.gz DBLKWFXALXTCRL-UHFFFAOYSA-N 1 3 308.897 4.249 20 0 DIADHO Cc1ccc(C[N@@H+](CC(C)(C)C)C2CCNCC2)cc1Cl ZINC001236456671 1055125404 /nfs/dbraw/zinc/12/54/04/1055125404.db2.gz DBLKWFXALXTCRL-UHFFFAOYSA-N 1 3 308.897 4.249 20 0 DIADHO Cc1ccc(CN(CC(C)(C)C)C2CC[NH2+]CC2)cc1Cl ZINC001236456671 1055125408 /nfs/dbraw/zinc/12/54/08/1055125408.db2.gz DBLKWFXALXTCRL-UHFFFAOYSA-N 1 3 308.897 4.249 20 0 DIADHO Cc1ccc(F)c(CN(CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c1Cl ZINC001236550030 1055177763 /nfs/dbraw/zinc/17/77/63/1055177763.db2.gz BKFWYINUHFQBSA-SHTZXODSSA-N 1 3 324.871 4.269 20 0 DIADHO CC(C)(C)c1cccc(C[N@H+](C2CCC2)C2CCNCC2)c1 ZINC001236638273 1055208369 /nfs/dbraw/zinc/20/83/69/1055208369.db2.gz XUHVKDWBFIPKJB-UHFFFAOYSA-N 1 3 300.490 4.091 20 0 DIADHO CC(C)(C)c1cccc(C[N@@H+](C2CCC2)C2CCNCC2)c1 ZINC001236638273 1055208379 /nfs/dbraw/zinc/20/83/79/1055208379.db2.gz XUHVKDWBFIPKJB-UHFFFAOYSA-N 1 3 300.490 4.091 20 0 DIADHO CC(C)(C)c1cccc(CN(C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236638273 1055208387 /nfs/dbraw/zinc/20/83/87/1055208387.db2.gz XUHVKDWBFIPKJB-UHFFFAOYSA-N 1 3 300.490 4.091 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc2ccoc21 ZINC001236734892 1055244096 /nfs/dbraw/zinc/24/40/96/1055244096.db2.gz GCPFCXGNYUOGHG-OALUTQOASA-N 1 3 312.457 4.272 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc2ccoc21 ZINC001236734892 1055244105 /nfs/dbraw/zinc/24/41/05/1055244105.db2.gz GCPFCXGNYUOGHG-OALUTQOASA-N 1 3 312.457 4.272 20 0 DIADHO CCCN(Cc1cccc(-c2ccsc2)c1)C[C@H]1CC[NH2+]C1 ZINC001236834889 1055285267 /nfs/dbraw/zinc/28/52/67/1055285267.db2.gz JLCQFBSXLJWWIM-KRWDZBQOSA-N 1 3 314.498 4.237 20 0 DIADHO CCCN(Cc1cccc(-c2ccccc2)c1C)C[C@H]1CC[NH2+]C1 ZINC001236843202 1055289594 /nfs/dbraw/zinc/28/95/94/1055289594.db2.gz LPHOTFBGBOBUMI-IBGZPJMESA-N 1 3 322.496 4.484 20 0 DIADHO CCCN(Cc1ccc(-c2cccs2)cc1)C[C@H]1CC[NH2+]C1 ZINC001236845226 1055289721 /nfs/dbraw/zinc/28/97/21/1055289721.db2.gz ZXHAWTYGCNZEOH-KRWDZBQOSA-N 1 3 314.498 4.237 20 0 DIADHO CC[C@H](N)C[N@H+](C)Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001236867854 1055297877 /nfs/dbraw/zinc/29/78/77/1055297877.db2.gz COBRTBWFDIPFHX-INIZCTEOSA-N 1 3 307.441 4.004 20 0 DIADHO CC[C@H](N)C[N@@H+](C)Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001236867854 1055297881 /nfs/dbraw/zinc/29/78/81/1055297881.db2.gz COBRTBWFDIPFHX-INIZCTEOSA-N 1 3 307.441 4.004 20 0 DIADHO CC[C@H](N)C[N@H+](C)Cc1ccccc1-c1ccc(Cl)cc1 ZINC001236869600 1055300135 /nfs/dbraw/zinc/30/01/35/1055300135.db2.gz LXBXUYVEJRPIPX-KRWDZBQOSA-N 1 3 302.849 4.176 20 0 DIADHO CC[C@H](N)C[N@@H+](C)Cc1ccccc1-c1ccc(Cl)cc1 ZINC001236869600 1055300154 /nfs/dbraw/zinc/30/01/54/1055300154.db2.gz LXBXUYVEJRPIPX-KRWDZBQOSA-N 1 3 302.849 4.176 20 0 DIADHO C[C@H](NC/C=C/c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383944350 1055309266 /nfs/dbraw/zinc/30/92/66/1055309266.db2.gz VQHYBIOYLBHOTP-SQQDLWTQSA-N 1 3 320.480 4.200 20 0 DIADHO C[C@H](NC/C=C/c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383944350 1055309282 /nfs/dbraw/zinc/30/92/82/1055309282.db2.gz VQHYBIOYLBHOTP-SQQDLWTQSA-N 1 3 320.480 4.200 20 0 DIADHO C[C@H]([NH2+]C/C=C/c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000383944350 1055309298 /nfs/dbraw/zinc/30/92/98/1055309298.db2.gz VQHYBIOYLBHOTP-SQQDLWTQSA-N 1 3 320.480 4.200 20 0 DIADHO C[C@]1(C[NH3+])CCCN(Cc2ccccc2CCc2ccccc2)C1 ZINC001237080226 1055365561 /nfs/dbraw/zinc/36/55/61/1055365561.db2.gz FWHFIQIIEPYBKK-JOCHJYFZSA-N 1 3 322.496 4.033 20 0 DIADHO C[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)c1cccc(F)c1 ZINC000765360425 1055370685 /nfs/dbraw/zinc/37/06/85/1055370685.db2.gz RRLUSXJMKQJLDL-INIZCTEOSA-N 1 3 318.480 4.316 20 0 DIADHO c1ccc2c(c1)oc1c2cccc1CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237390435 1055444557 /nfs/dbraw/zinc/44/45/57/1055444557.db2.gz IEGCZEBKEGUAAD-DNVCBOLYSA-N 1 3 320.436 4.160 20 0 DIADHO CC(C)CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001620872961 1055501915 /nfs/dbraw/zinc/50/19/15/1055501915.db2.gz LLIZUYUQANHCJX-QHAWAJNXSA-N 1 3 314.517 4.313 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@@H+]3CCC[C@@H]4CCC[C@H]43)cc21 ZINC001237886049 1055552328 /nfs/dbraw/zinc/55/23/28/1055552328.db2.gz JZNRZDFLHOKMGW-AZUAARDMSA-N 1 3 310.485 4.452 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@H+]3CCC[C@@H]4CCC[C@H]43)cc21 ZINC001237886049 1055552337 /nfs/dbraw/zinc/55/23/37/1055552337.db2.gz JZNRZDFLHOKMGW-AZUAARDMSA-N 1 3 310.485 4.452 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2cc(OCC)ccc2C)CC1 ZINC001238711001 1055727604 /nfs/dbraw/zinc/72/76/04/1055727604.db2.gz IEHKCZOMAIQOPB-UHFFFAOYSA-N 1 3 318.505 4.090 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2cc(OCC)ccc2C)CC1 ZINC001238711001 1055727616 /nfs/dbraw/zinc/72/76/16/1055727616.db2.gz IEHKCZOMAIQOPB-UHFFFAOYSA-N 1 3 318.505 4.090 20 0 DIADHO [NH3+]C1CCN(Cc2ccccc2-c2cccc3ccccc32)CC1 ZINC001239472132 1055897371 /nfs/dbraw/zinc/89/73/71/1055897371.db2.gz WNMBHWPEDDDOOI-UHFFFAOYSA-N 1 3 316.448 4.430 20 0 DIADHO CC[N@H+](C)Cc1cccc(CNCc2ccc(Cl)cc2C)c1 ZINC001620778445 1055945966 /nfs/dbraw/zinc/94/59/66/1055945966.db2.gz UPSHKUWOQLFWLF-UHFFFAOYSA-N 1 3 316.876 4.390 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(Cl)cc2C)c1 ZINC001620778445 1055945977 /nfs/dbraw/zinc/94/59/77/1055945977.db2.gz UPSHKUWOQLFWLF-UHFFFAOYSA-N 1 3 316.876 4.390 20 0 DIADHO CC(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C)C2)c(C(C)C)c1 ZINC001620506729 1055961908 /nfs/dbraw/zinc/96/19/08/1055961908.db2.gz MPGOIKMXGXJCDL-PZJWPPBQSA-N 1 3 314.517 4.459 20 0 DIADHO CC(C)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCN3C)C2)c(C(C)C)c1 ZINC001620506729 1055961919 /nfs/dbraw/zinc/96/19/19/1055961919.db2.gz MPGOIKMXGXJCDL-PZJWPPBQSA-N 1 3 314.517 4.459 20 0 DIADHO C[NH+](C)CC[C@H](NCc1ccc(C(C)(C)C)cc1)C(C)(C)C ZINC001620789911 1055964996 /nfs/dbraw/zinc/96/49/96/1055964996.db2.gz NNENRDGKMXFMIF-SFHVURJKSA-N 1 3 304.522 4.440 20 0 DIADHO CN1CCCC[C@H](C[NH2+]Cc2ccc(C3CCCC3)cc2)C1 ZINC001621006695 1055974502 /nfs/dbraw/zinc/97/45/02/1055974502.db2.gz RAJOKERRPKJCBX-GOSISDBHSA-N 1 3 300.490 4.166 20 0 DIADHO CCc1cccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001621030283 1055993138 /nfs/dbraw/zinc/99/31/38/1055993138.db2.gz AITSXASXXYXHEG-XMSQKQJNSA-N 1 3 322.496 4.107 20 0 DIADHO CCc1cccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001621030283 1055993153 /nfs/dbraw/zinc/99/31/53/1055993153.db2.gz AITSXASXXYXHEG-XMSQKQJNSA-N 1 3 322.496 4.107 20 0 DIADHO CCc1cccc(CNC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001621030281 1055993231 /nfs/dbraw/zinc/99/32/31/1055993231.db2.gz AITSXASXXYXHEG-GCJKJVERSA-N 1 3 322.496 4.107 20 0 DIADHO CCc1cccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001621030281 1055993243 /nfs/dbraw/zinc/99/32/43/1055993243.db2.gz AITSXASXXYXHEG-GCJKJVERSA-N 1 3 322.496 4.107 20 0 DIADHO Fc1ccc(-c2ccc3c(c2)CC[NH2+]C3)cc1CN1CCCCC1 ZINC001240459546 1056521998 /nfs/dbraw/zinc/52/19/98/1056521998.db2.gz YNJNKORIAAMZKT-UHFFFAOYSA-N 1 3 324.443 4.124 20 0 DIADHO CN1CCC[C@H]1CC[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC001616382373 1056646710 /nfs/dbraw/zinc/64/67/10/1056646710.db2.gz KJDVDABZAPZJNF-VQTJNVASSA-N 1 3 300.490 4.382 20 0 DIADHO Cc1cc(C)cc(CNC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000065932188 1056813680 /nfs/dbraw/zinc/81/36/80/1056813680.db2.gz UBEIBNNWEACFTO-UHFFFAOYSA-N 1 3 322.496 4.366 20 0 DIADHO CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC001618048269 1056918298 /nfs/dbraw/zinc/91/82/98/1056918298.db2.gz KROQCOCRWXVEPE-ROUUACIJSA-N 1 3 306.881 4.209 20 0 DIADHO CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC001618048269 1056918304 /nfs/dbraw/zinc/91/83/04/1056918304.db2.gz KROQCOCRWXVEPE-ROUUACIJSA-N 1 3 306.881 4.209 20 0 DIADHO CCC(CC)[NH+]1CCC(N[C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168707343 1056933683 /nfs/dbraw/zinc/93/36/83/1056933683.db2.gz LKNWZBIQWJVRRW-MRXNPFEDSA-N 1 3 320.908 4.050 20 0 DIADHO CCC(CC)N1CCC([NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168707343 1056933688 /nfs/dbraw/zinc/93/36/88/1056933688.db2.gz LKNWZBIQWJVRRW-MRXNPFEDSA-N 1 3 320.908 4.050 20 0 DIADHO CN(C)CC(C)(C)C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000359367735 1057007141 /nfs/dbraw/zinc/00/71/41/1057007141.db2.gz DUVZLIJYRCBTRH-AWEZNQCLSA-N 1 3 312.910 4.054 20 0 DIADHO Cc1nc([C@@H](C)NCC2CC[NH+](CCC(C)C)CC2)c(C)s1 ZINC000676492347 1057476594 /nfs/dbraw/zinc/47/65/94/1057476594.db2.gz MPNJCFYGDLJXEJ-CQSZACIVSA-N 1 3 323.550 4.169 20 0 DIADHO C[N@@H+]1CC[C@H](N[C@H](c2ccc(F)cc2)C2CCC2)CC1(C)C ZINC001649134320 1057552647 /nfs/dbraw/zinc/55/26/47/1057552647.db2.gz WPWSLIPMIMSPIO-ROUUACIJSA-N 1 3 304.453 4.129 20 0 DIADHO C[N@H+]1CC[C@H](N[C@H](c2ccc(F)cc2)C2CCC2)CC1(C)C ZINC001649134320 1057552652 /nfs/dbraw/zinc/55/26/52/1057552652.db2.gz WPWSLIPMIMSPIO-ROUUACIJSA-N 1 3 304.453 4.129 20 0 DIADHO c1ccc(C[C@@H]2C[C@H]([NH2+][C@@H]3CCCc4ccccc43)CCN2)cc1 ZINC001246077786 1058666141 /nfs/dbraw/zinc/66/61/41/1058666141.db2.gz KHQOGQMBIWPNBM-KCZVDYSFSA-N 1 3 320.480 4.017 20 0 DIADHO CCCCCC1CCC(NC[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC001246110438 1058680398 /nfs/dbraw/zinc/68/03/98/1058680398.db2.gz IFECMGUULNGOMI-GPANFISMSA-N 1 3 320.443 4.257 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+]C1(C)CCNCC1 ZINC001246121568 1058683934 /nfs/dbraw/zinc/68/39/34/1058683934.db2.gz BQKUPDLOBKNSGK-SFHVURJKSA-N 1 3 322.496 4.329 20 0 DIADHO CC1(C)C[C@@H]([NH2+]CCc2ccc(Oc3ccccc3)cc2)CCN1 ZINC001246158728 1058703057 /nfs/dbraw/zinc/70/30/57/1058703057.db2.gz LRKNGCXRNOAZOL-SFHVURJKSA-N 1 3 324.468 4.142 20 0 DIADHO CC1(C)C[C@@H](NCCc2ccc(Oc3ccccc3)cc2)CC[NH2+]1 ZINC001246158728 1058703071 /nfs/dbraw/zinc/70/30/71/1058703071.db2.gz LRKNGCXRNOAZOL-SFHVURJKSA-N 1 3 324.468 4.142 20 0 DIADHO CC(C)c1ccc(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC001246163122 1058706043 /nfs/dbraw/zinc/70/60/43/1058706043.db2.gz VUSKCOTUAZVGJD-NHCUHLMSSA-N 1 3 308.469 4.393 20 0 DIADHO CC[C@H]1C[C@@H](NCCc2ccc(-c3ccccc3)cc2)CC[NH2+]1 ZINC001246163361 1058706601 /nfs/dbraw/zinc/70/66/01/1058706601.db2.gz MKZVFHQFRZZXJR-SFTDATJTSA-N 1 3 308.469 4.016 20 0 DIADHO CC[C@H]1C[C@@H]([NH2+]CCc2ccc(-c3ccccc3)cc2)CCN1 ZINC001246163361 1058706622 /nfs/dbraw/zinc/70/66/22/1058706622.db2.gz MKZVFHQFRZZXJR-SFTDATJTSA-N 1 3 308.469 4.016 20 0 DIADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(-c3ccccc3)cc2)C[C@H](C)N1 ZINC001246163968 1058710784 /nfs/dbraw/zinc/71/07/84/1058710784.db2.gz RUMGUHRFCXBLFS-UPHUGPLXSA-N 1 3 308.469 4.015 20 0 DIADHO CCCC[C@H]1C[C@H](NCCCOc2cccc(Cl)c2)CC[NH2+]1 ZINC001246172969 1058715211 /nfs/dbraw/zinc/71/52/11/1058715211.db2.gz FLANOTTWBCHACM-DLBZAZTESA-N 1 3 324.896 4.009 20 0 DIADHO C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CCCCC2)C[C@H](C)N1 ZINC001246175142 1058718454 /nfs/dbraw/zinc/71/84/54/1058718454.db2.gz HAXCGJJKUXEBHF-IZZQQSIFSA-N 1 3 300.490 4.007 20 0 DIADHO CC[C@@H]1C[C@@H](NCCCOc2ccc(Cl)cc2)C[C@H](CC)[NH2+]1 ZINC001246175856 1058718626 /nfs/dbraw/zinc/71/86/26/1058718626.db2.gz GQKIVKNMBRIMFV-BJWYYQGGSA-N 1 3 324.896 4.008 20 0 DIADHO c1ccc(C2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4)CCCCC2)cc1 ZINC001246177363 1058722311 /nfs/dbraw/zinc/72/23/11/1058722311.db2.gz MYKYXSXYCHFVGZ-PMOLBWCYSA-N 1 3 312.501 4.151 20 0 DIADHO CC[C@H]1C[C@H](NCC(C)(c2ccccc2)c2ccccc2)CC[NH2+]1 ZINC001246177601 1058723480 /nfs/dbraw/zinc/72/34/80/1058723480.db2.gz CBYJLZHNYABNQH-LEWJYISDSA-N 1 3 322.496 4.113 20 0 DIADHO CC[C@@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccc3ccccc3c2)CCN1 ZINC001246191607 1058734835 /nfs/dbraw/zinc/73/48/35/1058734835.db2.gz OORBGZGZVVCROB-UXHICEINSA-N 1 3 310.485 4.281 20 0 DIADHO CC[C@H]1C[C@@H]([NH2+]CCC(c2ccccc2)c2ccccc2)CCN1 ZINC001246233409 1058757052 /nfs/dbraw/zinc/75/70/52/1058757052.db2.gz JSQPWWIDIYTVKC-SFTDATJTSA-N 1 3 322.496 4.329 20 0 DIADHO C=Cc1ccc(CN[C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)cc1 ZINC001246233822 1058758211 /nfs/dbraw/zinc/75/82/11/1058758211.db2.gz FFSKCOSSVKZZET-PZJWPPBQSA-N 1 3 324.443 4.360 20 0 DIADHO CC[C@H]1CC(NCCc2ccc3ccccc3c2)C[C@H](CC)[NH2+]1 ZINC001246232702 1058758459 /nfs/dbraw/zinc/75/84/59/1058758459.db2.gz IEXQUEFQZGIQMZ-PMACEKPBSA-N 1 3 310.485 4.281 20 0 DIADHO CC(C)[C@@H]([NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246237276 1058760807 /nfs/dbraw/zinc/76/08/07/1058760807.db2.gz HMNYUCZXDKGYKT-YPAWHYETSA-N 1 3 322.496 4.337 20 0 DIADHO CC(C)[C@@H](N[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246237276 1058760823 /nfs/dbraw/zinc/76/08/23/1058760823.db2.gz HMNYUCZXDKGYKT-YPAWHYETSA-N 1 3 322.496 4.337 20 0 DIADHO CC(C)[C@@H]([NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246237269 1058761686 /nfs/dbraw/zinc/76/16/86/1058761686.db2.gz HMNYUCZXDKGYKT-BHIFYINESA-N 1 3 322.496 4.337 20 0 DIADHO CC(C)[C@@H](N[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246237269 1058761692 /nfs/dbraw/zinc/76/16/92/1058761692.db2.gz HMNYUCZXDKGYKT-BHIFYINESA-N 1 3 322.496 4.337 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H](NCC2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246238355 1058762742 /nfs/dbraw/zinc/76/27/42/1058762742.db2.gz LMIBXTZBZRQYJP-DLBZAZTESA-N 1 3 320.908 4.128 20 0 DIADHO CC[C@H]1C[C@@H]([NH2+]CCCc2ccc(Cl)cc2Cl)CCN1 ZINC001246254413 1058774680 /nfs/dbraw/zinc/77/46/80/1058774680.db2.gz HBDBLXLBECRYLY-GJZGRUSLSA-N 1 3 315.288 4.046 20 0 DIADHO CC1(C)C[C@@H]([NH2+]CCCc2ccc(Cl)cc2Cl)CCN1 ZINC001246257438 1058777277 /nfs/dbraw/zinc/77/72/77/1058777277.db2.gz WHSHEXAOAGPXSG-AWEZNQCLSA-N 1 3 315.288 4.046 20 0 DIADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)c2ccccc21 ZINC001246259725 1058780771 /nfs/dbraw/zinc/78/07/71/1058780771.db2.gz PMRZXQSTNRXQEB-TXXUCJGISA-N 1 3 320.480 4.188 20 0 DIADHO CC[C@@H](N[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1cccc(C)c1 ZINC001246268291 1058785764 /nfs/dbraw/zinc/78/57/64/1058785764.db2.gz OUFMBQOUCIQXRP-FDFHNCONSA-N 1 3 322.496 4.399 20 0 DIADHO CC[C@@H]([NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1)c1cccc(C)c1 ZINC001246268291 1058785786 /nfs/dbraw/zinc/78/57/86/1058785786.db2.gz OUFMBQOUCIQXRP-FDFHNCONSA-N 1 3 322.496 4.399 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+][C@@H](C)Cc2ccc(Cl)cc2)CCN1 ZINC001246273623 1058786783 /nfs/dbraw/zinc/78/67/83/1058786783.db2.gz QONLBDZXJFEDAN-BMGDILEWSA-N 1 3 308.897 4.171 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CCN1 ZINC001246280349 1058793341 /nfs/dbraw/zinc/79/33/41/1058793341.db2.gz TXVOQOHQJAOAMA-CVSAEHQPSA-N 1 3 320.443 4.111 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CCN1 ZINC001246280353 1058793611 /nfs/dbraw/zinc/79/36/11/1058793611.db2.gz TXVOQOHQJAOAMA-PFSRBDOWSA-N 1 3 320.443 4.111 20 0 DIADHO CCCC[C@@H]1C[C@@H](N[C@H](c2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246284007 1058797605 /nfs/dbraw/zinc/79/76/05/1058797605.db2.gz CAJFGYZNKMYHHZ-HSALFYBXSA-N 1 3 300.490 4.428 20 0 DIADHO CCCC[C@@H]1C[C@H](N[C@@H](c2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246284006 1058797972 /nfs/dbraw/zinc/79/79/72/1058797972.db2.gz CAJFGYZNKMYHHZ-AQNXPRMDSA-N 1 3 300.490 4.428 20 0 DIADHO Cc1ccc([C@H](C)[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)c(C)c1 ZINC001246288739 1058802920 /nfs/dbraw/zinc/80/29/20/1058802920.db2.gz CDMXIAFKZPZWHR-JBACZVJFSA-N 1 3 322.496 4.317 20 0 DIADHO CC[C@H](N[C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccc(F)c1 ZINC001246290996 1058805508 /nfs/dbraw/zinc/80/55/08/1058805508.db2.gz PTRMZUBPWMEJFK-UFYCRDLUSA-N 1 3 312.432 4.360 20 0 DIADHO CC[C@@H](N[C@H]1CC[NH2+]C2(CCCCC2)C1)c1ccccc1C ZINC001246314019 1058826249 /nfs/dbraw/zinc/82/62/49/1058826249.db2.gz MMIQHMOLFVKVGW-PKOBYXMFSA-N 1 3 300.490 4.491 20 0 DIADHO CC[C@@H](N[C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccc(F)c1 ZINC001246318082 1058831864 /nfs/dbraw/zinc/83/18/64/1058831864.db2.gz PTRMZUBPWMEJFK-ZCNNSNEGSA-N 1 3 312.432 4.360 20 0 DIADHO CC[C@@H](N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccc(F)c1 ZINC001246318078 1058832208 /nfs/dbraw/zinc/83/22/08/1058832208.db2.gz PTRMZUBPWMEJFK-VAMGGRTRSA-N 1 3 312.432 4.360 20 0 DIADHO Clc1ccc(C2(NC3CCC4(CC4)CC3)CC[NH2+]CC2)cc1 ZINC001246333819 1058841184 /nfs/dbraw/zinc/84/11/84/1058841184.db2.gz AOQSZCBVJKDPPF-UHFFFAOYSA-N 1 3 318.892 4.231 20 0 DIADHO CCCCCC[C@H](CC)[NH2+]C[C@H]1CCN[C@H]1c1cccnc1 ZINC001246340054 1058847154 /nfs/dbraw/zinc/84/71/54/1058847154.db2.gz KODOXEROLFWOER-QYZOEREBSA-N 1 3 303.494 4.071 20 0 DIADHO CC1(C)CCC(NC2(c3ccc(Cl)cc3)CC[NH2+]CC2)CC1 ZINC001246338436 1058847959 /nfs/dbraw/zinc/84/79/59/1058847959.db2.gz XVLZOBVZPIDUFF-UHFFFAOYSA-N 1 3 320.908 4.477 20 0 DIADHO CC[C@@H](CC(C)C)NC1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001246339285 1058849763 /nfs/dbraw/zinc/84/97/63/1058849763.db2.gz DCXTXRXRWRIWCW-KRWDZBQOSA-N 1 3 308.897 4.333 20 0 DIADHO C[C@H]1CC(NC2(c3ccc(Cl)cc3)CC[NH2+]CC2)C[C@H](C)C1 ZINC001246342961 1058854182 /nfs/dbraw/zinc/85/41/82/1058854182.db2.gz UGTCRUKLOHTTPT-HUUCEWRRSA-N 1 3 320.908 4.333 20 0 DIADHO Fc1ccc(CCN[C@H]2CC[NH2+]C3(CCCCC3)C2)c(Cl)c1 ZINC001246345571 1058858092 /nfs/dbraw/zinc/85/80/92/1058858092.db2.gz GDFMAUJQLJOLJK-INIZCTEOSA-N 1 3 324.871 4.066 20 0 DIADHO COc1cccc(C(C)(C)N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246363683 1058868012 /nfs/dbraw/zinc/86/80/12/1058868012.db2.gz SNOJEIMCFPOXFR-AZUAARDMSA-N 1 3 324.468 4.013 20 0 DIADHO c1ccc([C@@H]2C[C@@H](NCc3cccc(C4CC4)c3)CC[NH2+]2)cc1 ZINC001246361846 1058871382 /nfs/dbraw/zinc/87/13/82/1058871382.db2.gz JPPHADNNSHLGQC-SFTDATJTSA-N 1 3 306.453 4.147 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C(C)(C)CCN ZINC001246366015 1058873840 /nfs/dbraw/zinc/87/38/40/1058873840.db2.gz WITATGOKXIKWEA-LLVKDONJSA-N 1 3 303.277 4.032 20 0 DIADHO C[C@H]1CCC[C@H]([NH2+]C2(c3ccccc3Cl)CCNCC2)C1 ZINC001246375294 1058877936 /nfs/dbraw/zinc/87/79/36/1058877936.db2.gz OABLBKIVPMQHLO-GJZGRUSLSA-N 1 3 306.881 4.087 20 0 DIADHO C[C@@H]1CC([NH2+]C2(c3ccccc3Cl)CCNCC2)C[C@@H](C)C1 ZINC001246374817 1058879211 /nfs/dbraw/zinc/87/92/11/1058879211.db2.gz MCKURBPAIYNNAR-GJZGRUSLSA-N 1 3 320.908 4.333 20 0 DIADHO CCCC[C@H](CC)[NH2+]C1(c2ccccc2Cl)CCNCC1 ZINC001246377035 1058883166 /nfs/dbraw/zinc/88/31/66/1058883166.db2.gz YFTOSSFIURXMRE-HNNXBMFYSA-N 1 3 308.897 4.477 20 0 DIADHO CCCCC[C@@H](CC)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246380562 1058885684 /nfs/dbraw/zinc/88/56/84/1058885684.db2.gz IOCIGTPJMKWTFY-GOSISDBHSA-N 1 3 320.496 4.439 20 0 DIADHO CC[C@H]1CC[C@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)C1 ZINC001246384715 1058889273 /nfs/dbraw/zinc/88/92/73/1058889273.db2.gz AGVDOBKOOFXJDS-YJBOKZPZSA-N 1 3 320.908 4.173 20 0 DIADHO CCCC[C@H](C)[NH2+]C1(Cc2ccccc2Cl)CCNCC1 ZINC001246384800 1058889592 /nfs/dbraw/zinc/88/95/92/1058889592.db2.gz CAKJVBQALBFILG-HNNXBMFYSA-N 1 3 308.897 4.173 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)CCN1 ZINC001246389885 1058892345 /nfs/dbraw/zinc/89/23/45/1058892345.db2.gz LPSZVSOAGLOYIZ-OALUTQOASA-N 1 3 318.480 4.049 20 0 DIADHO CC(C)CC[C@H](C)[NH2+]C1(Cc2ccccc2Cl)CCNCC1 ZINC001246391372 1058899060 /nfs/dbraw/zinc/89/90/60/1058899060.db2.gz MFOVVCKBEGDWRR-INIZCTEOSA-N 1 3 322.924 4.419 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H](NC2(Cc3cccc(F)c3)CCC2)CC[NH2+]1 ZINC001246395339 1058900982 /nfs/dbraw/zinc/90/09/82/1058900982.db2.gz VELCFMQPIDEXFY-ROUUACIJSA-N 1 3 318.480 4.047 20 0 DIADHO CC[C@H]1C[C@@H]([NH2+]C2(CC3CCC3)CCC(F)(F)CC2)CCN1 ZINC001246404003 1058906913 /nfs/dbraw/zinc/90/69/13/1058906913.db2.gz GXSPKFXSIJHHQC-HOTGVXAUSA-N 1 3 314.464 4.245 20 0 DIADHO CC[C@@H]1C[C@H](NC2(c3ccccc3)CCC(F)(F)CC2)CC[NH2+]1 ZINC001246408073 1058907657 /nfs/dbraw/zinc/90/76/57/1058907657.db2.gz UGRFOHNSUVRZFB-IAGOWNOFSA-N 1 3 322.443 4.211 20 0 DIADHO C[C@H]1CC([NH2+]C2(CC3CCC3)CCC(F)(F)CC2)C[C@H](C)N1 ZINC001246405738 1058908154 /nfs/dbraw/zinc/90/81/54/1058908154.db2.gz NLSGCFJRJJGMCK-KBPBESRZSA-N 1 3 314.464 4.243 20 0 DIADHO Cc1cccc(C2(N[C@H]3CC[NH2+][C@H](C)C3)CCC(F)(F)CC2)c1 ZINC001246411095 1058915413 /nfs/dbraw/zinc/91/54/13/1058915413.db2.gz ZQEYRZQVEZUVLC-WBVHZDCISA-N 1 3 322.443 4.130 20 0 DIADHO Cc1cccc(C2([NH2+][C@H]3CCN[C@H](C)C3)CCC(F)(F)CC2)c1 ZINC001246411095 1058915432 /nfs/dbraw/zinc/91/54/32/1058915432.db2.gz ZQEYRZQVEZUVLC-WBVHZDCISA-N 1 3 322.443 4.130 20 0 DIADHO CCOc1ccc([C@@H](C)N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC001246414917 1058916553 /nfs/dbraw/zinc/91/65/53/1058916553.db2.gz VDSNDAKDFZEPGE-LKUPVBHCSA-N 1 3 324.468 4.229 20 0 DIADHO CCCCC[C@H](CCC)[NH2+]C1(Cc2cccnc2)CCNCC1 ZINC001246422703 1058917602 /nfs/dbraw/zinc/91/76/02/1058917602.db2.gz VTDYVBUMWNRFAZ-IBGZPJMESA-N 1 3 317.521 4.085 20 0 DIADHO CCCC[C@H]1C[C@H]([NH2+]C2(CC)CCC(F)(F)CC2)CCN1 ZINC001246417310 1058919702 /nfs/dbraw/zinc/91/97/02/1058919702.db2.gz UFHNNFORUPRPFJ-LSDHHAIUSA-N 1 3 302.453 4.245 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH2+]C2(CC)CCC(F)(F)CC2)CCN1 ZINC001246417306 1058919998 /nfs/dbraw/zinc/91/99/98/1058919998.db2.gz UFHNNFORUPRPFJ-GJZGRUSLSA-N 1 3 302.453 4.245 20 0 DIADHO CCCC[C@H](CC)NC1(c2cccc(Cl)c2)CC[NH2+]CC1 ZINC001246432316 1058926744 /nfs/dbraw/zinc/92/67/44/1058926744.db2.gz WZDOKBUCPRAVCX-KRWDZBQOSA-N 1 3 308.897 4.477 20 0 DIADHO Cc1ccccc1CC(C)(C)C[NH2+][C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246433458 1058927184 /nfs/dbraw/zinc/92/71/84/1058927184.db2.gz KLJYAWJZIFKHCN-OALUTQOASA-N 1 3 316.533 4.320 20 0 DIADHO CC1(C)CCC[C@H](NC2(c3cccc(Cl)c3)CC[NH2+]CC2)C1 ZINC001246430798 1058927492 /nfs/dbraw/zinc/92/74/92/1058927492.db2.gz ONJPKSUHVQVWLH-KRWDZBQOSA-N 1 3 320.908 4.477 20 0 DIADHO CC[C@@H](C)C[C@@H](CC)NC1(c2cccc(F)c2)CC[NH2+]CC1 ZINC001246434090 1058928252 /nfs/dbraw/zinc/92/82/52/1058928252.db2.gz AKOIXKIGJVDVSH-CRAIPNDOSA-N 1 3 306.469 4.209 20 0 DIADHO CC[C@H]1CC[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CCNCC2)C1 ZINC001246436038 1058929820 /nfs/dbraw/zinc/92/98/20/1058929820.db2.gz ISMPXDUSDDBQHZ-MAUKXSAKSA-N 1 3 320.908 4.173 20 0 DIADHO C[C@@H]1CCC[C@H](NC2(c3cccc(Cl)c3)CC[NH2+]CC2)C1 ZINC001246436974 1058931722 /nfs/dbraw/zinc/93/17/22/1058931722.db2.gz LPAJCEUZHMVHGH-PBHICJAKSA-N 1 3 306.881 4.087 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccc(F)c3)CC2)CCN1 ZINC001246439266 1058934151 /nfs/dbraw/zinc/93/41/51/1058934151.db2.gz NXUZRKPGZMBHHT-MOPGFXCFSA-N 1 3 318.480 4.049 20 0 DIADHO Cc1ccccc1C(C)(C)[NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246440757 1058934414 /nfs/dbraw/zinc/93/44/14/1058934414.db2.gz XFEYSZZTEZOOOZ-VQTJNVASSA-N 1 3 322.496 4.183 20 0 DIADHO Fc1cccc(CC2([NH2+]C3CCCCCCC3)CCNCC2)c1 ZINC001246455151 1058939364 /nfs/dbraw/zinc/93/93/64/1058939364.db2.gz GQSCDDFWCJHOKZ-UHFFFAOYSA-N 1 3 318.480 4.193 20 0 DIADHO CC(C)CCC[C@H](C)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246452386 1058939541 /nfs/dbraw/zinc/93/95/41/1058939541.db2.gz DZSDCOODEIDTFA-SFHVURJKSA-N 1 3 302.506 4.156 20 0 DIADHO CCCC1CCC([NH2+]C2(Cc3ccccc3)CCNCC2)CC1 ZINC001246460107 1058943143 /nfs/dbraw/zinc/94/31/43/1058943143.db2.gz NKZAYUZZUVZEOM-UHFFFAOYSA-N 1 3 314.517 4.300 20 0 DIADHO CC[C@@H](N[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccc(C)cc1 ZINC001246459619 1058944841 /nfs/dbraw/zinc/94/48/41/1058944841.db2.gz BZTBFZPVBCBYDB-BHIFYINESA-N 1 3 322.496 4.399 20 0 DIADHO CC[C@@H]([NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1)c1ccc(C)cc1 ZINC001246459619 1058944855 /nfs/dbraw/zinc/94/48/55/1058944855.db2.gz BZTBFZPVBCBYDB-BHIFYINESA-N 1 3 322.496 4.399 20 0 DIADHO CC[C@@H](C)C[C@H](CC)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246457357 1058945490 /nfs/dbraw/zinc/94/54/90/1058945490.db2.gz JSCAAQLSCWZGOL-APWZRJJASA-N 1 3 320.496 4.295 20 0 DIADHO CC[C@@H](N[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccc(C)cc1 ZINC001246459617 1058946326 /nfs/dbraw/zinc/94/63/26/1058946326.db2.gz BZTBFZPVBCBYDB-BHDDXSALSA-N 1 3 322.496 4.399 20 0 DIADHO CC[C@@H]([NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1)c1ccc(C)cc1 ZINC001246459617 1058946345 /nfs/dbraw/zinc/94/63/45/1058946345.db2.gz BZTBFZPVBCBYDB-BHDDXSALSA-N 1 3 322.496 4.399 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCN1 ZINC001246460688 1058950631 /nfs/dbraw/zinc/95/06/31/1058950631.db2.gz HKUBGIUHFVWGAF-FUMNGEBKSA-N 1 3 300.490 4.223 20 0 DIADHO CC(C)=CCC[C@H](C)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246465754 1058951785 /nfs/dbraw/zinc/95/17/85/1058951785.db2.gz RPKNOTSUKGBWMP-SFHVURJKSA-N 1 3 300.490 4.076 20 0 DIADHO CC(C)CCC[C@H](C)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246465767 1058951828 /nfs/dbraw/zinc/95/18/28/1058951828.db2.gz RSKVMIGHKROFNT-KRWDZBQOSA-N 1 3 320.496 4.295 20 0 DIADHO c1ccc(CC2([NH2+]C3CCCCCCC3)CCNCC2)cc1 ZINC001246467902 1058953082 /nfs/dbraw/zinc/95/30/82/1058953082.db2.gz WDUUEWCMZCVOIX-UHFFFAOYSA-N 1 3 300.490 4.054 20 0 DIADHO CC(C)[C@H]1C[C@H](N[C@@H](c2ccccc2)C2CCCC2)CC[NH2+]1 ZINC001246468134 1058953513 /nfs/dbraw/zinc/95/35/13/1058953513.db2.gz HUMPCCOHOFWEBK-AQNXPRMDSA-N 1 3 300.490 4.284 20 0 DIADHO CCCC[C@@H](CCC)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246470922 1058955550 /nfs/dbraw/zinc/95/55/50/1058955550.db2.gz ZNOCTIHDDYKZQO-LJQANCHMSA-N 1 3 302.506 4.300 20 0 DIADHO c1ccc2c(c1)-c1ccccc1C2C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC001246469321 1058956419 /nfs/dbraw/zinc/95/64/19/1058956419.db2.gz IXJKFVSHEWAUAY-INIZCTEOSA-N 1 3 318.464 4.063 20 0 DIADHO CCCC[C@H](CCC)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246470921 1058957766 /nfs/dbraw/zinc/95/77/66/1058957766.db2.gz ZNOCTIHDDYKZQO-IBGZPJMESA-N 1 3 302.506 4.300 20 0 DIADHO Cc1cccc([C@H](N[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)C(C)C)c1 ZINC001246474116 1058960219 /nfs/dbraw/zinc/96/02/19/1058960219.db2.gz KZWWVAITOSZTHC-CEXWTWQISA-N 1 3 302.506 4.448 20 0 DIADHO CCC1CCC(C2CCC([NH2+][C@H](C3CC3)C3CNC3)CC2)CC1 ZINC001246514446 1058979446 /nfs/dbraw/zinc/97/94/46/1058979446.db2.gz HZQQANBHXNQZFN-YJTSYEGSSA-N 1 3 318.549 4.349 20 0 DIADHO CC(C)N(Cc1ccccc1)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246521807 1058980474 /nfs/dbraw/zinc/98/04/74/1058980474.db2.gz RMFVKNBGMGPBAB-IBGZPJMESA-N 1 3 300.490 4.352 20 0 DIADHO c1ccc(CCCC2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246536203 1058990331 /nfs/dbraw/zinc/99/03/31/1058990331.db2.gz NEHDYYWYSDFKBU-WCRBZPEASA-N 1 3 312.501 4.004 20 0 DIADHO CCCCCC[C@H](CCCC)[N@@H+]1CCC(F)(F)[C@@H](CN)C1 ZINC001246558054 1058999124 /nfs/dbraw/zinc/99/91/24/1058999124.db2.gz NXGKWRPTDGFBBG-HOTGVXAUSA-N 1 3 304.469 4.432 20 0 DIADHO CCCCCC[C@H](CCCC)[N@H+]1CCC(F)(F)[C@@H](CN)C1 ZINC001246558054 1058999145 /nfs/dbraw/zinc/99/91/45/1058999145.db2.gz NXGKWRPTDGFBBG-HOTGVXAUSA-N 1 3 304.469 4.432 20 0 DIADHO CCCCCC[C@H](CCCC)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246558054 1058999166 /nfs/dbraw/zinc/99/91/66/1058999166.db2.gz NXGKWRPTDGFBBG-HOTGVXAUSA-N 1 3 304.469 4.432 20 0 DIADHO Cc1ccc(CC[C@H](C)[N@@H+](C(C)C)[C@@H]2CCCNCC2)cc1 ZINC001246581804 1059012639 /nfs/dbraw/zinc/01/26/39/1059012639.db2.gz AWEMXCGDUDCYMX-AZUAARDMSA-N 1 3 302.506 4.169 20 0 DIADHO Cc1ccc(CC[C@H](C)[N@H+](C(C)C)[C@@H]2CCCNCC2)cc1 ZINC001246581804 1059012660 /nfs/dbraw/zinc/01/26/60/1059012660.db2.gz AWEMXCGDUDCYMX-AZUAARDMSA-N 1 3 302.506 4.169 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1C[C@H](CN)CC[C@H]1C ZINC001246593661 1059016613 /nfs/dbraw/zinc/01/66/13/1059016613.db2.gz SINXNHIFWRBTPP-OAGGEKHMSA-N 1 3 324.534 4.129 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@H](CN)CC[C@H]1C ZINC001246593661 1059016634 /nfs/dbraw/zinc/01/66/34/1059016634.db2.gz SINXNHIFWRBTPP-OAGGEKHMSA-N 1 3 324.534 4.129 20 0 DIADHO Clc1cccc(C2CC[NH+]([C@@H]3CCNC4(CCC4)C3)CC2)c1 ZINC001246596323 1059019208 /nfs/dbraw/zinc/01/92/08/1059019208.db2.gz PMZPQPFBSKZFLM-GOSISDBHSA-N 1 3 318.892 4.194 20 0 DIADHO Clc1cccc(C2CCN([C@@H]3CC[NH2+]C4(CCC4)C3)CC2)c1 ZINC001246596323 1059019230 /nfs/dbraw/zinc/01/92/30/1059019230.db2.gz PMZPQPFBSKZFLM-GOSISDBHSA-N 1 3 318.892 4.194 20 0 DIADHO CC[C@@H]1C[C@@H](N2CCC(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246602879 1059021537 /nfs/dbraw/zinc/02/15/37/1059021537.db2.gz QGJNOBZLLHYAKG-MSOLQXFVSA-N 1 3 306.881 4.050 20 0 DIADHO CC[C@H]1C[C@@H](N2CCC(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246602882 1059022782 /nfs/dbraw/zinc/02/27/82/1059022782.db2.gz QGJNOBZLLHYAKG-ROUUACIJSA-N 1 3 306.881 4.050 20 0 DIADHO C[C@H](Cc1ccc(F)cc1Cl)N1CCC[C@@]12CCC[NH2+]CC2 ZINC001246609171 1059025930 /nfs/dbraw/zinc/02/59/30/1059025930.db2.gz XQRMKXGLQROVGF-RDTXWAMCSA-N 1 3 324.871 4.018 20 0 DIADHO C[C@H](Cc1ccccc1F)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246609274 1059027208 /nfs/dbraw/zinc/02/72/08/1059027208.db2.gz MCKMRSGADHUSGM-YLJYHZDGSA-N 1 3 318.480 4.003 20 0 DIADHO C[C@@H](Cc1ccccc1F)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246609268 1059028109 /nfs/dbraw/zinc/02/81/09/1059028109.db2.gz MCKMRSGADHUSGM-FXAWDEMLSA-N 1 3 318.480 4.003 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC001246619858 1059031121 /nfs/dbraw/zinc/03/11/21/1059031121.db2.gz JAAPAMDEOFYISC-WOJBJXKFSA-N 1 3 300.490 4.006 20 0 DIADHO CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC001246619858 1059031138 /nfs/dbraw/zinc/03/11/38/1059031138.db2.gz JAAPAMDEOFYISC-WOJBJXKFSA-N 1 3 300.490 4.006 20 0 DIADHO Cc1ccc(SC[C@@H](C)N2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001246628650 1059040718 /nfs/dbraw/zinc/04/07/18/1059040718.db2.gz BXTQUYZCOJCCTI-IEBWSBKVSA-N 1 3 318.530 4.084 20 0 DIADHO C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CCCC12CCNCC2 ZINC001246644546 1059047610 /nfs/dbraw/zinc/04/76/10/1059047610.db2.gz KLQQPANXICVUPA-CQSZACIVSA-N 1 3 324.921 4.039 20 0 DIADHO C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CCCC12CCNCC2 ZINC001246644546 1059047631 /nfs/dbraw/zinc/04/76/31/1059047631.db2.gz KLQQPANXICVUPA-CQSZACIVSA-N 1 3 324.921 4.039 20 0 DIADHO C[C@H](CSc1ccc(Cl)cc1)N1CCCC12CC[NH2+]CC2 ZINC001246644546 1059047654 /nfs/dbraw/zinc/04/76/54/1059047654.db2.gz KLQQPANXICVUPA-CQSZACIVSA-N 1 3 324.921 4.039 20 0 DIADHO CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CCCCC12CCNCC2 ZINC001246649355 1059050150 /nfs/dbraw/zinc/05/01/50/1059050150.db2.gz XTNWMBZRSXOCTO-FQEVSTJZSA-N 1 3 314.517 4.252 20 0 DIADHO CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCCCC12CCNCC2 ZINC001246649355 1059050172 /nfs/dbraw/zinc/05/01/72/1059050172.db2.gz XTNWMBZRSXOCTO-FQEVSTJZSA-N 1 3 314.517 4.252 20 0 DIADHO Cc1ccccc1[C@@H]1CCC[N@@H+]1[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246680749 1059065099 /nfs/dbraw/zinc/06/50/99/1059065099.db2.gz KZIDPIJCQCPCJL-NZSAHSFTSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccccc1[C@@H]1CCC[N@H+]1[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246680749 1059065120 /nfs/dbraw/zinc/06/51/20/1059065120.db2.gz KZIDPIJCQCPCJL-NZSAHSFTSA-N 1 3 300.490 4.299 20 0 DIADHO CCCCCC1CCC([N@H+]2C[C@H](C3(N)CC3)[C@H](CF)C2)CC1 ZINC001246698361 1059066567 /nfs/dbraw/zinc/06/65/67/1059066567.db2.gz XTAMOQGKCYPVFO-FPQWYMTMSA-N 1 3 310.501 4.134 20 0 DIADHO CCCCCC1CCC([N@@H+]2C[C@H](C3(N)CC3)[C@H](CF)C2)CC1 ZINC001246698361 1059066589 /nfs/dbraw/zinc/06/65/89/1059066589.db2.gz XTAMOQGKCYPVFO-FPQWYMTMSA-N 1 3 310.501 4.134 20 0 DIADHO CCC(C)(C)C1CCC([N@@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)CC1 ZINC001246687703 1059066845 /nfs/dbraw/zinc/06/68/45/1059066845.db2.gz DWNHXORARDGOAY-AKSNENBUSA-N 1 3 310.501 4.005 20 0 DIADHO CCC(C)(C)C1CCC([N@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)CC1 ZINC001246687703 1059066867 /nfs/dbraw/zinc/06/68/67/1059066867.db2.gz DWNHXORARDGOAY-AKSNENBUSA-N 1 3 310.501 4.005 20 0 DIADHO CCCCCC1CCC([N@@H+]2C[C@H](CF)[C@@H](C3(N)CC3)C2)CC1 ZINC001246698367 1059069158 /nfs/dbraw/zinc/06/91/58/1059069158.db2.gz XTAMOQGKCYPVFO-IKJBURDNSA-N 1 3 310.501 4.134 20 0 DIADHO CCCCCC1CCC([N@H+]2C[C@H](CF)[C@@H](C3(N)CC3)C2)CC1 ZINC001246698367 1059069178 /nfs/dbraw/zinc/06/91/78/1059069178.db2.gz XTAMOQGKCYPVFO-IKJBURDNSA-N 1 3 310.501 4.134 20 0 DIADHO c1ccc(CCC2CC[NH+]([C@@H]3CCNC4(CCC4)C3)CC2)cc1 ZINC001246774289 1059075331 /nfs/dbraw/zinc/07/53/31/1059075331.db2.gz FXJBUFKGMLGGEW-HXUWFJFHSA-N 1 3 312.501 4.006 20 0 DIADHO CCCC[C@H]1C[C@H](N2CCC(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246781038 1059077230 /nfs/dbraw/zinc/07/72/30/1059077230.db2.gz BBKCWOCNIJXRTD-VQTJNVASSA-N 1 3 318.480 4.316 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H](CN)C1 ZINC001246779442 1059079541 /nfs/dbraw/zinc/07/95/41/1059079541.db2.gz GYAWZHONPAFBCA-OALUTQOASA-N 1 3 322.496 4.268 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H](CN)C1 ZINC001246779442 1059079564 /nfs/dbraw/zinc/07/95/64/1059079564.db2.gz GYAWZHONPAFBCA-OALUTQOASA-N 1 3 322.496 4.268 20 0 DIADHO c1ccc(CCC2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4)CC2)cc1 ZINC001246779470 1059080379 /nfs/dbraw/zinc/08/03/79/1059080379.db2.gz HRFLRDFITARXJA-WKCHPHFGSA-N 1 3 312.501 4.004 20 0 DIADHO C[NH2+]CC[C@H](C)N1CCC(c2ccccc2)(c2ccccc2)CC1 ZINC001246777610 1059081592 /nfs/dbraw/zinc/08/15/92/1059081592.db2.gz NWWXWYGWQPWWND-IBGZPJMESA-N 1 3 322.496 4.067 20 0 DIADHO CCCC[C@@H]1C[C@H](N2CCC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246779761 1059081857 /nfs/dbraw/zinc/08/18/57/1059081857.db2.gz UHUQBVLVVHTLPQ-XUVXKRRUSA-N 1 3 300.490 4.177 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246779761 1059081874 /nfs/dbraw/zinc/08/18/74/1059081874.db2.gz UHUQBVLVVHTLPQ-XUVXKRRUSA-N 1 3 300.490 4.177 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246779761 1059081893 /nfs/dbraw/zinc/08/18/93/1059081893.db2.gz UHUQBVLVVHTLPQ-XUVXKRRUSA-N 1 3 300.490 4.177 20 0 DIADHO Cc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CCN[C@@H](C(C)(C)C)C2)cc1 ZINC001246779655 1059082031 /nfs/dbraw/zinc/08/20/31/1059082031.db2.gz IFZBDLHRLMGMMV-GBESFXJTSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccc([C@@H]2CCC[N@H+]2[C@H]2CCN[C@@H](C(C)(C)C)C2)cc1 ZINC001246779655 1059082043 /nfs/dbraw/zinc/08/20/43/1059082043.db2.gz IFZBDLHRLMGMMV-GBESFXJTSA-N 1 3 300.490 4.299 20 0 DIADHO CC(C)(C)[C@H]1C[C@H](N2CCC(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246788936 1059091415 /nfs/dbraw/zinc/09/14/15/1059091415.db2.gz RYYHOWZVVAOUIZ-RTBURBONSA-N 1 3 318.480 4.172 20 0 DIADHO CC[C@@H]1CC(N2CCC[C@H]2c2ccccc2OC)C[C@@H](CC)[NH2+]1 ZINC001246792525 1059099159 /nfs/dbraw/zinc/09/91/59/1059099159.db2.gz QLXBIEUVPPTQFA-MDZRGWNJSA-N 1 3 316.489 4.141 20 0 DIADHO CC[NH2+]C1CCN(C2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC001246805088 1059103324 /nfs/dbraw/zinc/10/33/24/1059103324.db2.gz RWCLQZACDWSQBP-UHFFFAOYSA-N 1 3 320.908 4.440 20 0 DIADHO C[Si](C)(C)C[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246814247 1059106590 /nfs/dbraw/zinc/10/65/90/1059106590.db2.gz POFGGIKDWLSOMN-BWTSREIZSA-N 1 3 316.565 4.039 20 0 DIADHO C[Si](C)(C)C[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246814247 1059106596 /nfs/dbraw/zinc/10/65/96/1059106596.db2.gz POFGGIKDWLSOMN-BWTSREIZSA-N 1 3 316.565 4.039 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H](N)CC[C@H]1C ZINC001246818422 1059112225 /nfs/dbraw/zinc/11/22/25/1059112225.db2.gz BYJCSQSGOBORTL-BZPMIXESSA-N 1 3 315.288 4.126 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H](N)CC[C@H]1C ZINC001246818422 1059112233 /nfs/dbraw/zinc/11/22/33/1059112233.db2.gz BYJCSQSGOBORTL-BZPMIXESSA-N 1 3 315.288 4.126 20 0 DIADHO Fc1cccc([C@@H]2CCN([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)c1 ZINC001246833542 1059114545 /nfs/dbraw/zinc/11/45/45/1059114545.db2.gz LSCZYJSCTJCRMS-MJGOQNOKSA-N 1 3 316.464 4.070 20 0 DIADHO CC(C)[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](c3ccccc3)CC2)CCN1 ZINC001246843029 1059122799 /nfs/dbraw/zinc/12/27/99/1059122799.db2.gz DKZJPKFXMSKNRV-AABGKKOBSA-N 1 3 300.490 4.033 20 0 DIADHO CC(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)CC2)CCN1 ZINC001246843029 1059122804 /nfs/dbraw/zinc/12/28/04/1059122804.db2.gz DKZJPKFXMSKNRV-AABGKKOBSA-N 1 3 300.490 4.033 20 0 DIADHO CC(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](c3ccccc3)CC2)CCN1 ZINC001246843033 1059124005 /nfs/dbraw/zinc/12/40/05/1059124005.db2.gz DKZJPKFXMSKNRV-AQNXPRMDSA-N 1 3 300.490 4.033 20 0 DIADHO CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H](c3ccccc3)CC2)CCN1 ZINC001246843033 1059124022 /nfs/dbraw/zinc/12/40/22/1059124022.db2.gz DKZJPKFXMSKNRV-AQNXPRMDSA-N 1 3 300.490 4.033 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H]1CCN ZINC001246846614 1059129347 /nfs/dbraw/zinc/12/93/47/1059129347.db2.gz PDWSWCNPWZJMFA-OCCSQVGLSA-N 1 3 315.288 4.128 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H]1CCN ZINC001246846614 1059129349 /nfs/dbraw/zinc/12/93/49/1059129349.db2.gz PDWSWCNPWZJMFA-OCCSQVGLSA-N 1 3 315.288 4.128 20 0 DIADHO CC(C)(C)[C@H]1C[C@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246863106 1059137093 /nfs/dbraw/zinc/13/70/93/1059137093.db2.gz IZQNTDAOIAMFLQ-IPMKNSEASA-N 1 3 300.490 4.033 20 0 DIADHO CC(C)(C)[C@H]1C[C@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246863106 1059137117 /nfs/dbraw/zinc/13/71/17/1059137117.db2.gz IZQNTDAOIAMFLQ-IPMKNSEASA-N 1 3 300.490 4.033 20 0 DIADHO CC(C)[C@@H]1C[C@H](N2CCC(Sc3ccccc3)CC2)CC[NH2+]1 ZINC001246872771 1059143107 /nfs/dbraw/zinc/14/31/07/1059143107.db2.gz CKYNNWRUGLZTCG-APWZRJJASA-N 1 3 318.530 4.020 20 0 DIADHO CC1(C)CN([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)Cc2ccccc21 ZINC001246872652 1059143725 /nfs/dbraw/zinc/14/37/25/1059143725.db2.gz WXDOYUQCLAYRRE-CTNGQTDRSA-N 1 3 320.480 4.273 20 0 DIADHO C[C@H]1C[C@@H](N2[C@@H]3Cc4ccccc4[C@@]2(C)c2ccccc23)CC[NH2+]1 ZINC001246876883 1059146126 /nfs/dbraw/zinc/14/61/26/1059146126.db2.gz DBJDDGGAXTXZSC-FVFSHSICSA-N 1 3 318.464 4.003 20 0 DIADHO C[C@H]1C[C@@H]([N@@H+]2[C@@H]3Cc4ccccc4[C@@]2(C)c2ccccc23)CCN1 ZINC001246876883 1059146138 /nfs/dbraw/zinc/14/61/38/1059146138.db2.gz DBJDDGGAXTXZSC-FVFSHSICSA-N 1 3 318.464 4.003 20 0 DIADHO C[C@H]1C[C@@H]([N@H+]2[C@@H]3Cc4ccccc4[C@@]2(C)c2ccccc23)CCN1 ZINC001246876883 1059146148 /nfs/dbraw/zinc/14/61/48/1059146148.db2.gz DBJDDGGAXTXZSC-FVFSHSICSA-N 1 3 318.464 4.003 20 0 DIADHO CSc1ccccc1[C@@H]1CCCN1[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246890369 1059152950 /nfs/dbraw/zinc/15/29/50/1059152950.db2.gz UBVPQZSZOAXQIL-SZMVWBNQSA-N 1 3 318.530 4.322 20 0 DIADHO CSc1ccccc1[C@@H]1CCCN1[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246890354 1059155329 /nfs/dbraw/zinc/15/53/29/1059155329.db2.gz UBVPQZSZOAXQIL-JQHSSLGASA-N 1 3 318.530 4.322 20 0 DIADHO CSc1ccccc1[C@@H]1CCC[N@@H+]1[C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246889634 1059155450 /nfs/dbraw/zinc/15/54/50/1059155450.db2.gz RJEGRFJFJZFKKR-IVSAIRAKSA-N 1 3 304.503 4.074 20 0 DIADHO CSc1ccccc1[C@@H]1CCC[N@H+]1[C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246889634 1059155457 /nfs/dbraw/zinc/15/54/57/1059155457.db2.gz RJEGRFJFJZFKKR-IVSAIRAKSA-N 1 3 304.503 4.074 20 0 DIADHO CSc1ccccc1[C@@H]1CCCN1[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246889634 1059155472 /nfs/dbraw/zinc/15/54/72/1059155472.db2.gz RJEGRFJFJZFKKR-IVSAIRAKSA-N 1 3 304.503 4.074 20 0 DIADHO CSc1ccccc1[C@@H]1CCC[N@@H+]1[C@@H]1CCNC2(CCC2)C1 ZINC001246890229 1059156544 /nfs/dbraw/zinc/15/65/44/1059156544.db2.gz SOQXPUGPXDTBJI-WBVHZDCISA-N 1 3 316.514 4.220 20 0 DIADHO CSc1ccccc1[C@@H]1CCC[N@H+]1[C@@H]1CCNC2(CCC2)C1 ZINC001246890229 1059156559 /nfs/dbraw/zinc/15/65/59/1059156559.db2.gz SOQXPUGPXDTBJI-WBVHZDCISA-N 1 3 316.514 4.220 20 0 DIADHO CSc1ccccc1[C@@H]1CCCN1[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246890229 1059156573 /nfs/dbraw/zinc/15/65/73/1059156573.db2.gz SOQXPUGPXDTBJI-WBVHZDCISA-N 1 3 316.514 4.220 20 0 DIADHO Fc1cccc([C@H]2CCCN2[C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246900507 1059158216 /nfs/dbraw/zinc/15/82/16/1059158216.db2.gz RYWNWEGPHVZHCC-PCCBWWKXSA-N 1 3 324.443 4.456 20 0 DIADHO C[N@H+]([C@H]1CCNC2(CCCCC2)C1)C(C)(C)Cc1ccccc1 ZINC001246894291 1059158728 /nfs/dbraw/zinc/15/87/28/1059158728.db2.gz SUDNGZGHJARYOY-IBGZPJMESA-N 1 3 314.517 4.394 20 0 DIADHO C[N@@H+]([C@H]1CCNC2(CCCCC2)C1)C(C)(C)Cc1ccccc1 ZINC001246894291 1059158736 /nfs/dbraw/zinc/15/87/36/1059158736.db2.gz SUDNGZGHJARYOY-IBGZPJMESA-N 1 3 314.517 4.394 20 0 DIADHO Fc1cccc([C@H]2CCCN2[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246900508 1059164584 /nfs/dbraw/zinc/16/45/84/1059164584.db2.gz RYWNWEGPHVZHCC-PWRODBHTSA-N 1 3 324.443 4.456 20 0 DIADHO Fc1cccc([C@H]2CCCN2[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246900510 1059164733 /nfs/dbraw/zinc/16/47/33/1059164733.db2.gz RYWNWEGPHVZHCC-QHAWAJNXSA-N 1 3 324.443 4.456 20 0 DIADHO CCN(Cc1ccc(C)cc1)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246906657 1059167449 /nfs/dbraw/zinc/16/74/49/1059167449.db2.gz FUTJEJDBTCTZDC-IBGZPJMESA-N 1 3 300.490 4.272 20 0 DIADHO CC[N@H+](Cc1ccc(C)cc1)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246908755 1059172419 /nfs/dbraw/zinc/17/24/19/1059172419.db2.gz MIRDYSRYBDUMLN-FGZHOGPDSA-N 1 3 322.496 4.180 20 0 DIADHO CC[N@@H+](Cc1ccc(C)cc1)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246908755 1059172425 /nfs/dbraw/zinc/17/24/25/1059172425.db2.gz MIRDYSRYBDUMLN-FGZHOGPDSA-N 1 3 322.496 4.180 20 0 DIADHO CCN(Cc1ccc(C)cc1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246908755 1059172430 /nfs/dbraw/zinc/17/24/30/1059172430.db2.gz MIRDYSRYBDUMLN-FGZHOGPDSA-N 1 3 322.496 4.180 20 0 DIADHO C[C@H](CSc1ccc(Cl)cc1)[N@H+](C)[C@H]1CCCC[C@@H]1N ZINC001246916459 1059176086 /nfs/dbraw/zinc/17/60/86/1059176086.db2.gz HYXFHMPPGPXWFP-KCXAZCMYSA-N 1 3 312.910 4.022 20 0 DIADHO C[C@H](CSc1ccc(Cl)cc1)[N@@H+](C)[C@H]1CCCC[C@@H]1N ZINC001246916459 1059176096 /nfs/dbraw/zinc/17/60/96/1059176096.db2.gz HYXFHMPPGPXWFP-KCXAZCMYSA-N 1 3 312.910 4.022 20 0 DIADHO CSC(C)(C)C[C@@H](C)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246934938 1059182811 /nfs/dbraw/zinc/18/28/11/1059182811.db2.gz DCXXALPSLYGNLR-HZPDHXFCSA-N 1 3 312.567 4.151 20 0 DIADHO CSC(C)(C)C[C@@H](C)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246934938 1059182818 /nfs/dbraw/zinc/18/28/18/1059182818.db2.gz DCXXALPSLYGNLR-HZPDHXFCSA-N 1 3 312.567 4.151 20 0 DIADHO CNC[C@H]1CCC[N@@H+]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246941105 1059188032 /nfs/dbraw/zinc/18/80/32/1059188032.db2.gz YPMWKXHLMIYIJU-VMWRSERWSA-N 1 3 306.881 4.050 20 0 DIADHO CNC[C@H]1CCC[N@H+]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246941105 1059188045 /nfs/dbraw/zinc/18/80/45/1059188045.db2.gz YPMWKXHLMIYIJU-VMWRSERWSA-N 1 3 306.881 4.050 20 0 DIADHO CCCC(CCC)[N@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001246943691 1059190352 /nfs/dbraw/zinc/19/03/52/1059190352.db2.gz RXGBNJGZJDLKMV-UHFFFAOYSA-N 1 3 306.469 4.349 20 0 DIADHO CCCC(CCC)[N@@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001246943691 1059190370 /nfs/dbraw/zinc/19/03/70/1059190370.db2.gz RXGBNJGZJDLKMV-UHFFFAOYSA-N 1 3 306.469 4.349 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H]([NH+]2CCC(C)(c3ccccc3)CC2)CCN1 ZINC001246945876 1059191326 /nfs/dbraw/zinc/19/13/26/1059191326.db2.gz MICNSRDGEUYKJD-RBUKOAKNSA-N 1 3 314.517 4.207 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH+]2CCC(C)(c3ccccc3)CC2)CCN1 ZINC001246946928 1059196253 /nfs/dbraw/zinc/19/62/53/1059196253.db2.gz SRQGPEOAEHJUCE-UXHICEINSA-N 1 3 314.517 4.351 20 0 DIADHO CCCC[C@@H]1C[C@@H](N2CCC(C)(c3ccccc3)CC2)CC[NH2+]1 ZINC001246946928 1059196263 /nfs/dbraw/zinc/19/62/63/1059196263.db2.gz SRQGPEOAEHJUCE-UXHICEINSA-N 1 3 314.517 4.351 20 0 DIADHO Cc1cc(F)cc(C[N@H+](C2CCNCC2)C2CCCCCC2)c1 ZINC001246952813 1059197951 /nfs/dbraw/zinc/19/79/51/1059197951.db2.gz WTXFAYCXHQSVMA-UHFFFAOYSA-N 1 3 318.480 4.411 20 0 DIADHO Cc1cc(F)cc(C[N@@H+](C2CCNCC2)C2CCCCCC2)c1 ZINC001246952813 1059197963 /nfs/dbraw/zinc/19/79/63/1059197963.db2.gz WTXFAYCXHQSVMA-UHFFFAOYSA-N 1 3 318.480 4.411 20 0 DIADHO CCCC(CCC)[N@H+](Cc1ccc(F)c(F)c1)C1CCNCC1 ZINC001246953475 1059198693 /nfs/dbraw/zinc/19/86/93/1059198693.db2.gz CQGFERHWFFCARU-UHFFFAOYSA-N 1 3 324.459 4.488 20 0 DIADHO CCCC(CCC)[N@@H+](Cc1ccc(F)c(F)c1)C1CCNCC1 ZINC001246953475 1059198699 /nfs/dbraw/zinc/19/86/99/1059198699.db2.gz CQGFERHWFFCARU-UHFFFAOYSA-N 1 3 324.459 4.488 20 0 DIADHO CCCC(CCC)N(Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001246953475 1059198704 /nfs/dbraw/zinc/19/87/04/1059198704.db2.gz CQGFERHWFFCARU-UHFFFAOYSA-N 1 3 324.459 4.488 20 0 DIADHO CC(C)CC(CC(C)C)N(Cc1ccccn1)C1CC[NH2+]CC1 ZINC001246955760 1059202717 /nfs/dbraw/zinc/20/27/17/1059202717.db2.gz SWZMQLVXCGJZJL-UHFFFAOYSA-N 1 3 317.521 4.096 20 0 DIADHO CC(C)CC(CC(C)C)[N@H+](Cc1ccccn1)C1CCNCC1 ZINC001246955760 1059202729 /nfs/dbraw/zinc/20/27/29/1059202729.db2.gz SWZMQLVXCGJZJL-UHFFFAOYSA-N 1 3 317.521 4.096 20 0 DIADHO CC(C)CC(CC(C)C)[N@@H+](Cc1ccccn1)C1CCNCC1 ZINC001246955760 1059202753 /nfs/dbraw/zinc/20/27/53/1059202753.db2.gz SWZMQLVXCGJZJL-UHFFFAOYSA-N 1 3 317.521 4.096 20 0 DIADHO CC[C@@H]1CC[C@@H]([N@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246961466 1059205461 /nfs/dbraw/zinc/20/54/61/1059205461.db2.gz FOCICISDCREXBI-OXQOHEQNSA-N 1 3 318.480 4.267 20 0 DIADHO CC[C@@H]1CC[C@@H]([N@@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246961466 1059205479 /nfs/dbraw/zinc/20/54/79/1059205479.db2.gz FOCICISDCREXBI-OXQOHEQNSA-N 1 3 318.480 4.267 20 0 DIADHO CC[C@@H]1CC[C@H]([N@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246961467 1059207108 /nfs/dbraw/zinc/20/71/08/1059207108.db2.gz FOCICISDCREXBI-UZLBHIALSA-N 1 3 318.480 4.267 20 0 DIADHO CC[C@@H]1CC[C@H]([N@@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246961467 1059207124 /nfs/dbraw/zinc/20/71/24/1059207124.db2.gz FOCICISDCREXBI-UZLBHIALSA-N 1 3 318.480 4.267 20 0 DIADHO Cc1cc(F)ccc1C[N@H+](C1CCNCC1)[C@@H]1CCC[C@@H](C)C1 ZINC001246961254 1059207176 /nfs/dbraw/zinc/20/71/76/1059207176.db2.gz PLJQZTXICMDUFM-FOIQADDNSA-N 1 3 318.480 4.267 20 0 DIADHO Cc1cc(F)ccc1C[N@@H+](C1CCNCC1)[C@@H]1CCC[C@@H](C)C1 ZINC001246961254 1059207192 /nfs/dbraw/zinc/20/71/92/1059207192.db2.gz PLJQZTXICMDUFM-FOIQADDNSA-N 1 3 318.480 4.267 20 0 DIADHO CC(C)(C)[C@H]1C[C@H](N(Cc2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246962591 1059208334 /nfs/dbraw/zinc/20/83/34/1059208334.db2.gz KEHSIPCXVFBFNP-RTBURBONSA-N 1 3 300.490 4.208 20 0 DIADHO Cc1cc(F)ccc1C[N@H+](C1CCNCC1)[C@H]1CCC[C@@H](C)C1 ZINC001246961257 1059208695 /nfs/dbraw/zinc/20/86/95/1059208695.db2.gz PLJQZTXICMDUFM-QRWLVFNGSA-N 1 3 318.480 4.267 20 0 DIADHO Cc1cc(F)ccc1C[N@@H+](C1CCNCC1)[C@H]1CCC[C@@H](C)C1 ZINC001246961257 1059208716 /nfs/dbraw/zinc/20/87/16/1059208716.db2.gz PLJQZTXICMDUFM-QRWLVFNGSA-N 1 3 318.480 4.267 20 0 DIADHO Cc1ccc(F)cc1C[N@H+](C1CCCCC1)C1CCNCC1 ZINC001246967008 1059211521 /nfs/dbraw/zinc/21/15/21/1059211521.db2.gz ZLHIBBFMXYYCKJ-UHFFFAOYSA-N 1 3 304.453 4.021 20 0 DIADHO Cc1ccc(F)cc1C[N@@H+](C1CCCCC1)C1CCNCC1 ZINC001246967008 1059211537 /nfs/dbraw/zinc/21/15/37/1059211537.db2.gz ZLHIBBFMXYYCKJ-UHFFFAOYSA-N 1 3 304.453 4.021 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[N@H+](CCC)C1C[C@@H]2C=C[C@H](C1)N2 ZINC001246980054 1059220561 /nfs/dbraw/zinc/22/05/61/1059220561.db2.gz QNYZTYCTRNFJDI-HWPVKAJDSA-N 1 3 312.501 4.169 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)C1C[C@@H]2C=C[C@H](C1)N2 ZINC001246980054 1059220578 /nfs/dbraw/zinc/22/05/78/1059220578.db2.gz QNYZTYCTRNFJDI-HWPVKAJDSA-N 1 3 312.501 4.169 20 0 DIADHO c1ccc(CC[C@@H]2CCC[N@@H+]([C@H]3CCNC4(CCC4)C3)C2)cc1 ZINC001246980205 1059223361 /nfs/dbraw/zinc/22/33/61/1059223361.db2.gz QFVVEIHJJBNYOW-PMACEKPBSA-N 1 3 312.501 4.006 20 0 DIADHO c1ccc(CC[C@@H]2CCC[N@H+]([C@H]3CCNC4(CCC4)C3)C2)cc1 ZINC001246980205 1059223377 /nfs/dbraw/zinc/22/33/77/1059223377.db2.gz QFVVEIHJJBNYOW-PMACEKPBSA-N 1 3 312.501 4.006 20 0 DIADHO c1ccc(CC[C@H]2CCC[N@@H+]([C@@H]3CCNC4(CCC4)C3)C2)cc1 ZINC001246980208 1059224372 /nfs/dbraw/zinc/22/43/72/1059224372.db2.gz QFVVEIHJJBNYOW-WOJBJXKFSA-N 1 3 312.501 4.006 20 0 DIADHO c1ccc(CC[C@H]2CCC[N@H+]([C@@H]3CCNC4(CCC4)C3)C2)cc1 ZINC001246980208 1059224383 /nfs/dbraw/zinc/22/43/83/1059224383.db2.gz QFVVEIHJJBNYOW-WOJBJXKFSA-N 1 3 312.501 4.006 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CCN1 ZINC001247006239 1059234599 /nfs/dbraw/zinc/23/45/99/1059234599.db2.gz UTIDLTSYUKHMNV-VAMGGRTRSA-N 1 3 318.480 4.143 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CCN1 ZINC001247006239 1059234617 /nfs/dbraw/zinc/23/46/17/1059234617.db2.gz UTIDLTSYUKHMNV-VAMGGRTRSA-N 1 3 318.480 4.143 20 0 DIADHO CN1CCCC[C@H]1CC[N@H+](C)CCc1ccc2ccccc2c1 ZINC001559567565 1059393104 /nfs/dbraw/zinc/39/31/04/1059393104.db2.gz FRVWYACUWGLMHL-NRFANRHFSA-N 1 3 310.485 4.189 20 0 DIADHO CN1CCCC[C@H]1CC[N@@H+](C)CCc1ccc2ccccc2c1 ZINC001559567565 1059393129 /nfs/dbraw/zinc/39/31/29/1059393129.db2.gz FRVWYACUWGLMHL-NRFANRHFSA-N 1 3 310.485 4.189 20 0 DIADHO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCCN2CCCCC2)o1 ZINC001559568203 1059397971 /nfs/dbraw/zinc/39/79/71/1059397971.db2.gz RXRCPWMVKVFXCN-PKOBYXMFSA-N 1 3 318.505 4.491 20 0 DIADHO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCCN2CCCCC2)o1 ZINC001559568203 1059397993 /nfs/dbraw/zinc/39/79/93/1059397993.db2.gz RXRCPWMVKVFXCN-PKOBYXMFSA-N 1 3 318.505 4.491 20 0 DIADHO CCCN(Cc1ccc(-c2ccccc2)s1)C1CC[NH2+]CC1 ZINC000469993990 1060259635 /nfs/dbraw/zinc/25/96/35/1060259635.db2.gz SBEXKJYRRPIPHX-UHFFFAOYSA-N 1 3 314.498 4.379 20 0 DIADHO CCC[N@H+](Cc1ccc(-c2ccccc2)s1)C1CCNCC1 ZINC000469993990 1060259652 /nfs/dbraw/zinc/25/96/52/1060259652.db2.gz SBEXKJYRRPIPHX-UHFFFAOYSA-N 1 3 314.498 4.379 20 0 DIADHO CCC[N@@H+](Cc1ccc(-c2ccccc2)s1)C1CCNCC1 ZINC000469993990 1060259663 /nfs/dbraw/zinc/25/96/63/1060259663.db2.gz SBEXKJYRRPIPHX-UHFFFAOYSA-N 1 3 314.498 4.379 20 0 DIADHO CCCc1ccc(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001560514125 1060313314 /nfs/dbraw/zinc/31/33/14/1060313314.db2.gz JTUCCNVNHYVLCR-YADHBBJMSA-N 1 3 322.496 4.074 20 0 DIADHO CCCc1ccc(CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001560514125 1060313325 /nfs/dbraw/zinc/31/33/25/1060313325.db2.gz JTUCCNVNHYVLCR-YADHBBJMSA-N 1 3 322.496 4.074 20 0 DIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(F)c3ccccc23)C[C@@H]1C ZINC001560636977 1060450752 /nfs/dbraw/zinc/45/07/52/1060450752.db2.gz REZVSIVURMFBNB-DOTOQJQBSA-N 1 3 314.448 4.284 20 0 DIADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)c3ccccc23)C[C@@H]1C ZINC001560636977 1060450759 /nfs/dbraw/zinc/45/07/59/1060450759.db2.gz REZVSIVURMFBNB-DOTOQJQBSA-N 1 3 314.448 4.284 20 0 DIADHO C[C@H](Cc1ccc(F)cc1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001560791548 1060651246 /nfs/dbraw/zinc/65/12/46/1060651246.db2.gz LUZJQUISLZIYPM-UZLBHIALSA-N 1 3 318.480 4.143 20 0 DIADHO C[C@H](Cc1ccc(F)cc1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001560791548 1060651250 /nfs/dbraw/zinc/65/12/50/1060651250.db2.gz LUZJQUISLZIYPM-UZLBHIALSA-N 1 3 318.480 4.143 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001560791545 1060651650 /nfs/dbraw/zinc/65/16/50/1060651650.db2.gz LUZJQUISLZIYPM-JXFKEZNVSA-N 1 3 318.480 4.143 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001560791545 1060651657 /nfs/dbraw/zinc/65/16/57/1060651657.db2.gz LUZJQUISLZIYPM-JXFKEZNVSA-N 1 3 318.480 4.143 20 0 DIADHO CCN(CC)CC[C@H]([NH2+]C1CC(C(F)F)C1)c1ccccc1 ZINC001561049498 1060898095 /nfs/dbraw/zinc/89/80/95/1060898095.db2.gz XRRQSVNAURREEX-JCYILVPMSA-N 1 3 310.432 4.093 20 0 DIADHO CC(C)C([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(C)C ZINC001561048810 1060898753 /nfs/dbraw/zinc/89/87/53/1060898753.db2.gz FPFXKSDGUDEPOB-ZCNNSNEGSA-N 1 3 314.517 4.310 20 0 DIADHO CN1CCCC[C@H]1CC[N@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC001473191009 1060945671 /nfs/dbraw/zinc/94/56/71/1060945671.db2.gz CYWKTMRBVXNBPW-PKOBYXMFSA-N 1 3 304.453 4.009 20 0 DIADHO CN1CCCC[C@H]1CC[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC001473191009 1060945691 /nfs/dbraw/zinc/94/56/91/1060945691.db2.gz CYWKTMRBVXNBPW-PKOBYXMFSA-N 1 3 304.453 4.009 20 0 DIADHO CCc1cccc2cc(C[N@H+](CC)CCCN3CCCC3)oc21 ZINC001462198229 1061019702 /nfs/dbraw/zinc/01/97/02/1061019702.db2.gz KDAATIHFMGAYQC-UHFFFAOYSA-N 1 3 314.473 4.303 20 0 DIADHO CCc1cccc2cc(C[N@@H+](CC)CCCN3CCCC3)oc21 ZINC001462198229 1061019713 /nfs/dbraw/zinc/01/97/13/1061019713.db2.gz KDAATIHFMGAYQC-UHFFFAOYSA-N 1 3 314.473 4.303 20 0 DIADHO CCC[C@H](Cc1ccccc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC001462205426 1061026456 /nfs/dbraw/zinc/02/64/56/1061026456.db2.gz XKDDOVMJHZAORA-LJQANCHMSA-N 1 3 302.506 4.109 20 0 DIADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)CCc1c[nH]c2ccccc12 ZINC001462673191 1061330069 /nfs/dbraw/zinc/33/00/69/1061330069.db2.gz KVFHQAIUUXRIJV-IRXDYDNUSA-N 1 3 315.505 4.199 20 0 DIADHO c1ccc(C2([NH+]3CCCC3)CCN(CC3CCCC3)CC2)cc1 ZINC001473838198 1061428333 /nfs/dbraw/zinc/42/83/33/1061428333.db2.gz XKZCDUXKWYKTNE-UHFFFAOYSA-N 1 3 312.501 4.264 20 0 DIADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(C3CC3)c(C3CC3)c2)C1 ZINC001473964617 1061507313 /nfs/dbraw/zinc/50/73/13/1061507313.db2.gz GVZDCWWEJOPUKQ-QGZVFWFLSA-N 1 3 312.501 4.263 20 0 DIADHO C[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001473968585 1061511452 /nfs/dbraw/zinc/51/14/52/1061511452.db2.gz AIBAPKUECRWIMS-MJGOQNOKSA-N 1 3 306.538 4.447 20 0 DIADHO CCCc1cccc(CNCc2cccc(C[N@H+](C)CC)c2)c1 ZINC001473988151 1061532671 /nfs/dbraw/zinc/53/26/71/1061532671.db2.gz DKVSUMFUOSSZQG-UHFFFAOYSA-N 1 3 310.485 4.381 20 0 DIADHO CCCc1cccc(CNCc2cccc(C[N@@H+](C)CC)c2)c1 ZINC001473988151 1061532690 /nfs/dbraw/zinc/53/26/90/1061532690.db2.gz DKVSUMFUOSSZQG-UHFFFAOYSA-N 1 3 310.485 4.381 20 0 DIADHO Cc1ccccc1-c1ccccc1CNC[C@@H]1CCCC[N@@H+](C)C1 ZINC001474209896 1061765321 /nfs/dbraw/zinc/76/53/21/1061765321.db2.gz KIXHKAMWQJRZLQ-IBGZPJMESA-N 1 3 322.496 4.484 20 0 DIADHO Cc1ccccc1-c1ccccc1CNC[C@@H]1CCCC[N@H+](C)C1 ZINC001474209896 1061765340 /nfs/dbraw/zinc/76/53/40/1061765340.db2.gz KIXHKAMWQJRZLQ-IBGZPJMESA-N 1 3 322.496 4.484 20 0 DIADHO Cc1ccccc1-c1ccccc1C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC001474209896 1061765359 /nfs/dbraw/zinc/76/53/59/1061765359.db2.gz KIXHKAMWQJRZLQ-IBGZPJMESA-N 1 3 322.496 4.484 20 0 DIADHO CCCN1CCC([N@H+](C)C/C=C/c2c(C)cc(C)cc2C)CC1 ZINC001474364157 1061991094 /nfs/dbraw/zinc/99/10/94/1061991094.db2.gz YYRNJNNJOOVRHD-BQYQJAHWSA-N 1 3 314.517 4.431 20 0 DIADHO CCCN1CCC([N@@H+](C)C/C=C/c2c(C)cc(C)cc2C)CC1 ZINC001474364157 1061991106 /nfs/dbraw/zinc/99/11/06/1061991106.db2.gz YYRNJNNJOOVRHD-BQYQJAHWSA-N 1 3 314.517 4.431 20 0 DIADHO C[C@H](CN1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC001474371520 1062012610 /nfs/dbraw/zinc/01/26/10/1062012610.db2.gz UGMRHWRLYXWOPV-WOJBJXKFSA-N 1 3 314.517 4.378 20 0 DIADHO C[C@@H](CN1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC001474371519 1062012732 /nfs/dbraw/zinc/01/27/32/1062012732.db2.gz UGMRHWRLYXWOPV-VQTJNVASSA-N 1 3 314.517 4.378 20 0 DIADHO C[C@H](CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC001474371517 1062013342 /nfs/dbraw/zinc/01/33/42/1062013342.db2.gz UGMRHWRLYXWOPV-UXHICEINSA-N 1 3 314.517 4.378 20 0 DIADHO CC[NH+](CC)CC1CCN(Cc2ccc(C)cc2Cl)CC1 ZINC001459317328 1062084377 /nfs/dbraw/zinc/08/43/77/1062084377.db2.gz ZXFKVRHBMRQHBD-UHFFFAOYSA-N 1 3 308.897 4.202 20 0 DIADHO CC[C@H](C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)c1ccccc1 ZINC001474436102 1062112648 /nfs/dbraw/zinc/11/26/48/1062112648.db2.gz WCCKPJKMGVDPNZ-GGPKGHCWSA-N 1 3 314.517 4.423 20 0 DIADHO CCN(Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254530971 1062165102 /nfs/dbraw/zinc/16/51/02/1062165102.db2.gz IPUOQCHIKYLQDY-INIZCTEOSA-N 1 3 314.395 4.012 20 0 DIADHO CCN(Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254530971 1062165118 /nfs/dbraw/zinc/16/51/18/1062165118.db2.gz IPUOQCHIKYLQDY-INIZCTEOSA-N 1 3 314.395 4.012 20 0 DIADHO Cc1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1Cl ZINC001474500907 1062181179 /nfs/dbraw/zinc/18/11/79/1062181179.db2.gz QYJFRIOKRQISOW-UHFFFAOYSA-N 1 3 316.876 4.342 20 0 DIADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(C3CCCC3)cc2)C1 ZINC001474506045 1062187767 /nfs/dbraw/zinc/18/77/67/1062187767.db2.gz ZPBRPNKUARFRNG-RTWAWAEBSA-N 1 3 312.501 4.260 20 0 DIADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(C3CCCC3)cc2)C1 ZINC001474506045 1062187771 /nfs/dbraw/zinc/18/77/71/1062187771.db2.gz ZPBRPNKUARFRNG-RTWAWAEBSA-N 1 3 312.501 4.260 20 0 DIADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(C3CCCC3)cc2)C1 ZINC001474506045 1062187784 /nfs/dbraw/zinc/18/77/84/1062187784.db2.gz ZPBRPNKUARFRNG-RTWAWAEBSA-N 1 3 312.501 4.260 20 0 DIADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(C3CCCC3)cc2)C1 ZINC001474506045 1062187789 /nfs/dbraw/zinc/18/77/89/1062187789.db2.gz ZPBRPNKUARFRNG-RTWAWAEBSA-N 1 3 312.501 4.260 20 0 DIADHO CN(C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)C1CCC1 ZINC001459581616 1062226481 /nfs/dbraw/zinc/22/64/81/1062226481.db2.gz UGWGCIPEEPWAMP-OAQYLSRUSA-N 1 3 322.496 4.387 20 0 DIADHO CN(C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)C1CCC1 ZINC001459581616 1062226506 /nfs/dbraw/zinc/22/65/06/1062226506.db2.gz UGWGCIPEEPWAMP-OAQYLSRUSA-N 1 3 322.496 4.387 20 0 DIADHO C[C@H]1C[C@H](CCN2CC[C@@H](C[N@H+](C)CC3CC3)C2)C[C@@H](C)C1 ZINC001459625535 1062262964 /nfs/dbraw/zinc/26/29/64/1062262964.db2.gz TVWVEUZDBHMPHB-CUDHKJQZSA-N 1 3 306.538 4.113 20 0 DIADHO C[C@H]1C[C@H](CCN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C[C@@H](C)C1 ZINC001459625535 1062262984 /nfs/dbraw/zinc/26/29/84/1062262984.db2.gz TVWVEUZDBHMPHB-CUDHKJQZSA-N 1 3 306.538 4.113 20 0 DIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H](C3CC3)C3CCC3)CC2)C1 ZINC001474564708 1062267549 /nfs/dbraw/zinc/26/75/49/1062267549.db2.gz MMUHAPYDSFLKHV-CDHQVMDDSA-N 1 3 304.522 4.198 20 0 DIADHO CCN(CC)CCC[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC001459761066 1062370575 /nfs/dbraw/zinc/37/05/75/1062370575.db2.gz AABJOBSWTIQJLM-UHFFFAOYSA-N 1 3 320.496 4.345 20 0 DIADHO CCN(CC)CCC[N@@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC001459761066 1062370598 /nfs/dbraw/zinc/37/05/98/1062370598.db2.gz AABJOBSWTIQJLM-UHFFFAOYSA-N 1 3 320.496 4.345 20 0 DIADHO C[C@H](CC[NH2+][C@H]1CCCC[C@H]1c1ccccc1Cl)N(C)C ZINC001474648682 1062375598 /nfs/dbraw/zinc/37/55/98/1062375598.db2.gz LAAFXXAALMVYFV-HFTRVMKXSA-N 1 3 308.897 4.296 20 0 DIADHO C[C@@H](CC[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1)N(C)C ZINC001474649067 1062377078 /nfs/dbraw/zinc/37/70/78/1062377078.db2.gz YIYNDUFGOKOUKL-UGKGYDQZSA-N 1 3 324.512 4.160 20 0 DIADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC(C)(C)C(C)(F)F)CC2)C1 ZINC001474669276 1062397898 /nfs/dbraw/zinc/39/78/98/1062397898.db2.gz XYJOYSPYVDBNHU-ZBFHGGJFSA-N 1 3 316.480 4.301 20 0 DIADHO FC(F)[C@@H]1CCCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255406118 1062438661 /nfs/dbraw/zinc/43/86/61/1062438661.db2.gz PCSXIUBRWDOTAV-MSOLQXFVSA-N 1 3 322.443 4.018 20 0 DIADHO FC(F)[C@@H]1CCCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255406118 1062438667 /nfs/dbraw/zinc/43/86/67/1062438667.db2.gz PCSXIUBRWDOTAV-MSOLQXFVSA-N 1 3 322.443 4.018 20 0 DIADHO c1ccc(CN2CCC[C@H]([NH+]3CC4CCC(CC4)C3)CC2)cc1 ZINC001255409529 1062446592 /nfs/dbraw/zinc/44/65/92/1062446592.db2.gz ZSVONQZJRVUFEI-CBNMVNINSA-N 1 3 312.501 4.163 20 0 DIADHO C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1cccc(Cl)c1F ZINC001255664255 1062507533 /nfs/dbraw/zinc/50/75/33/1062507533.db2.gz ZJGSXKRZQWYIOI-RLAWYHOSSA-N 1 3 310.844 4.145 20 0 DIADHO CC(C)CN1CCC([NH2+][C@@H](C)CSc2ccc(F)cc2)CC1 ZINC001255735696 1062558485 /nfs/dbraw/zinc/55/84/85/1062558485.db2.gz LSAHUNYHGGBASC-HNNXBMFYSA-N 1 3 324.509 4.016 20 0 DIADHO CC(C)C[NH+]1CCC(N[C@@H](C)CSc2ccc(F)cc2)CC1 ZINC001255735696 1062558500 /nfs/dbraw/zinc/55/85/00/1062558500.db2.gz LSAHUNYHGGBASC-HNNXBMFYSA-N 1 3 324.509 4.016 20 0 DIADHO C[C@H](Cc1ccccc1F)[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001255851465 1062630472 /nfs/dbraw/zinc/63/04/72/1062630472.db2.gz OYLMPLXLZZREKL-IEBWSBKVSA-N 1 3 318.480 4.097 20 0 DIADHO C[C@H](Cc1ccccc1F)[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001255851465 1062630486 /nfs/dbraw/zinc/63/04/86/1062630486.db2.gz OYLMPLXLZZREKL-IEBWSBKVSA-N 1 3 318.480 4.097 20 0 DIADHO C[C@H](Cc1ccc(F)cc1)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001255855454 1062635738 /nfs/dbraw/zinc/63/57/38/1062635738.db2.gz BEYFQFNMNPNWJP-UZLBHIALSA-N 1 3 314.448 4.039 20 0 DIADHO C[C@H](Cc1ccc(F)cc1)[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001255872369 1062646854 /nfs/dbraw/zinc/64/68/54/1062646854.db2.gz IIQJPGWVBFTBGY-XLIONFOSSA-N 1 3 318.480 4.097 20 0 DIADHO C[C@H](Cc1ccc(F)cc1)[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001255872369 1062646869 /nfs/dbraw/zinc/64/68/69/1062646869.db2.gz IIQJPGWVBFTBGY-XLIONFOSSA-N 1 3 318.480 4.097 20 0 DIADHO C[C@H](Cc1ccc(F)cc1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001255872369 1062646874 /nfs/dbraw/zinc/64/68/74/1062646874.db2.gz IIQJPGWVBFTBGY-XLIONFOSSA-N 1 3 318.480 4.097 20 0 DIADHO CCN(CC)CC[C@@H](C)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC001255949573 1062670037 /nfs/dbraw/zinc/67/00/37/1062670037.db2.gz YRGKEUSRDNUIIU-WLYUNCDWSA-N 1 3 308.432 4.065 20 0 DIADHO CN(C1CC1)C1CC[NH+]([C@@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001256121327 1062720929 /nfs/dbraw/zinc/72/09/29/1062720929.db2.gz PPZPQOZJMDWHFA-GHTZIAJQSA-N 1 3 312.501 4.271 20 0 DIADHO C[N@H+](C1CC1)C1CCN([C@@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001256121327 1062720950 /nfs/dbraw/zinc/72/09/50/1062720950.db2.gz PPZPQOZJMDWHFA-GHTZIAJQSA-N 1 3 312.501 4.271 20 0 DIADHO C[N@@H+](C1CC1)C1CCN([C@@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC001256121327 1062720969 /nfs/dbraw/zinc/72/09/69/1062720969.db2.gz PPZPQOZJMDWHFA-GHTZIAJQSA-N 1 3 312.501 4.271 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@@H](c2cncc(Cl)c2)C2CC2)CC1 ZINC001256566554 1062888817 /nfs/dbraw/zinc/88/88/17/1062888817.db2.gz IXDIMMAYXZPABZ-QGZVFWFLSA-N 1 3 321.896 4.039 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@H](c2cccc(F)c2)C2CC2)CC1 ZINC001256565909 1062889901 /nfs/dbraw/zinc/88/99/01/1062889901.db2.gz BXKURJSSNQHMHS-SFHVURJKSA-N 1 3 304.453 4.129 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@H](c2cncc(Cl)c2)C2CC2)CC1 ZINC001256566552 1062890134 /nfs/dbraw/zinc/89/01/34/1062890134.db2.gz IXDIMMAYXZPABZ-KRWDZBQOSA-N 1 3 321.896 4.039 20 0 DIADHO CC(C)(C)N1CCC([N@@H+]2Cc3ccccc3C(C)(C)C2)CC1 ZINC001256574456 1062899089 /nfs/dbraw/zinc/89/90/89/1062899089.db2.gz ADZCTDIMJGEDSK-UHFFFAOYSA-N 1 3 300.490 4.043 20 0 DIADHO CC(C)(C)N1CCC([N@H+]2Cc3ccccc3C(C)(C)C2)CC1 ZINC001256574456 1062899106 /nfs/dbraw/zinc/89/91/06/1062899106.db2.gz ADZCTDIMJGEDSK-UHFFFAOYSA-N 1 3 300.490 4.043 20 0 DIADHO c1cc2ccc(CNC3CC[NH+](Cc4ccccc4)CC3)cc2o1 ZINC001256601075 1062908371 /nfs/dbraw/zinc/90/83/71/1062908371.db2.gz MCTBGZOKFCSTAM-UHFFFAOYSA-N 1 3 320.436 4.187 20 0 DIADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@H](c2ccc(F)c(F)c2)C1(C)C ZINC001460722138 1063012500 /nfs/dbraw/zinc/01/25/00/1063012500.db2.gz VPGDPIGWLHDBIS-HZPDHXFCSA-N 1 3 322.443 4.017 20 0 DIADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@H](c2ccc(F)c(F)c2)C1(C)C ZINC001460722138 1063012519 /nfs/dbraw/zinc/01/25/19/1063012519.db2.gz VPGDPIGWLHDBIS-HZPDHXFCSA-N 1 3 322.443 4.017 20 0 DIADHO C[N@@H+]1CCC[C@H]1CCN1CC[C@H](c2ccc(F)c(F)c2)C1(C)C ZINC001460722142 1063014221 /nfs/dbraw/zinc/01/42/21/1063014221.db2.gz VPGDPIGWLHDBIS-JKSUJKDBSA-N 1 3 322.443 4.017 20 0 DIADHO C[N@H+]1CCC[C@H]1CCN1CC[C@H](c2ccc(F)c(F)c2)C1(C)C ZINC001460722142 1063014237 /nfs/dbraw/zinc/01/42/37/1063014237.db2.gz VPGDPIGWLHDBIS-JKSUJKDBSA-N 1 3 322.443 4.017 20 0 DIADHO C[N@@H+]1CCC[C@H]1CCN1CC[C@@H](c2ccc(F)c(F)c2)C1(C)C ZINC001460722135 1063015855 /nfs/dbraw/zinc/01/58/55/1063015855.db2.gz VPGDPIGWLHDBIS-HOTGVXAUSA-N 1 3 322.443 4.017 20 0 DIADHO C[N@H+]1CCC[C@H]1CCN1CC[C@@H](c2ccc(F)c(F)c2)C1(C)C ZINC001460722135 1063015873 /nfs/dbraw/zinc/01/58/73/1063015873.db2.gz VPGDPIGWLHDBIS-HOTGVXAUSA-N 1 3 322.443 4.017 20 0 DIADHO CCCCc1ccc(C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)s1 ZINC001278988876 1063096596 /nfs/dbraw/zinc/09/65/96/1063096596.db2.gz ICCBDORTGGLKRK-SFHVURJKSA-N 1 3 306.519 4.008 20 0 DIADHO CCCCc1ccc(C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)s1 ZINC001278988876 1063096620 /nfs/dbraw/zinc/09/66/20/1063096620.db2.gz ICCBDORTGGLKRK-SFHVURJKSA-N 1 3 306.519 4.008 20 0 DIADHO CC(C)[NH+]1CCC(N2CCC(c3cccc(Cl)c3)CC2)CC1 ZINC001257215389 1063142944 /nfs/dbraw/zinc/14/29/44/1063142944.db2.gz VFRAMYMVMUXHSH-UHFFFAOYSA-N 1 3 320.908 4.392 20 0 DIADHO CC(C)[NH+]1CCC(N[C@@H](CC2CCC2)c2ccccc2)CC1 ZINC001257213407 1063144073 /nfs/dbraw/zinc/14/40/73/1063144073.db2.gz MZSVLCJROLQHSK-FQEVSTJZSA-N 1 3 300.490 4.380 20 0 DIADHO C[C@H](C[NH2+]CCCN1CCCC1)Cc1ccc(C(C)(C)C)cc1 ZINC001461005701 1063179816 /nfs/dbraw/zinc/17/98/16/1063179816.db2.gz PFVRNTLYOASGJT-SFHVURJKSA-N 1 3 316.533 4.238 20 0 DIADHO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCCN1CCCCC1 ZINC001461003751 1063181444 /nfs/dbraw/zinc/18/14/44/1063181444.db2.gz BRQNHYKMLWEPOY-JQIJEIRASA-N 1 3 306.881 4.209 20 0 DIADHO CCC[C@H](C)N1CCC([NH3+])(c2ccccc2C(F)(F)F)CC1 ZINC001257310975 1063197339 /nfs/dbraw/zinc/19/73/39/1063197339.db2.gz HFKPHQKKVSJAOW-ZDUSSCGKSA-N 1 3 314.395 4.144 20 0 DIADHO CCC[C@@H](C)N1CCC([NH3+])(c2cccc(C(F)(F)F)c2)CC1 ZINC001257313119 1063199973 /nfs/dbraw/zinc/19/99/73/1063199973.db2.gz LFLZXMXGGQCBLQ-CYBMUJFWSA-N 1 3 314.395 4.144 20 0 DIADHO CCCCCC[C@@H](C)N1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001257357404 1063227768 /nfs/dbraw/zinc/22/77/68/1063227768.db2.gz NENWAKFDILBBGN-MRXNPFEDSA-N 1 3 306.469 4.434 20 0 DIADHO CCCCCC[C@H](C)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001257357309 1063227875 /nfs/dbraw/zinc/22/78/75/1063227875.db2.gz MEIFPATVPXWFOO-SFHVURJKSA-N 1 3 317.521 4.242 20 0 DIADHO CCCCCC[C@H](C)N1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001257357398 1063228179 /nfs/dbraw/zinc/22/81/79/1063228179.db2.gz NENWAKFDILBBGN-INIZCTEOSA-N 1 3 306.469 4.434 20 0 DIADHO CCCC[C@H](CC)[NH+]1CCC(N)(Cc2ccc(F)cc2)CC1 ZINC001257414547 1063261890 /nfs/dbraw/zinc/26/18/90/1063261890.db2.gz POPZWBSQIXPPNR-SFHVURJKSA-N 1 3 306.469 4.130 20 0 DIADHO CCCC[C@H](CC)[NH+]1CCC(N)(Cc2cccc(F)c2)CC1 ZINC001257413962 1063262211 /nfs/dbraw/zinc/26/22/11/1063262211.db2.gz IPXDNBDBSPEQPW-SFHVURJKSA-N 1 3 306.469 4.130 20 0 DIADHO CCC[C@H](C)CC[C@H](C)[NH+]1CCC(N(CC)[C@H]2CCOC2)CC1 ZINC001257480291 1063301435 /nfs/dbraw/zinc/30/14/35/1063301435.db2.gz CZGZCGKCVCQPAV-BJLQDIEVSA-N 1 3 324.553 4.167 20 0 DIADHO CCC[C@@H](C)CC[C@@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001257478917 1063301741 /nfs/dbraw/zinc/30/17/41/1063301741.db2.gz XQNOQVLHURMDEU-QZTJIDSGSA-N 1 3 324.553 4.072 20 0 DIADHO C[NH+](C)CC[C@H](NCc1cccc(CC2CCC2)c1)C(C)(C)C ZINC001461188711 1063319229 /nfs/dbraw/zinc/31/92/29/1063319229.db2.gz BYZLAMAHGVSAOH-FQEVSTJZSA-N 1 3 316.533 4.485 20 0 DIADHO C[NH+](C)CC[C@H](NCc1cccc(OC(C)(C)C)c1)C(C)(C)C ZINC001461196431 1063322324 /nfs/dbraw/zinc/32/23/24/1063322324.db2.gz ZGHAJYDUVQGESB-SFHVURJKSA-N 1 3 320.521 4.320 20 0 DIADHO CC(C)CN1CCC([NH2+]Cc2ccc3sccc3c2)CC1 ZINC001258003592 1063458262 /nfs/dbraw/zinc/45/82/62/1063458262.db2.gz MMXQWBPLTDSTPJ-UHFFFAOYSA-N 1 3 302.487 4.111 20 0 DIADHO CC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)c1cc(C)ccc1C ZINC001258009438 1063463197 /nfs/dbraw/zinc/46/31/97/1063463197.db2.gz XLWGOGPKJIFUQW-HXUWFJFHSA-N 1 3 302.506 4.465 20 0 DIADHO CC[C@@H](NC1CC[NH+](CC(C)C)CC1)c1cc(C)ccc1C ZINC001258009438 1063463202 /nfs/dbraw/zinc/46/32/02/1063463202.db2.gz XLWGOGPKJIFUQW-HXUWFJFHSA-N 1 3 302.506 4.465 20 0 DIADHO CC(C)CN1CCC([NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC001258007222 1063463546 /nfs/dbraw/zinc/46/35/46/1063463546.db2.gz RTYJNDQDBXDOCH-GOSISDBHSA-N 1 3 306.881 4.037 20 0 DIADHO CC(C)CN1CCC([N@@H+]2CCC[C@H]2c2ccccc2F)CC1 ZINC001258014721 1063466212 /nfs/dbraw/zinc/46/62/12/1063466212.db2.gz RONFIMCMLIXIMC-IBGZPJMESA-N 1 3 304.453 4.083 20 0 DIADHO CC(C)CN1CCC([N@H+]2CCC[C@H]2c2ccccc2F)CC1 ZINC001258014721 1063466220 /nfs/dbraw/zinc/46/62/20/1063466220.db2.gz RONFIMCMLIXIMC-IBGZPJMESA-N 1 3 304.453 4.083 20 0 DIADHO Cc1ccc(-c2ccccc2C[NH2+]C[C@@H](C)CN(C)C)c(C)c1 ZINC001461538392 1063567084 /nfs/dbraw/zinc/56/70/84/1063567084.db2.gz FVOPZNIQNGEUJI-QGZVFWFLSA-N 1 3 310.485 4.258 20 0 DIADHO Cc1ccc(-c2ccccc2CNC[C@@H](C)C[NH+](C)C)c(C)c1 ZINC001461538392 1063567092 /nfs/dbraw/zinc/56/70/92/1063567092.db2.gz FVOPZNIQNGEUJI-QGZVFWFLSA-N 1 3 310.485 4.258 20 0 DIADHO CC1(C)CCC[C@H]([NH+]2CCC(N)(Cc3cccc(F)c3)CC2)C1 ZINC001258281713 1063585080 /nfs/dbraw/zinc/58/50/80/1063585080.db2.gz OVPPBLZNUFJTFK-SFHVURJKSA-N 1 3 318.480 4.130 20 0 DIADHO Cc1cc(C)c(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)c(C)c1 ZINC001461645169 1063632091 /nfs/dbraw/zinc/63/20/91/1063632091.db2.gz JZFUDRLLBIAALQ-IBGZPJMESA-N 1 3 300.490 4.108 20 0 DIADHO Cc1cc(C)c(CNC[C@@H]2CC[N@H+]2C2CCCCC2)c(C)c1 ZINC001461645169 1063632096 /nfs/dbraw/zinc/63/20/96/1063632096.db2.gz JZFUDRLLBIAALQ-IBGZPJMESA-N 1 3 300.490 4.108 20 0 DIADHO CCCCC[C@H](CC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001258434970 1063651593 /nfs/dbraw/zinc/65/15/93/1063651593.db2.gz SZGUBWNKVWWZFD-FQEVSTJZSA-N 1 3 317.521 4.242 20 0 DIADHO CC1(C)CC[C@@H]([NH+]2CCC(N)(Cc3cccc(Cl)c3)CC2)C1 ZINC001258598015 1063702292 /nfs/dbraw/zinc/70/22/92/1063702292.db2.gz OCOUYESRMGHVHC-QGZVFWFLSA-N 1 3 320.908 4.255 20 0 DIADHO CCC[C@H](Cc1ccccc1)[NH+]1CCC(N2CCCCC2)CC1 ZINC001258654349 1063728446 /nfs/dbraw/zinc/72/84/46/1063728446.db2.gz NWPYIMGCVCYMHW-OAQYLSRUSA-N 1 3 314.517 4.348 20 0 DIADHO CCC[C@H](Cc1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC001258654349 1063728465 /nfs/dbraw/zinc/72/84/65/1063728465.db2.gz NWPYIMGCVCYMHW-OAQYLSRUSA-N 1 3 314.517 4.348 20 0 DIADHO C[C@@H]1C[C@H]([NH+]2CCC(N)(Cc3ccccc3)CC2)CC(C)(C)C1 ZINC001258692207 1063755067 /nfs/dbraw/zinc/75/50/67/1063755067.db2.gz NUMJPHBJMDAHDA-MJGOQNOKSA-N 1 3 314.517 4.237 20 0 DIADHO Cc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1Cl ZINC001461936069 1063820148 /nfs/dbraw/zinc/82/01/48/1063820148.db2.gz NWBAGUUUZBONPH-UHFFFAOYSA-N 1 3 308.897 4.201 20 0 DIADHO Cc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc1Cl ZINC001461936069 1063820162 /nfs/dbraw/zinc/82/01/62/1063820162.db2.gz NWBAGUUUZBONPH-UHFFFAOYSA-N 1 3 308.897 4.201 20 0 DIADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N)(Cc3cccc(Cl)c3)CC2)C1 ZINC001258811598 1063840520 /nfs/dbraw/zinc/84/05/20/1063840520.db2.gz BZWGRMYVALZHGE-CRAIPNDOSA-N 1 3 320.908 4.255 20 0 DIADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N)(Cc3ccc(Cl)cc3)CC2)C1 ZINC001258811852 1063841379 /nfs/dbraw/zinc/84/13/79/1063841379.db2.gz GJVMCWCBTIXUMQ-CRAIPNDOSA-N 1 3 320.908 4.255 20 0 DIADHO C[C@@H](C[NH2+]CC[C@H](C)N1CCCCC1)c1cccc(Cl)c1 ZINC001462080728 1063918930 /nfs/dbraw/zinc/91/89/30/1063918930.db2.gz DBEJTDSMCUFTKB-HOTGVXAUSA-N 1 3 308.897 4.298 20 0 DIADHO Cc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1C ZINC001462079481 1063919075 /nfs/dbraw/zinc/91/90/75/1063919075.db2.gz JKCFAMXTCNIPBM-AZUAARDMSA-N 1 3 314.517 4.089 20 0 DIADHO C[C@@H](CC[NH2+][C@H]1CCc2cccc(Cl)c2C1)N1CCCCC1 ZINC001462081790 1063921532 /nfs/dbraw/zinc/92/15/32/1063921532.db2.gz GZXRVRXRFUXYTR-RDJZCZTQSA-N 1 3 320.908 4.051 20 0 DIADHO CN1CCC2(CCC[N@@H+]2Cc2ccc(F)c3ccccc23)CC1 ZINC001462093777 1063926499 /nfs/dbraw/zinc/92/64/99/1063926499.db2.gz JOMUCSVMOPAWJG-UHFFFAOYSA-N 1 3 312.432 4.039 20 0 DIADHO CN1CCC2(CCC[N@H+]2Cc2ccc(F)c3ccccc23)CC1 ZINC001462093777 1063926506 /nfs/dbraw/zinc/92/65/06/1063926506.db2.gz JOMUCSVMOPAWJG-UHFFFAOYSA-N 1 3 312.432 4.039 20 0 DIADHO Cc1ccc(C)c(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379635012 1063984012 /nfs/dbraw/zinc/98/40/12/1063984012.db2.gz PZTGDESPVQJSQC-UGKGYDQZSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1ccc(C)c(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379635012 1063984044 /nfs/dbraw/zinc/98/40/44/1063984044.db2.gz PZTGDESPVQJSQC-UGKGYDQZSA-N 1 3 322.496 4.446 20 0 DIADHO CCC[C@H](CC)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000381310642 1063992960 /nfs/dbraw/zinc/99/29/60/1063992960.db2.gz NROZXSNYZUWQOG-LWYYNNOASA-N 1 3 300.490 4.065 20 0 DIADHO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000390811817 1064170348 /nfs/dbraw/zinc/17/03/48/1064170348.db2.gz WHNMPOJXTWOHBH-QNDFHXLGSA-N 1 3 312.501 4.065 20 0 DIADHO CCc1ccc(CN2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)o1 ZINC001279329916 1064344540 /nfs/dbraw/zinc/34/45/40/1064344540.db2.gz JIEAKCUUAAPOBV-UHFFFAOYSA-N 1 3 316.489 4.073 20 0 DIADHO CCc1ccc(CN2CCC3(CC[N@H+](C4CCCC4)C3)CC2)o1 ZINC001279329916 1064344541 /nfs/dbraw/zinc/34/45/41/1064344541.db2.gz JIEAKCUUAAPOBV-UHFFFAOYSA-N 1 3 316.489 4.073 20 0 DIADHO C[NH2+][C@@]12CC[C@@](NCc3cc4ccccc4s3)(C1)CCC2 ZINC001279403191 1064348112 /nfs/dbraw/zinc/34/81/12/1064348112.db2.gz OCWRQSCWQDVYEB-ZWKOTPCHSA-N 1 3 300.471 4.056 20 0 DIADHO Clc1ccc(CN2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)o1 ZINC001279483800 1064351202 /nfs/dbraw/zinc/35/12/02/1064351202.db2.gz WHHLBBJLWCQKJG-GASCZTMLSA-N 1 3 322.880 4.019 20 0 DIADHO Clc1ccc(CN2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)o1 ZINC001279483800 1064351208 /nfs/dbraw/zinc/35/12/08/1064351208.db2.gz WHHLBBJLWCQKJG-GASCZTMLSA-N 1 3 322.880 4.019 20 0 DIADHO C[NH2+][C@@]12CC[C@@](NCc3cccc4sccc43)(C1)CCC2 ZINC001279650380 1064362712 /nfs/dbraw/zinc/36/27/12/1064362712.db2.gz ZRROCYGVHTZZFU-ZWKOTPCHSA-N 1 3 300.471 4.056 20 0 DIADHO CC[N@H+](CC[C@H]1CCCN1C)Cc1ccc(C(F)(F)F)cc1 ZINC001307434700 1065394974 /nfs/dbraw/zinc/39/49/74/1065394974.db2.gz XTCKEDGJUNZOCR-MRXNPFEDSA-N 1 3 314.395 4.012 20 0 DIADHO CC[N@@H+](CC[C@H]1CCCN1C)Cc1ccc(C(F)(F)F)cc1 ZINC001307434700 1065394975 /nfs/dbraw/zinc/39/49/75/1065394975.db2.gz XTCKEDGJUNZOCR-MRXNPFEDSA-N 1 3 314.395 4.012 20 0 DIADHO C[N@@H+]1CCC[C@H]1CCN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC001307628308 1065527301 /nfs/dbraw/zinc/52/73/01/1065527301.db2.gz HERCSQBENOXXCE-ZWKOTPCHSA-N 1 3 306.881 4.255 20 0 DIADHO C[N@H+]1CCC[C@H]1CCN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC001307628308 1065527315 /nfs/dbraw/zinc/52/73/15/1065527315.db2.gz HERCSQBENOXXCE-ZWKOTPCHSA-N 1 3 306.881 4.255 20 0 DIADHO CN1CCC[C@H]1CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC001307628308 1065527329 /nfs/dbraw/zinc/52/73/29/1065527329.db2.gz HERCSQBENOXXCE-ZWKOTPCHSA-N 1 3 306.881 4.255 20 0 DIADHO c1cc(C[NH2+]CCCN2CCCCC2)cc(C2CCCC2)c1 ZINC001308185652 1065795039 /nfs/dbraw/zinc/79/50/39/1065795039.db2.gz DQFQLOOVHCGCMN-UHFFFAOYSA-N 1 3 300.490 4.310 20 0 DIADHO CCN1CC[C@H](C[NH2+]C[C@@H](C)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001308208948 1065816650 /nfs/dbraw/zinc/81/66/50/1065816650.db2.gz JLZJUXTXHUHLMA-PKOBYXMFSA-N 1 3 316.533 4.094 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)C1 ZINC001308225216 1065830816 /nfs/dbraw/zinc/83/08/16/1065830816.db2.gz OHOVEAMLBNWPSN-IZZBFERCSA-N 1 3 314.517 4.280 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@H](C)C[C@H](c3ccccc3)C2)C1 ZINC001308225219 1065831445 /nfs/dbraw/zinc/83/14/45/1065831445.db2.gz OHOVEAMLBNWPSN-RMVXJAJNSA-N 1 3 314.517 4.280 20 0 DIADHO C[C@H]1CC([NH2+]C2CCN(CC3CCCCC3)CC2)C[C@H](C)C1 ZINC001308238195 1065845908 /nfs/dbraw/zinc/84/59/08/1065845908.db2.gz UHSPFIMWUYRBGK-IAGOWNOFSA-N 1 3 306.538 4.445 20 0 DIADHO CCCc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC001308576058 1066090009 /nfs/dbraw/zinc/09/00/09/1066090009.db2.gz YJKMXAOOFVWKDU-BEFAXECRSA-N 1 3 318.530 4.149 20 0 DIADHO CCCc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC001308576058 1066090020 /nfs/dbraw/zinc/09/00/20/1066090020.db2.gz YJKMXAOOFVWKDU-BEFAXECRSA-N 1 3 318.530 4.149 20 0 DIADHO CCCC[N@H+](C)CC1CCN(Cc2cccc(C)c2F)CC1 ZINC001308605114 1066113428 /nfs/dbraw/zinc/11/34/28/1066113428.db2.gz FIXVDAMPQSYSHO-UHFFFAOYSA-N 1 3 306.469 4.078 20 0 DIADHO CCCC[N@@H+](C)CC1CCN(Cc2cccc(C)c2F)CC1 ZINC001308605114 1066113431 /nfs/dbraw/zinc/11/34/31/1066113431.db2.gz FIXVDAMPQSYSHO-UHFFFAOYSA-N 1 3 306.469 4.078 20 0 DIADHO CCC1C[NH+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C1 ZINC001308804815 1066281674 /nfs/dbraw/zinc/28/16/74/1066281674.db2.gz WKPIBZKXOOLZAJ-NRFANRHFSA-N 1 3 314.517 4.267 20 0 DIADHO CCC1CN(C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001308804815 1066281684 /nfs/dbraw/zinc/28/16/84/1066281684.db2.gz WKPIBZKXOOLZAJ-NRFANRHFSA-N 1 3 314.517 4.267 20 0 DIADHO CCC1CN(C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001308804815 1066281694 /nfs/dbraw/zinc/28/16/94/1066281694.db2.gz WKPIBZKXOOLZAJ-NRFANRHFSA-N 1 3 314.517 4.267 20 0 DIADHO CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+]CC[C@H](C)N(C)C)cc1 ZINC001308881961 1066362490 /nfs/dbraw/zinc/36/24/90/1066362490.db2.gz BGTKCMTYNTZWOO-KSZLIROESA-N 1 3 304.522 4.307 20 0 DIADHO C[C@H](CN(C)C)[C@H]1CCCC[N@@H+]1C[C@@H](C)c1cc(F)cc(F)c1 ZINC001308882871 1066363005 /nfs/dbraw/zinc/36/30/05/1066363005.db2.gz SGRJSRMUBUEBSD-SPYBWZPUSA-N 1 3 324.459 4.121 20 0 DIADHO C[C@H](CN(C)C)[C@H]1CCCC[N@H+]1C[C@@H](C)c1cc(F)cc(F)c1 ZINC001308882871 1066363022 /nfs/dbraw/zinc/36/30/22/1066363022.db2.gz SGRJSRMUBUEBSD-SPYBWZPUSA-N 1 3 324.459 4.121 20 0 DIADHO C([NH2+][C@H]1CCCCC12CCCC2)[C@@H]1CCCN(CC2CC2)C1 ZINC001308884345 1066364786 /nfs/dbraw/zinc/36/47/86/1066364786.db2.gz PZFJEUJSKGZOGC-OALUTQOASA-N 1 3 304.522 4.201 20 0 DIADHO C[C@H](CC1CCCCC1)C[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC001308920104 1066398983 /nfs/dbraw/zinc/39/89/83/1066398983.db2.gz ZJXDFJGOBGTCMB-MSOLQXFVSA-N 1 3 315.505 4.199 20 0 DIADHO C[C@H](CC1CCCCC1)C[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC001308920104 1066399001 /nfs/dbraw/zinc/39/90/01/1066399001.db2.gz ZJXDFJGOBGTCMB-MSOLQXFVSA-N 1 3 315.505 4.199 20 0 DIADHO CCN(CC)CC[C@H]([NH2+][C@H]1CC[C@H]1C(C)C)c1ccccc1 ZINC001308981808 1066431084 /nfs/dbraw/zinc/43/10/84/1066431084.db2.gz MXAKAMVKRNBHRF-UFYCRDLUSA-N 1 3 302.506 4.484 20 0 DIADHO CCN(CC)CC[C@@H]([NH2+][C@H]1C[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC001308981208 1066431976 /nfs/dbraw/zinc/43/19/76/1066431976.db2.gz GDNSXRTWHIHANG-HAGHYFMRSA-N 1 3 300.490 4.238 20 0 DIADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCC[C@H]3C3CCCCC3)[C@@H]2C1 ZINC001308985101 1066432919 /nfs/dbraw/zinc/43/29/19/1066432919.db2.gz SDBJXUGGPFZARB-OMZCGLGVSA-N 1 3 304.522 4.055 20 0 DIADHO Cc1ccc2cc([C@@H](C)NCC3(C)CC[NH+](C)CC3)oc2c1 ZINC000426033923 335020178 /nfs/dbraw/zinc/02/01/78/335020178.db2.gz DIIDHISZRLOJRI-OAHLLOKOSA-N 1 3 300.446 4.124 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1cccs1 ZINC000021798929 182290540 /nfs/dbraw/zinc/29/05/40/182290540.db2.gz MERGIZYFHHYBBQ-OAHLLOKOSA-N 1 3 302.487 4.441 20 0 DIADHO CCC[NH+]1CCC(N(C)C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000525865343 335033749 /nfs/dbraw/zinc/03/37/49/335033749.db2.gz OELFKCYAJGQAJQ-OAHLLOKOSA-N 1 3 308.897 4.250 20 0 DIADHO CC[C@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000274927695 130275345 /nfs/dbraw/zinc/27/53/45/130275345.db2.gz QDXRQFYLVCTKKQ-WMQCIHAUSA-N 1 3 323.484 4.033 20 0 DIADHO CC[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000274927695 130275347 /nfs/dbraw/zinc/27/53/47/130275347.db2.gz QDXRQFYLVCTKKQ-WMQCIHAUSA-N 1 3 323.484 4.033 20 0 DIADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccc(Cl)cn1 ZINC000274930783 130275562 /nfs/dbraw/zinc/27/55/62/130275562.db2.gz QTPNQWXFZNFNHX-HUUCEWRRSA-N 1 3 309.885 4.040 20 0 DIADHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccc(Cl)cn1 ZINC000274930783 130275567 /nfs/dbraw/zinc/27/55/67/130275567.db2.gz QTPNQWXFZNFNHX-HUUCEWRRSA-N 1 3 309.885 4.040 20 0 DIADHO CC(C)Oc1ccc([C@H](C)NCC2=CC[N@H+](C)CC2)cc1Cl ZINC000284550907 131091811 /nfs/dbraw/zinc/09/18/11/131091811.db2.gz XXLYVTVNOQATRH-AWEZNQCLSA-N 1 3 322.880 4.040 20 0 DIADHO CC(C)Oc1ccc([C@H](C)NCC2=CC[N@@H+](C)CC2)cc1Cl ZINC000284550907 131091813 /nfs/dbraw/zinc/09/18/13/131091813.db2.gz XXLYVTVNOQATRH-AWEZNQCLSA-N 1 3 322.880 4.040 20 0 DIADHO Cc1cccc([C@H](C)[NH2+]C2CCN(c3ccncc3)CC2)c1C ZINC000298229840 132051468 /nfs/dbraw/zinc/05/14/68/132051468.db2.gz BEBXCXXNOOKYKK-KRWDZBQOSA-N 1 3 309.457 4.018 20 0 DIADHO Cc1ccc([C@H]([NH2+]C2CCN(c3ccncc3)CC2)C2CC2)cc1 ZINC000298490928 132065647 /nfs/dbraw/zinc/06/56/47/132065647.db2.gz PYIIPUMIVWZEGG-NRFANRHFSA-N 1 3 321.468 4.100 20 0 DIADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccccc2Cl)C1 ZINC000518266213 332003038 /nfs/dbraw/zinc/00/30/38/332003038.db2.gz QLAMPTIRKGSEMG-HZPDHXFCSA-N 1 3 308.897 4.188 20 0 DIADHO Cc1sccc1CNC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000559273242 332011906 /nfs/dbraw/zinc/01/19/06/332011906.db2.gz KVTLCIRRUPWJOF-DOTOQJQBSA-N 1 3 320.527 4.291 20 0 DIADHO Cc1sccc1CNC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000559273242 332011907 /nfs/dbraw/zinc/01/19/07/332011907.db2.gz KVTLCIRRUPWJOF-DOTOQJQBSA-N 1 3 320.527 4.291 20 0 DIADHO CCCC[N@H+](C)CC1CCN([C@H](C)c2ccccc2F)CC1 ZINC000520044086 332032093 /nfs/dbraw/zinc/03/20/93/332032093.db2.gz OGBVZAVIIURGHZ-MRXNPFEDSA-N 1 3 306.469 4.331 20 0 DIADHO CCCC[N@@H+](C)CC1CCN([C@H](C)c2ccccc2F)CC1 ZINC000520044086 332032095 /nfs/dbraw/zinc/03/20/95/332032095.db2.gz OGBVZAVIIURGHZ-MRXNPFEDSA-N 1 3 306.469 4.331 20 0 DIADHO FC1(F)CCCC[C@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000449377993 332094915 /nfs/dbraw/zinc/09/49/15/332094915.db2.gz QBGZPZDWCMFGFY-HNNXBMFYSA-N 1 3 314.464 4.199 20 0 DIADHO FC1(F)CCCC[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449377993 332094916 /nfs/dbraw/zinc/09/49/16/332094916.db2.gz QBGZPZDWCMFGFY-HNNXBMFYSA-N 1 3 314.464 4.199 20 0 DIADHO CC(C)[C@@H]1C[C@@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000448028897 332201309 /nfs/dbraw/zinc/20/13/09/332201309.db2.gz PIDMDSPQWFXCSJ-NTLWEQJWSA-N 1 3 312.501 4.130 20 0 DIADHO CC(C)[C@@H]1C[C@@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000448028897 332201311 /nfs/dbraw/zinc/20/13/11/332201311.db2.gz PIDMDSPQWFXCSJ-NTLWEQJWSA-N 1 3 312.501 4.130 20 0 DIADHO CC(C)[C@@H]1C[C@@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000448028898 332201500 /nfs/dbraw/zinc/20/15/00/332201500.db2.gz PIDMDSPQWFXCSJ-NYUBLWNDSA-N 1 3 312.501 4.130 20 0 DIADHO CC(C)[C@@H]1C[C@@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000448028898 332201501 /nfs/dbraw/zinc/20/15/01/332201501.db2.gz PIDMDSPQWFXCSJ-NYUBLWNDSA-N 1 3 312.501 4.130 20 0 DIADHO C[C@@H](NCCC[NH+]1CCCC1)c1ccc(F)c2ccccc21 ZINC000559732287 332277842 /nfs/dbraw/zinc/27/78/42/332277842.db2.gz LUKSBFDQRRPBIA-OAHLLOKOSA-N 1 3 300.421 4.115 20 0 DIADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(F)c2ccccc21 ZINC000559732287 332277843 /nfs/dbraw/zinc/27/78/43/332277843.db2.gz LUKSBFDQRRPBIA-OAHLLOKOSA-N 1 3 300.421 4.115 20 0 DIADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c2ccccc21 ZINC000559740342 332278348 /nfs/dbraw/zinc/27/83/48/332278348.db2.gz OJEBHKTWBDNSEI-HUUCEWRRSA-N 1 3 312.432 4.114 20 0 DIADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c2ccccc21 ZINC000559740342 332278350 /nfs/dbraw/zinc/27/83/50/332278350.db2.gz OJEBHKTWBDNSEI-HUUCEWRRSA-N 1 3 312.432 4.114 20 0 DIADHO Cc1ccc([C@@H](NCCCCC[NH+]2CCCC2)C2CCC2)o1 ZINC000559891086 332289818 /nfs/dbraw/zinc/28/98/18/332289818.db2.gz NGJPTYWHXYVBHD-IBGZPJMESA-N 1 3 304.478 4.285 20 0 DIADHO C[NH+]1CCC(C)(CNC(c2ccccc2)c2ccccc2)CC1 ZINC000391785697 335101253 /nfs/dbraw/zinc/10/12/53/335101253.db2.gz SIUQOYZWESUKBW-UHFFFAOYSA-N 1 3 308.469 4.098 20 0 DIADHO C[C@@H](NC1CCC([NH3+])CC1)c1cc(F)c(Cl)cc1Cl ZINC000051694276 332657594 /nfs/dbraw/zinc/65/75/94/332657594.db2.gz DHXAVQNKTFWAQZ-XNWIYYODSA-N 1 3 305.224 4.053 20 0 DIADHO C[C@@H]([NH3+])C1CCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000110649125 333040071 /nfs/dbraw/zinc/04/00/71/333040071.db2.gz NVTIWAXPORQKKP-LLVKDONJSA-N 1 3 308.878 4.114 20 0 DIADHO CCC(CC)[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000378902532 333061860 /nfs/dbraw/zinc/06/18/60/333061860.db2.gz XPWMONWWBJSRPU-ZCNNSNEGSA-N 1 3 300.490 4.380 20 0 DIADHO CCC(CC)[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000378902532 333061862 /nfs/dbraw/zinc/06/18/62/333061862.db2.gz XPWMONWWBJSRPU-ZCNNSNEGSA-N 1 3 300.490 4.380 20 0 DIADHO Fc1ccc([C@@H](NCc2ccc3c(c2)C[NH2+]CC3)C2CCC2)cc1 ZINC000518781721 333187086 /nfs/dbraw/zinc/18/70/86/333187086.db2.gz SXWCBEMHZRLQGF-NRFANRHFSA-N 1 3 324.443 4.102 20 0 DIADHO c1ccc(C[N@H+]2CC[C@@H](CN[C@@H]3CCCc4ccccc43)C2)cc1 ZINC000310090910 333217770 /nfs/dbraw/zinc/21/77/70/333217770.db2.gz RAKAELLFKSZUAY-SIKLNZKXSA-N 1 3 320.480 4.176 20 0 DIADHO c1ccc(C[N@@H+]2CC[C@@H](CN[C@@H]3CCCc4ccccc43)C2)cc1 ZINC000310090910 333217772 /nfs/dbraw/zinc/21/77/72/333217772.db2.gz RAKAELLFKSZUAY-SIKLNZKXSA-N 1 3 320.480 4.176 20 0 DIADHO FC1(F)CCC[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000502315445 333289149 /nfs/dbraw/zinc/28/91/49/333289149.db2.gz ABHHHLLUAPBELR-HNNXBMFYSA-N 1 3 314.464 4.199 20 0 DIADHO CC(C)[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(F)cn1 ZINC000497851907 333301653 /nfs/dbraw/zinc/30/16/53/333301653.db2.gz HPSLGVMAFIIPRM-VQIMIIECSA-N 1 3 321.484 4.020 20 0 DIADHO CC(C)[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(F)cn1 ZINC000497851907 333301654 /nfs/dbraw/zinc/30/16/54/333301654.db2.gz HPSLGVMAFIIPRM-VQIMIIECSA-N 1 3 321.484 4.020 20 0 DIADHO Cc1ccccc1[C@@H](C)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390744238 333322779 /nfs/dbraw/zinc/32/27/79/333322779.db2.gz OPZOMDAFODOUSB-QUCCMNQESA-N 1 3 308.469 4.168 20 0 DIADHO Cc1ccccc1[C@@H](C)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390744238 333322780 /nfs/dbraw/zinc/32/27/80/333322780.db2.gz OPZOMDAFODOUSB-QUCCMNQESA-N 1 3 308.469 4.168 20 0 DIADHO Cc1ccc([C@H](C)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000390756995 333324316 /nfs/dbraw/zinc/32/43/16/333324316.db2.gz WXEQOQRNQNMWFQ-ICSRJNTNSA-N 1 3 308.469 4.168 20 0 DIADHO Cc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000390756995 333324317 /nfs/dbraw/zinc/32/43/17/333324317.db2.gz WXEQOQRNQNMWFQ-ICSRJNTNSA-N 1 3 308.469 4.168 20 0 DIADHO Cc1cccc([C@@H](C)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000390775304 333392199 /nfs/dbraw/zinc/39/21/99/333392199.db2.gz MKEWBTMCLIXFDD-QUCCMNQESA-N 1 3 308.469 4.168 20 0 DIADHO Cc1cccc([C@@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000390775304 333392201 /nfs/dbraw/zinc/39/22/01/333392201.db2.gz MKEWBTMCLIXFDD-QUCCMNQESA-N 1 3 308.469 4.168 20 0 DIADHO Cc1cccc([C@@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000390775306 333392227 /nfs/dbraw/zinc/39/22/27/333392227.db2.gz MKEWBTMCLIXFDD-UYAOXDASSA-N 1 3 308.469 4.168 20 0 DIADHO Cc1cccc([C@@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000390775306 333392228 /nfs/dbraw/zinc/39/22/28/333392228.db2.gz MKEWBTMCLIXFDD-UYAOXDASSA-N 1 3 308.469 4.168 20 0 DIADHO Cc1cccc([C@H](C)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000390775109 333392270 /nfs/dbraw/zinc/39/22/70/333392270.db2.gz MKEWBTMCLIXFDD-ICSRJNTNSA-N 1 3 308.469 4.168 20 0 DIADHO Cc1cccc([C@H](C)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000390775109 333392272 /nfs/dbraw/zinc/39/22/72/333392272.db2.gz MKEWBTMCLIXFDD-ICSRJNTNSA-N 1 3 308.469 4.168 20 0 DIADHO C[C@H]1C[C@H](CN(Cc2cccs2)Cc2cccs2)CC[NH2+]1 ZINC000414684855 334068681 /nfs/dbraw/zinc/06/86/81/334068681.db2.gz XABZRSAFGIPMMJ-LSDHHAIUSA-N 1 3 320.527 4.200 20 0 DIADHO C[C@H]([NH3+])c1ccc(CNCc2cccc(C(F)(F)F)c2)cc1 ZINC000414806058 334103448 /nfs/dbraw/zinc/10/34/48/334103448.db2.gz HAJAGHINBJWPIR-LBPRGKRZSA-N 1 3 308.347 4.015 20 0 DIADHO CCc1oc2ccccc2c1CNCc1ccc([C@H](C)[NH3+])cc1 ZINC000414806129 334103570 /nfs/dbraw/zinc/10/35/70/334103570.db2.gz HGAYILAYVPZQGZ-AWEZNQCLSA-N 1 3 308.425 4.305 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1 ZINC000414815663 334106844 /nfs/dbraw/zinc/10/68/44/334106844.db2.gz YAHOAWLHEPVOFX-GFCCVEGCSA-N 1 3 308.347 4.015 20 0 DIADHO CCCOc1cccc(CN[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000415044147 334260941 /nfs/dbraw/zinc/26/09/41/334260941.db2.gz AJVXMESQIIYTAM-FQEVSTJZSA-N 1 3 312.457 4.045 20 0 DIADHO [NH3+]CCC[C@@H](NCc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000415046614 334261179 /nfs/dbraw/zinc/26/11/79/334261179.db2.gz CXEJKPZCWTWYQG-QGZVFWFLSA-N 1 3 306.812 4.049 20 0 DIADHO CC(C)(C)c1ncc(CN[C@H](CCC[NH3+])c2ccccc2)s1 ZINC000415047035 334261493 /nfs/dbraw/zinc/26/14/93/334261493.db2.gz DMHRGFCUXPCRFV-MRXNPFEDSA-N 1 3 317.502 4.010 20 0 DIADHO [NH3+]CCC[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000415056652 334261686 /nfs/dbraw/zinc/26/16/86/334261686.db2.gz QBLIPQYCDKZPHD-QGZVFWFLSA-N 1 3 322.374 4.275 20 0 DIADHO [NH3+]CCC[C@@H](NCc1cc2ccccc2s1)c1ccccc1 ZINC000415060064 334261992 /nfs/dbraw/zinc/26/19/92/334261992.db2.gz WAKQHVISDXCIJO-GOSISDBHSA-N 1 3 310.466 4.471 20 0 DIADHO [NH3+]CCC[C@@H](NCc1csc2ccccc12)c1ccccc1 ZINC000415062165 334262500 /nfs/dbraw/zinc/26/25/00/334262500.db2.gz ZXEHTHFTHCYWOW-GOSISDBHSA-N 1 3 310.466 4.471 20 0 DIADHO COc1ccc([C@H](CCC(C)C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000531972455 334336958 /nfs/dbraw/zinc/33/69/58/334336958.db2.gz YYSCOLBQWBYDOV-PXNSSMCTSA-N 1 3 318.505 4.104 20 0 DIADHO COc1ccc([C@H](CCC(C)C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000531972455 334336959 /nfs/dbraw/zinc/33/69/59/334336959.db2.gz YYSCOLBQWBYDOV-PXNSSMCTSA-N 1 3 318.505 4.104 20 0 DIADHO CCCCN1CCC([NH2+]Cc2csc3ccccc23)CC1 ZINC000049949206 334359697 /nfs/dbraw/zinc/35/96/97/334359697.db2.gz IWDWEDFTRDWFBW-UHFFFAOYSA-N 1 3 302.487 4.255 20 0 DIADHO C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000531988795 334364306 /nfs/dbraw/zinc/36/43/06/334364306.db2.gz SBKARNGXJPKJEH-MMOPVJDHSA-N 1 3 308.469 4.317 20 0 DIADHO C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000531988795 334364307 /nfs/dbraw/zinc/36/43/07/334364307.db2.gz SBKARNGXJPKJEH-MMOPVJDHSA-N 1 3 308.469 4.317 20 0 DIADHO CCSc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000535231473 334381215 /nfs/dbraw/zinc/38/12/15/334381215.db2.gz ZXPBTFRECVXARS-BHYGNILZSA-N 1 3 306.519 4.322 20 0 DIADHO C[NH+](C)Cc1cccc(CN[C@H]2CCCc3ccc(F)cc32)c1 ZINC000344126878 335219875 /nfs/dbraw/zinc/21/98/75/335219875.db2.gz PDEUXQCAYBXQPT-FQEVSTJZSA-N 1 3 312.432 4.055 20 0 DIADHO Clc1ccc([C@@H](CC2CC2)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000345682957 335341291 /nfs/dbraw/zinc/34/12/91/335341291.db2.gz NYAGBTZIDFBSLZ-DNVCBOLYSA-N 1 3 318.892 4.255 20 0 DIADHO Clc1ccc([C@@H](CC2CC2)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000345682957 335341293 /nfs/dbraw/zinc/34/12/93/335341293.db2.gz NYAGBTZIDFBSLZ-DNVCBOLYSA-N 1 3 318.892 4.255 20 0 DIADHO CC[NH+]1CCC(N[C@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000345693319 335342313 /nfs/dbraw/zinc/34/23/13/335342313.db2.gz QLQZSKSHZKTZBC-GOSISDBHSA-N 1 3 306.881 4.255 20 0 DIADHO c1ccc2c(c1)CCC[C@@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000352781782 336236251 /nfs/dbraw/zinc/23/62/51/336236251.db2.gz ZOKUUDDPVCVOSW-QFIPXVFZSA-N 1 3 320.480 4.450 20 0 DIADHO C[NH+](C)Cc1ccc(CN[C@@H](CC2CC2)c2ccccc2)cc1 ZINC000532454608 336248217 /nfs/dbraw/zinc/24/82/17/336248217.db2.gz DGNXUUMKAMLFAE-NRFANRHFSA-N 1 3 308.469 4.379 20 0 DIADHO CN(C)Cc1ccc(C[NH2+][C@@H](CC2CC2)c2ccccc2)cc1 ZINC000532454608 336248218 /nfs/dbraw/zinc/24/82/18/336248218.db2.gz DGNXUUMKAMLFAE-NRFANRHFSA-N 1 3 308.469 4.379 20 0 DIADHO CCc1c(C)nc2ccccc2c1N1CCC([NH+]2CCCC2)CC1 ZINC000302073440 336347058 /nfs/dbraw/zinc/34/70/58/336347058.db2.gz WPOIOQHGCFPZHK-UHFFFAOYSA-N 1 3 323.484 4.170 20 0 DIADHO C[NH+]1CCC(CNCc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000105459272 336387743 /nfs/dbraw/zinc/38/77/43/336387743.db2.gz FDFPMVGWXLKTIJ-UHFFFAOYSA-N 1 3 318.848 4.031 20 0 DIADHO CCC[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000357862222 336602019 /nfs/dbraw/zinc/60/20/19/336602019.db2.gz GBCALJIQIZHYSU-OAQYLSRUSA-N 1 3 323.484 4.429 20 0 DIADHO C[C@@H]1C[C@@H]1c1ccc(CNCCCC[N@@H+]2CCCC[C@H]2C)o1 ZINC000583710718 337095182 /nfs/dbraw/zinc/09/51/82/337095182.db2.gz NSMVTUSSRXAKLQ-NUJGCVRESA-N 1 3 304.478 4.147 20 0 DIADHO C[C@@H]1C[C@@H]1c1ccc(CNCCCC[N@H+]2CCCC[C@H]2C)o1 ZINC000583710718 337095183 /nfs/dbraw/zinc/09/51/83/337095183.db2.gz NSMVTUSSRXAKLQ-NUJGCVRESA-N 1 3 304.478 4.147 20 0 DIADHO CC[C@H](NCC1CC[NH+](CC)CC1)c1cccc(Cl)c1F ZINC000582520175 337100165 /nfs/dbraw/zinc/10/01/65/337100165.db2.gz LFRPNQVERODSFP-INIZCTEOSA-N 1 3 312.860 4.252 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000392193145 337179145 /nfs/dbraw/zinc/17/91/45/337179145.db2.gz IJSJHZGTOZPAKY-LJQANCHMSA-N 1 3 322.496 4.138 20 0 DIADHO Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)s1 ZINC000183190861 337190244 /nfs/dbraw/zinc/19/02/44/337190244.db2.gz LIQDORYVKOIOSF-WOSRLPQWSA-N 1 3 321.534 4.064 20 0 DIADHO Cc1ccc2c(c1)OCCC[C@H]2NCc1cccc(C[NH+](C)C)c1 ZINC000123616970 337400162 /nfs/dbraw/zinc/40/01/62/337400162.db2.gz HJDHKHLDVDCHDU-HXUWFJFHSA-N 1 3 324.468 4.060 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)CCC1CCCCC1 ZINC000422739580 337684612 /nfs/dbraw/zinc/68/46/12/337684612.db2.gz ADIDHBPGBJWUNG-CABCVRRESA-N 1 3 303.494 4.248 20 0 DIADHO c1ccc(C(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC000422738810 337684662 /nfs/dbraw/zinc/68/46/62/337684662.db2.gz ZMKNANAHBXEBID-WCRBZPEASA-N 1 3 320.480 4.081 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000422814693 337687769 /nfs/dbraw/zinc/68/77/69/337687769.db2.gz VYDQGNQBFFPQCS-QGTPRVQTSA-N 1 3 303.494 4.104 20 0 DIADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N[C@H](C)C[C@H](C)[NH3+] ZINC000422891957 337690470 /nfs/dbraw/zinc/69/04/70/337690470.db2.gz WZNYIPNXDBFNQT-MJBXVCDLSA-N 1 3 317.502 4.203 20 0 DIADHO CCCCC1CCC([NH2+][C@H](C)c2ccc(CN)nc2C)CC1 ZINC000422933600 337692209 /nfs/dbraw/zinc/69/22/09/337692209.db2.gz BLKBHYDMKKPTMN-ODIFPOPNSA-N 1 3 303.494 4.248 20 0 DIADHO C[C@H](CCC[NH3+])N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000422951715 337694521 /nfs/dbraw/zinc/69/45/21/337694521.db2.gz ZWGPZZFRJHRWOO-MLGOLLRUSA-N 1 3 308.878 4.208 20 0 DIADHO C[C@@H](CCC[NH3+])N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000422951103 337694534 /nfs/dbraw/zinc/69/45/34/337694534.db2.gz XNQWWHJOOFNKML-BLLLJJGKSA-N 1 3 308.878 4.208 20 0 DIADHO C[C@H](N)CC[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000423228003 337705859 /nfs/dbraw/zinc/70/58/59/337705859.db2.gz XWFWTXPUBLRBMU-FUJMWEONSA-N 1 3 314.395 4.059 20 0 DIADHO Cc1cc([C@@H](NCc2ccc([C@H](C)[NH3+])cc2)C2CC2)ccc1F ZINC000423291426 337710109 /nfs/dbraw/zinc/71/01/09/337710109.db2.gz IGCHLMOKPPYTRV-XOBRGWDASA-N 1 3 312.432 4.395 20 0 DIADHO CSc1ccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423292942 337710256 /nfs/dbraw/zinc/71/02/56/337710256.db2.gz PAMCVXRCAVEGJP-UONOGXRCSA-N 1 3 300.471 4.279 20 0 DIADHO CSc1ccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423292941 337710351 /nfs/dbraw/zinc/71/03/51/337710351.db2.gz PAMCVXRCAVEGJP-KGLIPLIRSA-N 1 3 300.471 4.279 20 0 DIADHO Cc1cc(C)c2c(c1)[C@H](NCc1ccc([C@H](C)[NH3+])cc1)CCCO2 ZINC000423296016 337710639 /nfs/dbraw/zinc/71/06/39/337710639.db2.gz YFONYANYBPRSJM-OXJNMPFZSA-N 1 3 324.468 4.327 20 0 DIADHO C[C@H](NCC1=CC[NH2+]CC1)c1ccc(Oc2ccccc2)cc1 ZINC000423330480 337712319 /nfs/dbraw/zinc/71/23/19/337712319.db2.gz BYPHINPNHWNEAD-INIZCTEOSA-N 1 3 308.425 4.049 20 0 DIADHO Cc1ccc([C@H](NCCCC[NH3+])c2ccccc2Cl)cc1 ZINC000423343224 337712987 /nfs/dbraw/zinc/71/29/87/337712987.db2.gz ZQGFGSCHOUDPDR-SFHVURJKSA-N 1 3 302.849 4.066 20 0 DIADHO C[C@H](NCC1=CC[NH2+]CC1)c1cc2c(ccc3ccccc23)o1 ZINC000423349954 337713493 /nfs/dbraw/zinc/71/34/93/337713493.db2.gz XXXKYVCJDKOADY-AWEZNQCLSA-N 1 3 306.409 4.156 20 0 DIADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(C(F)(F)F)c1 ZINC000423354810 337713980 /nfs/dbraw/zinc/71/39/80/337713980.db2.gz HBVVCKVKSYRUAN-LBPRGKRZSA-N 1 3 320.358 4.159 20 0 DIADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)C(c1ccccc1)c1ccccc1 ZINC000423367574 337714849 /nfs/dbraw/zinc/71/48/49/337714849.db2.gz CUMVWFCUWLVNOZ-DBVUQKKJSA-N 1 3 308.469 4.067 20 0 DIADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000423384355 337717858 /nfs/dbraw/zinc/71/78/58/337717858.db2.gz LBPZXAHMTYZIJC-BZUAXINKSA-N 1 3 312.379 4.016 20 0 DIADHO Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423392452 337718318 /nfs/dbraw/zinc/71/83/18/337718318.db2.gz QFENAWCYWQADAR-GFCCVEGCSA-N 1 3 315.486 4.029 20 0 DIADHO Cc1nc(-c2cc([C@H](C)N[C@H]3CCC[C@H]([NH3+])C3)cs2)cs1 ZINC000423394326 337718544 /nfs/dbraw/zinc/71/85/44/337718544.db2.gz RFNVBAJJGITBQS-BPNCWPANSA-N 1 3 321.515 4.101 20 0 DIADHO C[C@H](NC[C@H]1CCC[C@H]([NH3+])C1)c1cc(Cl)sc1Cl ZINC000423455119 337720297 /nfs/dbraw/zinc/72/02/97/337720297.db2.gz DRUPYDFLJCARDD-GUBZILKMSA-N 1 3 307.290 4.223 20 0 DIADHO C[C@@H](CCC[NH3+])N[C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000423462244 337720629 /nfs/dbraw/zinc/72/06/29/337720629.db2.gz UDPDUDOKBINADI-WPRPVWTQSA-N 1 3 307.290 4.149 20 0 DIADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000423496473 337722924 /nfs/dbraw/zinc/72/29/24/337722924.db2.gz DYXQWSBLQYLDBN-YVEFUNNKSA-N 1 3 322.374 4.235 20 0 DIADHO CC[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cccc(OC)c1 ZINC000423498177 337723217 /nfs/dbraw/zinc/72/32/17/337723217.db2.gz HRQLAJUTNITOLC-UXHICEINSA-N 1 3 312.457 4.216 20 0 DIADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1nccc2ccccc21 ZINC000423500995 337723299 /nfs/dbraw/zinc/72/32/99/337723299.db2.gz CKXPVSYLAIBIBH-JXFKEZNVSA-N 1 3 319.452 4.366 20 0 DIADHO [NH3+]CCC[C@H](N[C@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000423499891 337723310 /nfs/dbraw/zinc/72/33/10/337723310.db2.gz BOJBUEFMMFTQCE-PMACEKPBSA-N 1 3 312.432 4.273 20 0 DIADHO [NH3+]CCC[C@@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccccc1 ZINC000423508443 337723779 /nfs/dbraw/zinc/72/37/79/337723779.db2.gz QTZZCOGLQPHWDC-MOPGFXCFSA-N 1 3 314.860 4.397 20 0 DIADHO COc1ccc([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)c(C)c1 ZINC000423508544 337723799 /nfs/dbraw/zinc/72/37/99/337723799.db2.gz KRFKNLIVQLPWDY-OXQOHEQNSA-N 1 3 312.457 4.134 20 0 DIADHO CN1CC[C@H]([NH2+][C@@H]2CCCc3sc(Cl)cc32)[C@H]2CCC[C@@H]21 ZINC000426312709 338026324 /nfs/dbraw/zinc/02/63/24/338026324.db2.gz KFXAGATVGZTMNN-RZFFKMDDSA-N 1 3 324.921 4.241 20 0 DIADHO C[N@@H+]1CC[C@H](N[C@@H]2CCCc3sc(Cl)cc32)[C@H]2CCC[C@@H]21 ZINC000426312709 338026325 /nfs/dbraw/zinc/02/63/25/338026325.db2.gz KFXAGATVGZTMNN-RZFFKMDDSA-N 1 3 324.921 4.241 20 0 DIADHO C[N@H+]1CC[C@H](N[C@@H]2CCCc3sc(Cl)cc32)[C@H]2CCC[C@@H]21 ZINC000426312709 338026326 /nfs/dbraw/zinc/02/63/26/338026326.db2.gz KFXAGATVGZTMNN-RZFFKMDDSA-N 1 3 324.921 4.241 20 0 DIADHO CCCc1cc(N2CCC[C@H]([NH+](C)C)CC2)c2ccccc2n1 ZINC000428693048 338058589 /nfs/dbraw/zinc/05/85/89/338058589.db2.gz PQNUHENVPANZGB-KRWDZBQOSA-N 1 3 311.473 4.108 20 0 DIADHO CCCc1cc(N2CCC[C@@H]([NH+](C)C)CC2)c2ccccc2n1 ZINC000428693049 338058656 /nfs/dbraw/zinc/05/86/56/338058656.db2.gz PQNUHENVPANZGB-QGZVFWFLSA-N 1 3 311.473 4.108 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000436232942 338262636 /nfs/dbraw/zinc/26/26/36/338262636.db2.gz QLPYIFJPWRNFGN-MISYRCLQSA-N 1 3 300.490 4.033 20 0 DIADHO C[C@@H]1C[C@@H](c2ccccc2)CCN1CCC[NH+]1CCCCC1 ZINC000439311639 338366797 /nfs/dbraw/zinc/36/67/97/338366797.db2.gz CDBGFMFYWIEMSF-QUCCMNQESA-N 1 3 300.490 4.131 20 0 DIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCCC(C)(F)F)CC2)C1 ZINC000449349820 338616381 /nfs/dbraw/zinc/61/63/81/338616381.db2.gz IGTBICLDVIURMS-GDBMZVCRSA-N 1 3 302.453 4.055 20 0 DIADHO C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000459475572 339031482 /nfs/dbraw/zinc/03/14/82/339031482.db2.gz YVNKARUWPISPKG-SAJDGTNDSA-N 1 3 312.501 4.033 20 0 DIADHO Cc1cccc2c1ncc(C)c2N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000462507898 339080321 /nfs/dbraw/zinc/08/03/21/339080321.db2.gz GRFSUPWMTFTGNW-SFHVURJKSA-N 1 3 323.484 4.306 20 0 DIADHO Clc1ccccc1CN1CCC(C[NH2+]C2CCCCC2)CC1 ZINC000462745808 339086548 /nfs/dbraw/zinc/08/65/48/339086548.db2.gz QLEFQEDPPMACTL-UHFFFAOYSA-N 1 3 320.908 4.474 20 0 DIADHO FCCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000462821688 339092103 /nfs/dbraw/zinc/09/21/03/339092103.db2.gz MKXPYFUNEXLZTO-HSALFYBXSA-N 1 3 318.480 4.017 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000463023174 339101045 /nfs/dbraw/zinc/10/10/45/339101045.db2.gz GYPZXIVDTQGACQ-IAGOWNOFSA-N 1 3 318.505 4.246 20 0 DIADHO C[C@@H]1[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000463561296 339121407 /nfs/dbraw/zinc/12/14/07/339121407.db2.gz ZNQHGGFBGNRBKT-BMGDILEWSA-N 1 3 300.490 4.077 20 0 DIADHO C[C@@H]1[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H]1c1ccccc1 ZINC000463561296 339121408 /nfs/dbraw/zinc/12/14/08/339121408.db2.gz ZNQHGGFBGNRBKT-BMGDILEWSA-N 1 3 300.490 4.077 20 0 DIADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)C1 ZINC000464061975 339132441 /nfs/dbraw/zinc/13/24/41/339132441.db2.gz LZODKSAYZGTGJT-MANSERQUSA-N 1 3 300.490 4.031 20 0 DIADHO C[C@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)CN1CCCCC1 ZINC000466369985 339201136 /nfs/dbraw/zinc/20/11/36/339201136.db2.gz IHODELRHHQJAOV-QQFBHYJXSA-N 1 3 320.443 4.067 20 0 DIADHO C[C@@H]1CCCCN1CCC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466464010 339206220 /nfs/dbraw/zinc/20/62/20/339206220.db2.gz PUXZAQXNFQDZEQ-QQFBHYJXSA-N 1 3 320.443 4.209 20 0 DIADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000467833449 339247082 /nfs/dbraw/zinc/24/70/82/339247082.db2.gz ZQRIVYFSZINLSE-CABCVRRESA-N 1 3 310.432 4.128 20 0 DIADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000467833449 339247083 /nfs/dbraw/zinc/24/70/83/339247083.db2.gz ZQRIVYFSZINLSE-CABCVRRESA-N 1 3 310.432 4.128 20 0 DIADHO CCCCOc1ccccc1C[N@H+](C)[C@H]1CCN(CC)C[C@H]1C ZINC000468392424 339261530 /nfs/dbraw/zinc/26/15/30/339261530.db2.gz LGWMMFDTJFIKTJ-MJGOQNOKSA-N 1 3 318.505 4.028 20 0 DIADHO CCCCOc1ccccc1C[N@@H+](C)[C@H]1CCN(CC)C[C@H]1C ZINC000468392424 339261531 /nfs/dbraw/zinc/26/15/31/339261531.db2.gz LGWMMFDTJFIKTJ-MJGOQNOKSA-N 1 3 318.505 4.028 20 0 DIADHO CCCCOc1ccccc1C[N@H+](C)[C@H]1CCN(CC)C[C@@H]1C ZINC000468392422 339261642 /nfs/dbraw/zinc/26/16/42/339261642.db2.gz LGWMMFDTJFIKTJ-HKUYNNGSSA-N 1 3 318.505 4.028 20 0 DIADHO CCCCOc1ccccc1C[N@@H+](C)[C@H]1CCN(CC)C[C@@H]1C ZINC000468392422 339261643 /nfs/dbraw/zinc/26/16/43/339261643.db2.gz LGWMMFDTJFIKTJ-HKUYNNGSSA-N 1 3 318.505 4.028 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000469126545 339280899 /nfs/dbraw/zinc/28/08/99/339280899.db2.gz XYGXWFNNZFLEFU-QAPCUYQASA-N 1 3 306.881 4.113 20 0 DIADHO CC[N@@H+]1CC[C@H](CN[C@@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000469126545 339280900 /nfs/dbraw/zinc/28/09/00/339280900.db2.gz XYGXWFNNZFLEFU-QAPCUYQASA-N 1 3 306.881 4.113 20 0 DIADHO CC[N@H+]1CC[C@H](CN[C@@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000469126545 339280901 /nfs/dbraw/zinc/28/09/01/339280901.db2.gz XYGXWFNNZFLEFU-QAPCUYQASA-N 1 3 306.881 4.113 20 0 DIADHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC000469847656 339302488 /nfs/dbraw/zinc/30/24/88/339302488.db2.gz ZKQDMQOCISUIDP-STQMWFEESA-N 1 3 320.889 4.238 20 0 DIADHO C[NH+](C)CCCC1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000470768519 339327249 /nfs/dbraw/zinc/32/72/49/339327249.db2.gz AMMDXTOBLBUYKE-UHFFFAOYSA-N 1 3 310.432 4.178 20 0 DIADHO Cc1cc(Cl)cc(C)c1CN1CCCC12CC[NH+](C)CC2 ZINC000472602249 339375074 /nfs/dbraw/zinc/37/50/74/339375074.db2.gz PLTPUGXSIDPONT-UHFFFAOYSA-N 1 3 306.881 4.017 20 0 DIADHO Cc1cc(Cl)cc(C)c1C[N@H+]1CCCC12CCN(C)CC2 ZINC000472602249 339375075 /nfs/dbraw/zinc/37/50/75/339375075.db2.gz PLTPUGXSIDPONT-UHFFFAOYSA-N 1 3 306.881 4.017 20 0 DIADHO Cc1cc(Cl)cc(C)c1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000472602249 339375076 /nfs/dbraw/zinc/37/50/76/339375076.db2.gz PLTPUGXSIDPONT-UHFFFAOYSA-N 1 3 306.881 4.017 20 0 DIADHO C[C@H](CC[NH2+][C@@H](C)C1CCC(F)(F)CC1)N1CCCCC1 ZINC000474046023 339398874 /nfs/dbraw/zinc/39/88/74/339398874.db2.gz RNMBCHIIHFMGHF-CABCVRRESA-N 1 3 302.453 4.055 20 0 DIADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C1CCSCC1 ZINC000474796488 339426329 /nfs/dbraw/zinc/42/63/29/339426329.db2.gz ATWISSMUVRHSOE-SZMVWBNQSA-N 1 3 312.567 4.008 20 0 DIADHO CC(C)[C@@H]1CCC[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000474877877 339429496 /nfs/dbraw/zinc/42/94/96/339429496.db2.gz IPPGSHKEBUVIJL-MOPGFXCFSA-N 1 3 315.505 4.102 20 0 DIADHO CC[C@H](NCCC1CC[NH+](CC)CC1)c1cc(F)ccc1F ZINC000483735611 339673441 /nfs/dbraw/zinc/67/34/41/339673441.db2.gz RBMSKVCBXCPFJJ-SFHVURJKSA-N 1 3 310.432 4.128 20 0 DIADHO CCC[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccccn1 ZINC000500651303 340064494 /nfs/dbraw/zinc/06/44/94/340064494.db2.gz MYVMAZZHXTXNSV-QZTJIDSGSA-N 1 3 303.494 4.167 20 0 DIADHO CCC[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccccn1 ZINC000500651303 340064495 /nfs/dbraw/zinc/06/44/95/340064495.db2.gz MYVMAZZHXTXNSV-QZTJIDSGSA-N 1 3 303.494 4.167 20 0 DIADHO CC(C)Oc1ccccc1CNCCCCC[NH+]1CCCCC1 ZINC000500913778 340069856 /nfs/dbraw/zinc/06/98/56/340069856.db2.gz CPBMKMMLFXUWGJ-UHFFFAOYSA-N 1 3 318.505 4.220 20 0 DIADHO C[C@H]([NH2+]CCSC1CCCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000501064296 340073519 /nfs/dbraw/zinc/07/35/19/340073519.db2.gz PXASMRXUMFUONP-DLBZAZTESA-N 1 3 324.578 4.295 20 0 DIADHO C[C@H](NCCSC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501064296 340073520 /nfs/dbraw/zinc/07/35/20/340073520.db2.gz PXASMRXUMFUONP-DLBZAZTESA-N 1 3 324.578 4.295 20 0 DIADHO C[C@H](NCCSC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000501064296 340073521 /nfs/dbraw/zinc/07/35/21/340073521.db2.gz PXASMRXUMFUONP-DLBZAZTESA-N 1 3 324.578 4.295 20 0 DIADHO Cc1ccccc1[C@H](C)[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501067567 340073695 /nfs/dbraw/zinc/07/36/95/340073695.db2.gz JALRFYDFCZCUFJ-SFHVURJKSA-N 1 3 323.484 4.299 20 0 DIADHO Cc1ccccc1[C@H](C)[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000501067567 340073696 /nfs/dbraw/zinc/07/36/96/340073696.db2.gz JALRFYDFCZCUFJ-SFHVURJKSA-N 1 3 323.484 4.299 20 0 DIADHO CC(C)Oc1ccc(CN2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000501792851 340088787 /nfs/dbraw/zinc/08/87/87/340088787.db2.gz GCKKRBQWOSFMIZ-UHFFFAOYSA-N 1 3 318.505 4.028 20 0 DIADHO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000502284673 340098730 /nfs/dbraw/zinc/09/87/30/340098730.db2.gz HFBKWMFAEJKYPG-NEWSRXKRSA-N 1 3 318.530 4.128 20 0 DIADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CC[C@H]1CCCN1C ZINC000502703032 340111412 /nfs/dbraw/zinc/11/14/12/340111412.db2.gz UPTXRQXOIJPLEG-XJKSGUPXSA-N 1 3 314.395 4.183 20 0 DIADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CC[C@H]1CCCN1C ZINC000502703032 340111413 /nfs/dbraw/zinc/11/14/13/340111413.db2.gz UPTXRQXOIJPLEG-XJKSGUPXSA-N 1 3 314.395 4.183 20 0 DIADHO Cc1ccc2c(C3=CC[N@H+](CC[C@H]4CCCN4C)CC3)c[nH]c2c1 ZINC000503052757 340119800 /nfs/dbraw/zinc/11/98/00/340119800.db2.gz MBOUDJLREUJSRJ-GOSISDBHSA-N 1 3 323.484 4.050 20 0 DIADHO Cc1ccc2c(C3=CC[N@@H+](CC[C@H]4CCCN4C)CC3)c[nH]c2c1 ZINC000503052757 340119801 /nfs/dbraw/zinc/11/98/01/340119801.db2.gz MBOUDJLREUJSRJ-GOSISDBHSA-N 1 3 323.484 4.050 20 0 DIADHO CCc1cccnc1[C@@H](C)NCC1CC[NH+](CCC(C)C)CC1 ZINC000507505076 340223090 /nfs/dbraw/zinc/22/30/90/340223090.db2.gz DMUIFLNKSPIGQF-QGZVFWFLSA-N 1 3 317.521 4.053 20 0 DIADHO CCCN1CCC([N@H+](C)C/C=C\c2ccc(Cl)cc2)CC1 ZINC000510467054 340300274 /nfs/dbraw/zinc/30/02/74/340300274.db2.gz FZKHMYNYRUPVLL-PLNGDYQASA-N 1 3 306.881 4.159 20 0 DIADHO CCCN1CCC([N@@H+](C)C/C=C\c2ccc(Cl)cc2)CC1 ZINC000510467054 340300275 /nfs/dbraw/zinc/30/02/75/340300275.db2.gz FZKHMYNYRUPVLL-PLNGDYQASA-N 1 3 306.881 4.159 20 0 DIADHO COCC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)C(C)(C)C ZINC000510996772 340317525 /nfs/dbraw/zinc/31/75/25/340317525.db2.gz UNWDVDVOMZUDSV-QRQLOZEOSA-N 1 3 324.553 4.070 20 0 DIADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000511454562 340327551 /nfs/dbraw/zinc/32/75/51/340327551.db2.gz OEOAIHXDUFFIPP-GRAKBVBRSA-N 1 3 306.881 4.048 20 0 DIADHO C[NH+](C)[C@H]1CCC[C@H](NC2CC(c3ccccc3Cl)C2)C1 ZINC000511454562 340327552 /nfs/dbraw/zinc/32/75/52/340327552.db2.gz OEOAIHXDUFFIPP-GRAKBVBRSA-N 1 3 306.881 4.048 20 0 DIADHO Cc1cccc2c1CC[C@@H]2N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512316491 340356676 /nfs/dbraw/zinc/35/66/76/340356676.db2.gz ZKKPTLDHDPZVAK-LZJOCLMNSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1cccc2c1CC[C@@H]2N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512316491 340356677 /nfs/dbraw/zinc/35/66/77/340356677.db2.gz ZKKPTLDHDPZVAK-LZJOCLMNSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000512316491 340356678 /nfs/dbraw/zinc/35/66/78/340356678.db2.gz ZKKPTLDHDPZVAK-LZJOCLMNSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1ccc(CC[C@@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)o1 ZINC000512979000 340386649 /nfs/dbraw/zinc/38/66/49/340386649.db2.gz AFKGJEDLUBMFPT-MRXNPFEDSA-N 1 3 318.505 4.296 20 0 DIADHO Cc1ccc(CC[C@@H](C)NC2CC[NH+](C3CCCCC3)CC2)o1 ZINC000512979000 340386650 /nfs/dbraw/zinc/38/66/50/340386650.db2.gz AFKGJEDLUBMFPT-MRXNPFEDSA-N 1 3 318.505 4.296 20 0 DIADHO CC[N@@H+]1CCC[C@H](CNC/C(C)=C/c2ccc(Cl)cc2)C1 ZINC000512984624 340386947 /nfs/dbraw/zinc/38/69/47/340386947.db2.gz IEIABIKDCMNUCE-GSPCDJLXSA-N 1 3 306.881 4.065 20 0 DIADHO CC[N@H+]1CCC[C@H](CNC/C(C)=C/c2ccc(Cl)cc2)C1 ZINC000512984624 340386948 /nfs/dbraw/zinc/38/69/48/340386948.db2.gz IEIABIKDCMNUCE-GSPCDJLXSA-N 1 3 306.881 4.065 20 0 DIADHO CCN1CCC[C@H](C[NH2+]C/C(C)=C/c2ccc(Cl)cc2)C1 ZINC000512984624 340386949 /nfs/dbraw/zinc/38/69/49/340386949.db2.gz IEIABIKDCMNUCE-GSPCDJLXSA-N 1 3 306.881 4.065 20 0 DIADHO CC[N@@H+]1CCC[C@H](CNC/C(C)=C\c2ccc(Cl)cc2)C1 ZINC000512984626 340386986 /nfs/dbraw/zinc/38/69/86/340386986.db2.gz IEIABIKDCMNUCE-JBXOJTMHSA-N 1 3 306.881 4.065 20 0 DIADHO CC[N@H+]1CCC[C@H](CNC/C(C)=C\c2ccc(Cl)cc2)C1 ZINC000512984626 340386987 /nfs/dbraw/zinc/38/69/87/340386987.db2.gz IEIABIKDCMNUCE-JBXOJTMHSA-N 1 3 306.881 4.065 20 0 DIADHO CCN1CCC[C@H](C[NH2+]C/C(C)=C\c2ccc(Cl)cc2)C1 ZINC000512984626 340386988 /nfs/dbraw/zinc/38/69/88/340386988.db2.gz IEIABIKDCMNUCE-JBXOJTMHSA-N 1 3 306.881 4.065 20 0 DIADHO Cc1[nH]c2ccc(C[NH2+]C3CCN(C(C)(C)C)CC3)cc2c1C ZINC000513070771 340392004 /nfs/dbraw/zinc/39/20/04/340392004.db2.gz SPXLFHNVEIQUSE-UHFFFAOYSA-N 1 3 313.489 4.137 20 0 DIADHO CC[NH+](CC)Cc1cccc(CNCc2ccc(C)cc2C)c1 ZINC000513109820 340393620 /nfs/dbraw/zinc/39/36/20/340393620.db2.gz GDXIFTNINRGWEO-UHFFFAOYSA-N 1 3 310.485 4.435 20 0 DIADHO CCC[NH+]1CCC(CNCc2ccc(Cl)cc2Cl)CC1 ZINC000517548318 340471861 /nfs/dbraw/zinc/47/18/61/340471861.db2.gz LYDJZYJXZARQOT-UHFFFAOYSA-N 1 3 315.288 4.205 20 0 DIADHO CC[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000537937688 340791905 /nfs/dbraw/zinc/79/19/05/340791905.db2.gz VZTCGZYNVSKMOM-FQEVSTJZSA-N 1 3 315.505 4.247 20 0 DIADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CCCCCC1 ZINC000542470940 341008775 /nfs/dbraw/zinc/00/87/75/341008775.db2.gz MWWLTOYXUDFZPQ-QGZVFWFLSA-N 1 3 315.505 4.247 20 0 DIADHO CC[NH+]1CCC(CCN[C@@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000542662797 341015962 /nfs/dbraw/zinc/01/59/62/341015962.db2.gz LJQDEYDIWRSXSN-LJQANCHMSA-N 1 3 304.478 4.141 20 0 DIADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1cc(Cl)ccc1Cl ZINC000130629519 341034632 /nfs/dbraw/zinc/03/46/32/341034632.db2.gz MDMJKINARDTGRW-GFCCVEGCSA-N 1 3 315.288 4.376 20 0 DIADHO CC[NH+](CC)CCCC1CCN(C[C@H](C)C(F)(F)F)CC1 ZINC000543873113 341062134 /nfs/dbraw/zinc/06/21/34/341062134.db2.gz PNWZYXOEZKHEFF-AWEZNQCLSA-N 1 3 308.432 4.019 20 0 DIADHO CCN(CC)CCC[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000131473963 341090851 /nfs/dbraw/zinc/09/08/51/341090851.db2.gz NILBDBQJIDGJNR-KRWDZBQOSA-N 1 3 311.473 4.131 20 0 DIADHO Cc1cccc(C)c1[C@@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000546228608 341158071 /nfs/dbraw/zinc/15/80/71/341158071.db2.gz NFIFFTSCSCLXGJ-QGZVFWFLSA-N 1 3 300.490 4.361 20 0 DIADHO Cc1cc(Cl)ccc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000547361157 341208806 /nfs/dbraw/zinc/20/88/06/341208806.db2.gz NLOFEGZEDSEQOO-UHFFFAOYSA-N 1 3 308.897 4.201 20 0 DIADHO Cc1cc(Cl)ccc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000547361157 341208807 /nfs/dbraw/zinc/20/88/07/341208807.db2.gz NLOFEGZEDSEQOO-UHFFFAOYSA-N 1 3 308.897 4.201 20 0 DIADHO Cc1cccc2c1[C@H](C)C[C@@H]2NCc1ccc(C[NH+](C)C)cc1 ZINC000152641525 341213708 /nfs/dbraw/zinc/21/37/08/341213708.db2.gz SFARARYYWVUWGF-UZLBHIALSA-N 1 3 308.469 4.395 20 0 DIADHO CSc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000245455507 341295102 /nfs/dbraw/zinc/29/51/02/341295102.db2.gz IESXJZHEBZRHFF-HZPDHXFCSA-N 1 3 306.519 4.180 20 0 DIADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000549613282 341298963 /nfs/dbraw/zinc/29/89/63/341298963.db2.gz CXINAQDYMHWCOL-QCFAMHMHSA-N 1 3 314.517 4.136 20 0 DIADHO CCc1cnccc1[C@H](C)N[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551083650 341331137 /nfs/dbraw/zinc/33/11/37/341331137.db2.gz KIJLJIPUOOOWKP-NBHGPNQESA-N 1 3 323.484 4.130 20 0 DIADHO CCc1cnccc1[C@H](C)N[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551083650 341331138 /nfs/dbraw/zinc/33/11/38/341331138.db2.gz KIJLJIPUOOOWKP-NBHGPNQESA-N 1 3 323.484 4.130 20 0 DIADHO CCOc1ccccc1[C@H](C)NCCCCC[NH+]1CCCC1 ZINC000551263866 341335989 /nfs/dbraw/zinc/33/59/89/341335989.db2.gz VEBRGMFPBXQEHU-KRWDZBQOSA-N 1 3 304.478 4.002 20 0 DIADHO Cc1ccccc1C[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)C1CC1 ZINC000551530960 341344186 /nfs/dbraw/zinc/34/41/86/341344186.db2.gz ZNNFGKAWXFVOSO-GHTZIAJQSA-N 1 3 314.517 4.026 20 0 DIADHO C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246747597 341356764 /nfs/dbraw/zinc/35/67/64/341356764.db2.gz FRQWAPDAIXZARS-KBPBESRZSA-N 1 3 314.395 4.040 20 0 DIADHO C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246747597 341356765 /nfs/dbraw/zinc/35/67/65/341356765.db2.gz FRQWAPDAIXZARS-KBPBESRZSA-N 1 3 314.395 4.040 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)s2)C1 ZINC000246989506 341359651 /nfs/dbraw/zinc/35/96/51/341359651.db2.gz KNXDNVZRMQPHIP-OLZOCXBDSA-N 1 3 300.899 4.173 20 0 DIADHO Cc1ccccc1[C@H](C)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248396026 341376503 /nfs/dbraw/zinc/37/65/03/341376503.db2.gz GRFNZKPMNHBKLH-SQNIBIBYSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccccc1[C@H](C)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248396026 341376504 /nfs/dbraw/zinc/37/65/04/341376504.db2.gz GRFNZKPMNHBKLH-SQNIBIBYSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccccc1[C@H](C)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248396026 341376505 /nfs/dbraw/zinc/37/65/05/341376505.db2.gz GRFNZKPMNHBKLH-SQNIBIBYSA-N 1 3 300.490 4.299 20 0 DIADHO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248400482 341376685 /nfs/dbraw/zinc/37/66/85/341376685.db2.gz KXZSJJQURGJYMZ-HBFSDRIKSA-N 1 3 314.517 4.250 20 0 DIADHO Cc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000248406675 341376820 /nfs/dbraw/zinc/37/68/20/341376820.db2.gz SSZSCNQWGPROOU-PMPSAXMXSA-N 1 3 306.519 4.360 20 0 DIADHO Cc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000248406675 341376821 /nfs/dbraw/zinc/37/68/21/341376821.db2.gz SSZSCNQWGPROOU-PMPSAXMXSA-N 1 3 306.519 4.360 20 0 DIADHO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)s1 ZINC000248406675 341376822 /nfs/dbraw/zinc/37/68/22/341376822.db2.gz SSZSCNQWGPROOU-PMPSAXMXSA-N 1 3 306.519 4.360 20 0 DIADHO Cc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000248408537 341377016 /nfs/dbraw/zinc/37/70/16/341377016.db2.gz VPHBYAIICHPPAD-LNLFQRSKSA-N 1 3 300.490 4.299 20 0 DIADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)c1ccccc1 ZINC000248542539 341379597 /nfs/dbraw/zinc/37/95/97/341379597.db2.gz BZZDHYGIZVKXJY-AOIWGVFYSA-N 1 3 300.490 4.033 20 0 DIADHO CSc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000249434339 341397614 /nfs/dbraw/zinc/39/76/14/341397614.db2.gz FAZCYIVPVDRPSC-CVEARBPZSA-N 1 3 306.519 4.180 20 0 DIADHO COc1ccc([C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1Cl ZINC000552549896 341398395 /nfs/dbraw/zinc/39/83/95/341398395.db2.gz CDGJLCJUPZGLTD-ZDUSSCGKSA-N 1 3 324.896 4.262 20 0 DIADHO C[C@@H](Cc1cccs1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000552561737 341398906 /nfs/dbraw/zinc/39/89/06/341398906.db2.gz ABOXHBPLCOPECL-HNNXBMFYSA-N 1 3 306.519 4.066 20 0 DIADHO C[C@@H](Cc1cccs1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000552561737 341398907 /nfs/dbraw/zinc/39/89/07/341398907.db2.gz ABOXHBPLCOPECL-HNNXBMFYSA-N 1 3 306.519 4.066 20 0 DIADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1cccc2[nH]ccc21 ZINC000236659283 519630306 /nfs/dbraw/zinc/63/03/06/519630306.db2.gz NOQZBPJHDZHBDB-UHFFFAOYSA-N 1 3 321.468 4.298 20 0 DIADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1cccc2[nH]ccc21 ZINC000236659283 519630308 /nfs/dbraw/zinc/63/03/08/519630308.db2.gz NOQZBPJHDZHBDB-UHFFFAOYSA-N 1 3 321.468 4.298 20 0 DIADHO CC(C)[NH+]1CCC(N[C@@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000180404918 519673193 /nfs/dbraw/zinc/67/31/93/519673193.db2.gz OCALOZMQCAQYBV-KRWDZBQOSA-N 1 3 323.484 4.272 20 0 DIADHO CCc1nc(C)c([C@H](C)NCCCC[N@@H+]2CCC[C@H](C)C2)s1 ZINC000157909063 522231140 /nfs/dbraw/zinc/23/11/40/522231140.db2.gz CGJINFXFHJNPDR-GJZGRUSLSA-N 1 3 323.550 4.177 20 0 DIADHO CCc1nc(C)c([C@H](C)NCCCC[N@H+]2CCC[C@H](C)C2)s1 ZINC000157909063 522231148 /nfs/dbraw/zinc/23/11/48/522231148.db2.gz CGJINFXFHJNPDR-GJZGRUSLSA-N 1 3 323.550 4.177 20 0 DIADHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cccnc1Cl ZINC000157861774 525334612 /nfs/dbraw/zinc/33/46/12/525334612.db2.gz QGVLGGDYSXJOKG-CABCVRRESA-N 1 3 309.885 4.040 20 0 DIADHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cccnc1Cl ZINC000157861774 525334623 /nfs/dbraw/zinc/33/46/23/525334623.db2.gz QGVLGGDYSXJOKG-CABCVRRESA-N 1 3 309.885 4.040 20 0 DIADHO c1nc(C2CCCC2)sc1CNCCCCC[NH+]1CCCC1 ZINC000339500066 526595073 /nfs/dbraw/zinc/59/50/73/526595073.db2.gz MCXWWEFLVZOCDI-UHFFFAOYSA-N 1 3 321.534 4.156 20 0 DIADHO Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000183192991 1035893900 /nfs/dbraw/zinc/89/39/00/1035893900.db2.gz SSZSCNQWGPROOU-OWCLPIDISA-N 1 3 306.519 4.360 20 0 DIADHO Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000183192991 1035893917 /nfs/dbraw/zinc/89/39/17/1035893917.db2.gz SSZSCNQWGPROOU-OWCLPIDISA-N 1 3 306.519 4.360 20 0 DIADHO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)s1 ZINC000183192991 1035893939 /nfs/dbraw/zinc/89/39/39/1035893939.db2.gz SSZSCNQWGPROOU-OWCLPIDISA-N 1 3 306.519 4.360 20 0 DIADHO CSc1ccc([C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000037786232 1036133479 /nfs/dbraw/zinc/13/34/79/1036133479.db2.gz HWHDALKHIBEVMN-AWEZNQCLSA-N 1 3 306.519 4.322 20 0 DIADHO CC(C)[C@H]1C[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CS1 ZINC000754125267 1036286773 /nfs/dbraw/zinc/28/67/73/1036286773.db2.gz WXTLPKLEGOUVSF-RBUKOAKNSA-N 1 3 324.578 4.151 20 0 DIADHO CC(C)[C@H]1C[C@H](NC2CC[NH+](CC3CCCCC3)CC2)CS1 ZINC000754125267 1036286789 /nfs/dbraw/zinc/28/67/89/1036286789.db2.gz WXTLPKLEGOUVSF-RBUKOAKNSA-N 1 3 324.578 4.151 20 0 DIADHO c1ccc([C@@H]2C[C@@H]2C[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000121222974 1036582230 /nfs/dbraw/zinc/58/22/30/1036582230.db2.gz WKWPSGBKBIPNIE-NQIIRXRSSA-N 1 3 312.501 4.177 20 0 DIADHO C[C@H]1CC[N@H+](Cc2ccccc2-c2ccc(Cl)cc2)CCN1 ZINC001210495791 1036740799 /nfs/dbraw/zinc/74/07/99/1036740799.db2.gz BVUQLSHKAWMDOJ-HNNXBMFYSA-N 1 3 314.860 4.191 20 0 DIADHO C[C@H]1CC[N@@H+](Cc2ccccc2-c2ccc(Cl)cc2)CCN1 ZINC001210495791 1036740818 /nfs/dbraw/zinc/74/08/18/1036740818.db2.gz BVUQLSHKAWMDOJ-HNNXBMFYSA-N 1 3 314.860 4.191 20 0 DIADHO CCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398023175 1037082926 /nfs/dbraw/zinc/08/29/26/1037082926.db2.gz KWHYCSMFSXAMGL-AVRDEDQJSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398023175 1037082941 /nfs/dbraw/zinc/08/29/41/1037082941.db2.gz KWHYCSMFSXAMGL-AVRDEDQJSA-N 1 3 322.496 4.249 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCc3c2cccc3Cl)cc1 ZINC000564821988 1037086790 /nfs/dbraw/zinc/08/67/90/1037086790.db2.gz AKAPHYPAVJWBLS-XIKOKIGWSA-N 1 3 300.833 4.137 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000564823047 1037093936 /nfs/dbraw/zinc/09/39/36/1037093936.db2.gz WWCDTHSTKBNADB-MAUKXSAKSA-N 1 3 301.478 4.002 20 0 DIADHO c1c2ccccc2[nH]c1CNCc1cccc(C[NH+]2CCCC2)c1 ZINC000683927298 1037110503 /nfs/dbraw/zinc/11/05/03/1037110503.db2.gz JYABGWPPRXDEJI-UHFFFAOYSA-N 1 3 319.452 4.054 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCc3ccc(F)cc32)c1 ZINC000123949929 1037591196 /nfs/dbraw/zinc/59/11/96/1037591196.db2.gz DIYLPVREPQBGAU-FQEVSTJZSA-N 1 3 312.432 4.055 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCc3ccc(F)cc32)c1 ZINC000123949929 1037591210 /nfs/dbraw/zinc/59/12/10/1037591210.db2.gz DIYLPVREPQBGAU-FQEVSTJZSA-N 1 3 312.432 4.055 20 0 DIADHO c1cc2c(s1)CCC[C@@H]2N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491457 1037778310 /nfs/dbraw/zinc/77/83/10/1037778310.db2.gz LUHQWDLGUKCUOI-XBVQOTNRSA-N 1 3 304.503 4.026 20 0 DIADHO C[C@@H](CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccccc1 ZINC000604902873 1038459689 /nfs/dbraw/zinc/45/96/89/1038459689.db2.gz GKLKTWFFZFZKGC-PMACEKPBSA-N 1 3 314.517 4.234 20 0 DIADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C(F)F)c(F)c2)C[C@@H]1C ZINC000892102086 1038514680 /nfs/dbraw/zinc/51/46/80/1038514680.db2.gz CJDJYUZVCZAQCO-GXTWGEPZSA-N 1 3 314.395 4.068 20 0 DIADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C(F)F)c(F)c2)C[C@@H]1C ZINC000892102086 1038514691 /nfs/dbraw/zinc/51/46/91/1038514691.db2.gz CJDJYUZVCZAQCO-GXTWGEPZSA-N 1 3 314.395 4.068 20 0 DIADHO CC[N@H+](C)Cc1cccc(CNCc2cc3c(cccc3C)[nH]2)c1 ZINC000657348098 1038589184 /nfs/dbraw/zinc/58/91/84/1038589184.db2.gz KKMKRLNXAVUMRY-UHFFFAOYSA-N 1 3 321.468 4.218 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CNCc2cc3c(cccc3C)[nH]2)c1 ZINC000657348098 1038589188 /nfs/dbraw/zinc/58/91/88/1038589188.db2.gz KKMKRLNXAVUMRY-UHFFFAOYSA-N 1 3 321.468 4.218 20 0 DIADHO C[C@H](Cc1cccs1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000684773102 1038597060 /nfs/dbraw/zinc/59/70/60/1038597060.db2.gz CDMOWBWMBIWLAA-WBVHZDCISA-N 1 3 306.519 4.066 20 0 DIADHO C[C@H](Cc1cccs1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000684773102 1038597064 /nfs/dbraw/zinc/59/70/64/1038597064.db2.gz CDMOWBWMBIWLAA-WBVHZDCISA-N 1 3 306.519 4.066 20 0 DIADHO Cc1ccc2ccccc2c1CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001167599812 1038760331 /nfs/dbraw/zinc/76/03/31/1038760331.db2.gz ZSCLTQRZXWFYOP-IBGZPJMESA-N 1 3 322.496 4.312 20 0 DIADHO Cc1ccc2ccccc2c1CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001167599812 1038760336 /nfs/dbraw/zinc/76/03/36/1038760336.db2.gz ZSCLTQRZXWFYOP-IBGZPJMESA-N 1 3 322.496 4.312 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CC1CCC(F)(F)CC1 ZINC001207346752 1039085101 /nfs/dbraw/zinc/08/51/01/1039085101.db2.gz AAROEWSSZFVYRL-DLBZAZTESA-N 1 3 314.464 4.151 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1CC1CCC(F)(F)CC1 ZINC001207346752 1039085120 /nfs/dbraw/zinc/08/51/20/1039085120.db2.gz AAROEWSSZFVYRL-DLBZAZTESA-N 1 3 314.464 4.151 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000539499525 1039274284 /nfs/dbraw/zinc/27/42/84/1039274284.db2.gz GVAXIUWQDQAHJV-CRAIPNDOSA-N 1 3 306.469 4.234 20 0 DIADHO CC[N@@H+]1CC[C@H](CN[C@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000539499525 1039274300 /nfs/dbraw/zinc/27/43/00/1039274300.db2.gz GVAXIUWQDQAHJV-CRAIPNDOSA-N 1 3 306.469 4.234 20 0 DIADHO CC[N@H+]1CC[C@H](CN[C@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000539499525 1039274325 /nfs/dbraw/zinc/27/43/25/1039274325.db2.gz GVAXIUWQDQAHJV-CRAIPNDOSA-N 1 3 306.469 4.234 20 0 DIADHO CCOc1cccc2cc([C@H](C)[NH2+]CC(C)(C)CN(C)C)oc21 ZINC000539498025 1039275746 /nfs/dbraw/zinc/27/57/46/1039275746.db2.gz CNYRFZKYEXRUAK-AWEZNQCLSA-N 1 3 318.461 4.070 20 0 DIADHO CCOc1cccc2cc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)oc21 ZINC000539498028 1039275811 /nfs/dbraw/zinc/27/58/11/1039275811.db2.gz CNYRFZKYEXRUAK-CQSZACIVSA-N 1 3 318.461 4.070 20 0 DIADHO CC(C)[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1cc2ccccc2o1 ZINC000539547084 1039286839 /nfs/dbraw/zinc/28/68/39/1039286839.db2.gz NTHFUBGDHFFWMU-HNAYVOBHSA-N 1 3 300.446 4.061 20 0 DIADHO CC(C)[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cc2ccccc2o1 ZINC000539547084 1039286846 /nfs/dbraw/zinc/28/68/46/1039286846.db2.gz NTHFUBGDHFFWMU-HNAYVOBHSA-N 1 3 300.446 4.061 20 0 DIADHO C[NH2+]Cc1ccccc1CNCc1cc(Cl)cc(Cl)c1 ZINC000650718849 1039380056 /nfs/dbraw/zinc/38/00/56/1039380056.db2.gz XWAJZTAJZBIHDK-UHFFFAOYSA-N 1 3 309.240 4.003 20 0 DIADHO C[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccsc1 ZINC000669851362 1039395096 /nfs/dbraw/zinc/39/50/96/1039395096.db2.gz NBGVJLSEUVBEJV-LSDHHAIUSA-N 1 3 318.486 4.100 20 0 DIADHO C[C@@H](NCCC1CC[NH2+]CC1)c1cc(Cl)sc1Cl ZINC000650764376 1039486141 /nfs/dbraw/zinc/48/61/41/1039486141.db2.gz XCDAAUOQMCHVQI-SECBINFHSA-N 1 3 307.290 4.095 20 0 DIADHO CC(C)C[C@H](NCc1ccc(C[NH3+])cc1F)c1cccs1 ZINC000650753911 1039455583 /nfs/dbraw/zinc/45/55/83/1039455583.db2.gz XZYVPXLIIHXGTO-INIZCTEOSA-N 1 3 306.450 4.223 20 0 DIADHO C[C@@H]1CC[C@@H](NCc2ccc(C[NH3+])cc2F)c2sccc21 ZINC000650756209 1039459787 /nfs/dbraw/zinc/45/97/87/1039459787.db2.gz WPBHRBOZLHZJLV-BDJLRTHQSA-N 1 3 304.434 4.074 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000650757069 1039462558 /nfs/dbraw/zinc/46/25/58/1039462558.db2.gz OARXHJNYODFBQX-HXUWFJFHSA-N 1 3 324.468 4.026 20 0 DIADHO CC[C@@H](NCc1ccccc1C[NH2+]C)c1ccc(Cl)s1 ZINC000650758168 1039469782 /nfs/dbraw/zinc/46/97/82/1039469782.db2.gz KQGUSKFVINFULG-CQSZACIVSA-N 1 3 308.878 4.362 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1cc2cccc(OC)c2o1 ZINC000650758774 1039472662 /nfs/dbraw/zinc/47/26/62/1039472662.db2.gz XGGKRXOXFSYHMV-CQSZACIVSA-N 1 3 324.424 4.012 20 0 DIADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2CCCc3c(Cl)cccc32)C1 ZINC000541736436 1039736276 /nfs/dbraw/zinc/73/62/76/1039736276.db2.gz JLQDPDHQLKTWBV-RDTXWAMCSA-N 1 3 306.881 4.039 20 0 DIADHO CCC[N@H+]1CC[C@H](CN[C@@H]2CCCc3c(Cl)cccc32)C1 ZINC000541736436 1039736293 /nfs/dbraw/zinc/73/62/93/1039736293.db2.gz JLQDPDHQLKTWBV-RDTXWAMCSA-N 1 3 306.881 4.039 20 0 DIADHO CCC(CC)[C@@H](CC[NH2+]C1CCN(C2CCCCC2)CC1)OC ZINC000541908929 1039756564 /nfs/dbraw/zinc/75/65/64/1039756564.db2.gz SEHMCYYNCAHJFG-HXUWFJFHSA-N 1 3 324.553 4.214 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2cc3ccncc3s2)C1 ZINC000657872561 1039953397 /nfs/dbraw/zinc/95/33/97/1039953397.db2.gz OBWZEGIGBVORQM-GJZGRUSLSA-N 1 3 317.502 4.067 20 0 DIADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)c2cc3ccncc3s2)C1 ZINC000657872561 1039953409 /nfs/dbraw/zinc/95/34/09/1039953409.db2.gz OBWZEGIGBVORQM-GJZGRUSLSA-N 1 3 317.502 4.067 20 0 DIADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)c2cc3ccncc3s2)C1 ZINC000657872561 1039953424 /nfs/dbraw/zinc/95/34/24/1039953424.db2.gz OBWZEGIGBVORQM-GJZGRUSLSA-N 1 3 317.502 4.067 20 0 DIADHO CCN(Cc1cc2ccccc2[nH]1)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456722 1040056349 /nfs/dbraw/zinc/05/63/49/1040056349.db2.gz ODRPGOIGKDIOMK-UHFFFAOYSA-N 1 3 321.468 4.252 20 0 DIADHO CCCCCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000685470088 1040065560 /nfs/dbraw/zinc/06/55/60/1040065560.db2.gz SDIBWTFAERCZFE-XLIONFOSSA-N 1 3 318.505 4.028 20 0 DIADHO CCCCCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000685470088 1040065566 /nfs/dbraw/zinc/06/55/66/1040065566.db2.gz SDIBWTFAERCZFE-XLIONFOSSA-N 1 3 318.505 4.028 20 0 DIADHO Cc1ccsc1C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309763118 1040095671 /nfs/dbraw/zinc/09/56/71/1040095671.db2.gz FHVIPDVUWZCXHC-SJLPKXTDSA-N 1 3 314.498 4.057 20 0 DIADHO C[C@H](CC[NH2+][C@H](C)c1cc2ccncc2s1)N1CCCCC1 ZINC000657974210 1040236366 /nfs/dbraw/zinc/23/63/66/1040236366.db2.gz ZDAZEZFJHDRKSQ-HUUCEWRRSA-N 1 3 317.502 4.211 20 0 DIADHO Cc1ccc(CNC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309751387 1040250022 /nfs/dbraw/zinc/25/00/22/1040250022.db2.gz VXKAOSXLVZQNPM-LJQANCHMSA-N 1 3 314.498 4.058 20 0 DIADHO Cc1ccc(CNC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309751387 1040250042 /nfs/dbraw/zinc/25/00/42/1040250042.db2.gz VXKAOSXLVZQNPM-LJQANCHMSA-N 1 3 314.498 4.058 20 0 DIADHO CC(C)CCC[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168342 1040343257 /nfs/dbraw/zinc/34/32/57/1040343257.db2.gz WADNMKCYUNKIAY-SFHVURJKSA-N 1 3 317.521 4.098 20 0 DIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(CC(C)C)cc2)[C@H](C)C1 ZINC001167686821 1040459074 /nfs/dbraw/zinc/45/90/74/1040459074.db2.gz ZGRAMIPWWIFFLM-YLJYHZDGSA-N 1 3 302.506 4.047 20 0 DIADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(CC(C)C)cc2)[C@H](C)C1 ZINC001167686821 1040459083 /nfs/dbraw/zinc/45/90/83/1040459083.db2.gz ZGRAMIPWWIFFLM-YLJYHZDGSA-N 1 3 302.506 4.047 20 0 DIADHO C[C@H]1C[C@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CS1 ZINC000414226644 1041025524 /nfs/dbraw/zinc/02/55/24/1041025524.db2.gz KDRVLRADTPMHID-HOCLYGCPSA-N 1 3 312.567 4.149 20 0 DIADHO CCCCN1CCC([NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000164439242 1041260131 /nfs/dbraw/zinc/26/01/31/1041260131.db2.gz WLEOUOOIWCOCGY-KRWDZBQOSA-N 1 3 322.493 4.217 20 0 DIADHO CCCCCC[C@@H](CC)N1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001170602270 1041359093 /nfs/dbraw/zinc/35/90/93/1041359093.db2.gz YLYHJZHAZXPZAU-GOSISDBHSA-N 1 3 324.553 4.311 20 0 DIADHO CCCCCC[C@@H](CC)N1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001170602270 1041359107 /nfs/dbraw/zinc/35/91/07/1041359107.db2.gz YLYHJZHAZXPZAU-GOSISDBHSA-N 1 3 324.553 4.311 20 0 DIADHO CSc1ccc(F)cc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925528466 1041549439 /nfs/dbraw/zinc/54/94/39/1041549439.db2.gz UKNYKQGFXCUBIY-KRWDZBQOSA-N 1 3 318.461 4.117 20 0 DIADHO CC1(C)[C@@H]2C[C@H](N3CCC([NH3+])(c4ccc(Cl)cc4)CC3)C[C@@H]21 ZINC001170737165 1041803364 /nfs/dbraw/zinc/80/33/64/1041803364.db2.gz GOSVGWHQCLWGQG-BJWYYQGGSA-N 1 3 318.892 4.024 20 0 DIADHO Cc1cc(F)ccc1[C@@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000815586939 1041967983 /nfs/dbraw/zinc/96/79/83/1041967983.db2.gz VUONKGQJCMJNTP-OAHLLOKOSA-N 1 3 304.453 4.192 20 0 DIADHO CCC1([NH3+])CCN([C@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000925756411 1042088752 /nfs/dbraw/zinc/08/87/52/1042088752.db2.gz LSKGQWLUSOMMCJ-MRXNPFEDSA-N 1 3 309.457 4.013 20 0 DIADHO CCc1c2ccccc2oc1[C@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817947676 1042129910 /nfs/dbraw/zinc/12/99/10/1042129910.db2.gz FMQSECRJTXLKFO-HNNXBMFYSA-N 1 3 322.452 4.347 20 0 DIADHO CCSc1ccccc1[C@@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817950289 1042130115 /nfs/dbraw/zinc/13/01/15/1042130115.db2.gz XZOPRFPTNARODU-OAHLLOKOSA-N 1 3 314.498 4.151 20 0 DIADHO CC(C)CC[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccoc1 ZINC000817948183 1042130583 /nfs/dbraw/zinc/13/05/83/1042130583.db2.gz FYZZJZBZDFIPBB-LJQANCHMSA-N 1 3 300.446 4.048 20 0 DIADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1cc(Cl)cc(Cl)c1 ZINC000817950455 1042130748 /nfs/dbraw/zinc/13/07/48/1042130748.db2.gz YIOJCDUQIBUBMV-LBPRGKRZSA-N 1 3 323.267 4.345 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)N1CCc2cc(Cl)ccc2C1 ZINC001167833461 1042235337 /nfs/dbraw/zinc/23/53/37/1042235337.db2.gz BLPPODMCZCDVJD-HNNXBMFYSA-N 1 3 308.897 4.209 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc2[nH]ccc2c1 ZINC000326074223 1042275353 /nfs/dbraw/zinc/27/53/53/1042275353.db2.gz MWZHGLPSAIJQPG-UHFFFAOYSA-N 1 3 321.468 4.300 20 0 DIADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171018636 1042328775 /nfs/dbraw/zinc/32/87/75/1042328775.db2.gz UYVIPQYYCGZMEV-NVXWUHKLSA-N 1 3 320.908 4.051 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2ccccc2C(F)F)CC1 ZINC001139801954 1042356519 /nfs/dbraw/zinc/35/65/19/1042356519.db2.gz HNEFAQKBKQMNBD-UHFFFAOYSA-N 1 3 310.432 4.321 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2ccccc2C(F)F)CC1 ZINC001139801954 1042356524 /nfs/dbraw/zinc/35/65/24/1042356524.db2.gz HNEFAQKBKQMNBD-UHFFFAOYSA-N 1 3 310.432 4.321 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000513340049 1042533909 /nfs/dbraw/zinc/53/39/09/1042533909.db2.gz GNRXGZDGQJVQMB-UONOGXRCSA-N 1 3 320.443 4.208 20 0 DIADHO C[C@@H]1CCCC[N@@H+]1CCCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000513524458 1042550027 /nfs/dbraw/zinc/55/00/27/1042550027.db2.gz GWQOYJWTLPDNLD-RDTXWAMCSA-N 1 3 322.443 4.196 20 0 DIADHO C[C@@H]1CCCC[N@H+]1CCCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000513524458 1042550032 /nfs/dbraw/zinc/55/00/32/1042550032.db2.gz GWQOYJWTLPDNLD-RDTXWAMCSA-N 1 3 322.443 4.196 20 0 DIADHO Cc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)C(C)C ZINC000422702389 1042687774 /nfs/dbraw/zinc/68/77/74/1042687774.db2.gz DZJJQZLMZSGVSA-JXFKEZNVSA-N 1 3 311.473 4.205 20 0 DIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)N[C@H](C)C[C@@H](C)[NH3+] ZINC000422739265 1042688904 /nfs/dbraw/zinc/68/89/04/1042688904.db2.gz KXBWGZVHDQYAMO-UTUOFQBUSA-N 1 3 321.465 4.034 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000422785230 1042689928 /nfs/dbraw/zinc/68/99/28/1042689928.db2.gz MZQOPQZBKPJVKU-KUHUBIRLSA-N 1 3 315.436 4.036 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000422816560 1042690649 /nfs/dbraw/zinc/69/06/49/1042690649.db2.gz ATLBIBKZBIEHKM-ILXRZTDVSA-N 1 3 303.494 4.104 20 0 DIADHO CCc1cccc2c(CCN[C@@H]3C[C@@H]([NH3+])c4ccccc43)c[nH]c21 ZINC000422907452 1042692286 /nfs/dbraw/zinc/69/22/86/1042692286.db2.gz BWDNABHKLVNKPD-WOJBJXKFSA-N 1 3 319.452 4.007 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000422905865 1042692394 /nfs/dbraw/zinc/69/23/94/1042692394.db2.gz ZPMCJMSZQSCQPZ-ORYQWCPZSA-N 1 3 323.484 4.226 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000422945499 1042693885 /nfs/dbraw/zinc/69/38/85/1042693885.db2.gz NHJSHZLSMBGLIF-FOIQADDNSA-N 1 3 323.484 4.312 20 0 DIADHO c1ccc(-c2ccc3c(c2)[C@H](N[C@H]2CCC[NH2+]CC2)CC3)cc1 ZINC000423057829 1042695925 /nfs/dbraw/zinc/69/59/25/1042695925.db2.gz AWZKXQHWSMHJDH-PZJWPPBQSA-N 1 3 306.453 4.073 20 0 DIADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c2ccccc21 ZINC000423084923 1042696928 /nfs/dbraw/zinc/69/69/28/1042696928.db2.gz JBQGAVLQCBHWFW-NBPAUJCUSA-N 1 3 310.416 4.196 20 0 DIADHO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(F)c2ccccc21 ZINC000423133126 1042698827 /nfs/dbraw/zinc/69/88/27/1042698827.db2.gz VMLXZNQZWUDETP-KKUMJFAQSA-N 1 3 300.421 4.018 20 0 DIADHO C[C@@H]([NH2+]CC1(N)CCCCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000423178108 1042699323 /nfs/dbraw/zinc/69/93/23/1042699323.db2.gz KCQXEFOVXMQMLH-ZIAGYGMSSA-N 1 3 317.502 4.040 20 0 DIADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC1(N)CCCCC1 ZINC000423178106 1042699473 /nfs/dbraw/zinc/69/94/73/1042699473.db2.gz KCQXEFOVXMQMLH-KGLIPLIRSA-N 1 3 317.502 4.040 20 0 DIADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2C[C@H](C)Sc3sccc32)cc1 ZINC000423290663 1042703901 /nfs/dbraw/zinc/70/39/01/1042703901.db2.gz DYZDPAXYBKOXFN-MQIPJXDCSA-N 1 3 318.511 4.483 20 0 DIADHO Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423290573 1042704298 /nfs/dbraw/zinc/70/42/98/1042704298.db2.gz DOMUWUZJECDDAR-BEFAXECRSA-N 1 3 310.441 4.018 20 0 DIADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2cnc3ccsc3c2)cc1 ZINC000423292600 1042704815 /nfs/dbraw/zinc/70/48/15/1042704815.db2.gz NKJBWOJRYLRBNX-STQMWFEESA-N 1 3 311.454 4.167 20 0 DIADHO c1cncc([C@H]2CCC[C@H]([NH2+]CCNC3CCCCCC3)C2)c1 ZINC000423266770 1042704900 /nfs/dbraw/zinc/70/49/00/1042704900.db2.gz CIOOSMSTGPKKGC-PXNSSMCTSA-N 1 3 315.505 4.010 20 0 DIADHO c1cncc([C@@H]2CCC[C@H]([NH2+]CCNC3CCCCCC3)C2)c1 ZINC000423266771 1042704985 /nfs/dbraw/zinc/70/49/85/1042704985.db2.gz CIOOSMSTGPKKGC-XLIONFOSSA-N 1 3 315.505 4.010 20 0 DIADHO c1cncc([C@H]2CCC[C@@H]([NH2+]CCNC3CCCCCC3)C2)c1 ZINC000423266769 1042705051 /nfs/dbraw/zinc/70/50/51/1042705051.db2.gz CIOOSMSTGPKKGC-FXAWDEMLSA-N 1 3 315.505 4.010 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2cnc3ccsc3c2)cc1 ZINC000423292597 1042705398 /nfs/dbraw/zinc/70/53/98/1042705398.db2.gz NKJBWOJRYLRBNX-CHWSQXEVSA-N 1 3 311.454 4.167 20 0 DIADHO Cc1ccc2c(c1)[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)CCCO2 ZINC000423294719 1042706273 /nfs/dbraw/zinc/70/62/73/1042706273.db2.gz UZUJKXXAAHQIMA-KXBFYZLASA-N 1 3 310.441 4.018 20 0 DIADHO N[C@@H](C[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1)C1CC1 ZINC000423319731 1042706318 /nfs/dbraw/zinc/70/63/18/1042706318.db2.gz LXJSLOYTJFWEAF-HOTGVXAUSA-N 1 3 320.889 4.012 20 0 DIADHO C[C@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc(F)c2ccccc21 ZINC000423332295 1042706803 /nfs/dbraw/zinc/70/68/03/1042706803.db2.gz HFOYARVWRBENLJ-IFXJQAMLSA-N 1 3 300.421 4.019 20 0 DIADHO CSc1ccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1F ZINC000423389848 1042709323 /nfs/dbraw/zinc/70/93/23/1042709323.db2.gz ONHONYCBCNANHS-GFCCVEGCSA-N 1 3 316.445 4.002 20 0 DIADHO Cc1ccsc1[C@H](Cc1ccccc1)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000423382314 1042709351 /nfs/dbraw/zinc/70/93/51/1042709351.db2.gz OVDMGVFULGORJL-SZMVWBNQSA-N 1 3 314.498 4.070 20 0 DIADHO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+][C@H](C)[C@H](C)N ZINC000423451013 1042712401 /nfs/dbraw/zinc/71/24/01/1042712401.db2.gz UIGLCWZQNYGACI-AXFHLTTASA-N 1 3 323.893 4.158 20 0 DIADHO COc1ccc(C)cc1[C@@H](C)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423495605 1042716322 /nfs/dbraw/zinc/71/63/22/1042716322.db2.gz CEBJXZXCCRQRBT-APWZRJJASA-N 1 3 312.457 4.134 20 0 DIADHO C(=C/c1ccccc1)\CNCc1ccccc1C[NH+]1CCCCC1 ZINC000517542190 1042884839 /nfs/dbraw/zinc/88/48/39/1042884839.db2.gz PGDOOJBJCGJEPN-FMIVXFBMSA-N 1 3 320.480 4.476 20 0 DIADHO C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC(C)(C)C1 ZINC001167967601 1042954572 /nfs/dbraw/zinc/95/45/72/1042954572.db2.gz IKLVASCBNYFUAU-SBXRHNTMSA-N 1 3 304.522 4.196 20 0 DIADHO CCCCN1CCC([NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000164439108 1042985777 /nfs/dbraw/zinc/98/57/77/1042985777.db2.gz WLEOUOOIWCOCGY-QGZVFWFLSA-N 1 3 322.493 4.217 20 0 DIADHO CC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1cccc(F)c1 ZINC000188111370 1043011885 /nfs/dbraw/zinc/01/18/85/1043011885.db2.gz AMUVDEHWVZZODL-IBGZPJMESA-N 1 3 304.453 4.273 20 0 DIADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@@H+]1CCC[C@@H]1C1CCCCC1)C2 ZINC001167995019 1043067117 /nfs/dbraw/zinc/06/71/17/1043067117.db2.gz UEJJHMKTKZYNGE-JGUMPVPUSA-N 1 3 316.533 4.437 20 0 DIADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@H+]1CCC[C@@H]1C1CCCCC1)C2 ZINC001167995019 1043067124 /nfs/dbraw/zinc/06/71/24/1043067124.db2.gz UEJJHMKTKZYNGE-JGUMPVPUSA-N 1 3 316.533 4.437 20 0 DIADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@@H+]1CCC[C@H]1C1CCCCC1)C2 ZINC001167995020 1043067934 /nfs/dbraw/zinc/06/79/34/1043067934.db2.gz UEJJHMKTKZYNGE-JKWVGCSGSA-N 1 3 316.533 4.437 20 0 DIADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@H+]1CCC[C@H]1C1CCCCC1)C2 ZINC001167995020 1043067945 /nfs/dbraw/zinc/06/79/45/1043067945.db2.gz UEJJHMKTKZYNGE-JKWVGCSGSA-N 1 3 316.533 4.437 20 0 DIADHO c1ccc([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)N3CC2CC2)cc1 ZINC001167995731 1043078580 /nfs/dbraw/zinc/07/85/80/1043078580.db2.gz PCQOSKQGAWDNHR-JGUMPVPUSA-N 1 3 310.485 4.229 20 0 DIADHO c1ccc([C@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)N3CC2CC2)cc1 ZINC001167995731 1043078591 /nfs/dbraw/zinc/07/85/91/1043078591.db2.gz PCQOSKQGAWDNHR-JGUMPVPUSA-N 1 3 310.485 4.229 20 0 DIADHO COc1cccc([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000177190004 1043104499 /nfs/dbraw/zinc/10/44/99/1043104499.db2.gz ASYODUKQDXMFDW-KRWDZBQOSA-N 1 3 324.468 4.142 20 0 DIADHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccsc1 ZINC000178424919 1043128923 /nfs/dbraw/zinc/12/89/23/1043128923.db2.gz CTZLKCASEKABSQ-HNNXBMFYSA-N 1 3 300.471 4.195 20 0 DIADHO c1cc2cccc3c2c(c1)CC[C@H]3N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000866236810 1043163414 /nfs/dbraw/zinc/16/34/14/1043163414.db2.gz FJBAOKDZGAXUEM-NLWGTHIKSA-N 1 3 306.453 4.044 20 0 DIADHO c1cc2cccc3c2c(c1)CC[C@H]3N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000866236810 1043163425 /nfs/dbraw/zinc/16/34/25/1043163425.db2.gz FJBAOKDZGAXUEM-NLWGTHIKSA-N 1 3 306.453 4.044 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)COC3)c1 ZINC000268862706 1043338536 /nfs/dbraw/zinc/33/85/36/1043338536.db2.gz JZWNPQSIUNBFEY-INIZCTEOSA-N 1 3 324.468 4.019 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc3c(c2)COC3)c1 ZINC000268862706 1043338550 /nfs/dbraw/zinc/33/85/50/1043338550.db2.gz JZWNPQSIUNBFEY-INIZCTEOSA-N 1 3 324.468 4.019 20 0 DIADHO CC[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000268936999 1043345522 /nfs/dbraw/zinc/34/55/22/1043345522.db2.gz YYDPBEATZDFNQU-UIFIKXQLSA-N 1 3 323.484 4.175 20 0 DIADHO CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000268936999 1043345534 /nfs/dbraw/zinc/34/55/34/1043345534.db2.gz YYDPBEATZDFNQU-UIFIKXQLSA-N 1 3 323.484 4.175 20 0 DIADHO Cc1ccncc1[C@H](C)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000271523905 1043428806 /nfs/dbraw/zinc/42/88/06/1043428806.db2.gz WFXLQXJRPSEVQR-SFHVURJKSA-N 1 3 323.484 4.227 20 0 DIADHO [NH3+]CCC[C@H](NCc1ccccc1OC1CCC1)c1ccccc1 ZINC000925567031 1043431489 /nfs/dbraw/zinc/43/14/89/1043431489.db2.gz AEMJNGNVFWSFFD-FQEVSTJZSA-N 1 3 324.468 4.188 20 0 DIADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2cnccc2C)cc1 ZINC000271537093 1043433935 /nfs/dbraw/zinc/43/39/35/1043433935.db2.gz YGYGYUGBFBKMMA-QGZVFWFLSA-N 1 3 311.473 4.083 20 0 DIADHO C[C@H](N[C@H]1C[C@@H](C)c2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000558161103 1043447918 /nfs/dbraw/zinc/44/79/18/1043447918.db2.gz WRLFCCCTKJCKKF-WOYCLPQFSA-N 1 3 312.501 4.478 20 0 DIADHO C[C@H](N[C@H]1C[C@@H](C)c2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000558161103 1043447925 /nfs/dbraw/zinc/44/79/25/1043447925.db2.gz WRLFCCCTKJCKKF-WOYCLPQFSA-N 1 3 312.501 4.478 20 0 DIADHO [NH3+]CCC[C@@H](NCc1cc(C2CC2)ccc1F)c1ccccc1 ZINC000925680950 1043452263 /nfs/dbraw/zinc/45/22/63/1043452263.db2.gz RXGOAMVCPRGJCZ-HXUWFJFHSA-N 1 3 312.432 4.273 20 0 DIADHO Cc1ccc(C)c2c1CCC[C@H]2NC1CC[NH+](C(C)C)CC1 ZINC000349327818 1043502406 /nfs/dbraw/zinc/50/24/06/1043502406.db2.gz XIYWFWMRFGERFO-LJQANCHMSA-N 1 3 300.490 4.143 20 0 DIADHO CCC(CC)(C[NH2+][C@H]1C[C@H](N)c2ccccc21)C(F)(F)F ZINC000873247206 1043529649 /nfs/dbraw/zinc/52/96/49/1043529649.db2.gz JLZXCSAJHBVWRL-KBPBESRZSA-N 1 3 300.368 4.090 20 0 DIADHO Cc1cccc2c1ncc(C)c2N1CCC([NH+]2CCCCC2)CC1 ZINC000443439221 1043552473 /nfs/dbraw/zinc/55/24/73/1043552473.db2.gz QJPNLSSEQUTXHJ-UHFFFAOYSA-N 1 3 323.484 4.306 20 0 DIADHO CCN(Cc1ccsc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000353503387 1043611592 /nfs/dbraw/zinc/61/15/92/1043611592.db2.gz OUQGMJFUNLEAOS-UHFFFAOYSA-N 1 3 302.487 4.140 20 0 DIADHO CN1CCCC[C@H]1CC[N@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000353645543 1043628167 /nfs/dbraw/zinc/62/81/67/1043628167.db2.gz HDJZNLNJQMRVEJ-NRFANRHFSA-N 1 3 323.484 4.055 20 0 DIADHO CN1CCCC[C@H]1CC[N@@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000353645543 1043628174 /nfs/dbraw/zinc/62/81/74/1043628174.db2.gz HDJZNLNJQMRVEJ-NRFANRHFSA-N 1 3 323.484 4.055 20 0 DIADHO C[N@H+](CCCN1CCCC1)Cc1ccc(Cl)c2ccccc12 ZINC001307725521 1043650962 /nfs/dbraw/zinc/65/09/62/1043650962.db2.gz PNPCUNYQWBYYGI-UHFFFAOYSA-N 1 3 316.876 4.411 20 0 DIADHO C[N@@H+](CCCN1CCCC1)Cc1ccc(Cl)c2ccccc12 ZINC001307725521 1043650967 /nfs/dbraw/zinc/65/09/67/1043650967.db2.gz PNPCUNYQWBYYGI-UHFFFAOYSA-N 1 3 316.876 4.411 20 0 DIADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](CC(C)C)c2ccccc2)C1 ZINC000474271900 1043718586 /nfs/dbraw/zinc/71/85/86/1043718586.db2.gz PCYKACPVZCFFEU-QUCCMNQESA-N 1 3 302.506 4.090 20 0 DIADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](CC(C)C)c2ccccc2)C1 ZINC000474271900 1043718598 /nfs/dbraw/zinc/71/85/98/1043718598.db2.gz PCYKACPVZCFFEU-QUCCMNQESA-N 1 3 302.506 4.090 20 0 DIADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](CC(C)C)c2ccccc2)C1 ZINC000474271901 1043719721 /nfs/dbraw/zinc/71/97/21/1043719721.db2.gz PCYKACPVZCFFEU-UYAOXDASSA-N 1 3 302.506 4.090 20 0 DIADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](CC(C)C)c2ccccc2)C1 ZINC000474271901 1043719730 /nfs/dbraw/zinc/71/97/30/1043719730.db2.gz PCYKACPVZCFFEU-UYAOXDASSA-N 1 3 302.506 4.090 20 0 DIADHO C[C@@H]1C[C@@H](N2CC3(C2)CCCC3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168044848 1044023730 /nfs/dbraw/zinc/02/37/30/1044023730.db2.gz GYPDULANBRVZHG-OPVJXMOQSA-N 1 3 312.501 4.304 20 0 DIADHO C[C@@H]1C[C@@H](N2CC3(C2)CCCC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168044848 1044023748 /nfs/dbraw/zinc/02/37/48/1044023748.db2.gz GYPDULANBRVZHG-OPVJXMOQSA-N 1 3 312.501 4.304 20 0 DIADHO C[C@H]1CC(N2CC3(C2)CCCC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168044851 1044024351 /nfs/dbraw/zinc/02/43/51/1044024351.db2.gz GYPDULANBRVZHG-ROUUACIJSA-N 1 3 312.501 4.304 20 0 DIADHO C[C@H](N[C@@H]1CCCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358475838 1044074631 /nfs/dbraw/zinc/07/46/31/1044074631.db2.gz WLIQCZZECXTJNC-YRISNDGFSA-N 1 3 312.501 4.307 20 0 DIADHO C[C@H](N[C@@H]1CCCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358475838 1044074647 /nfs/dbraw/zinc/07/46/47/1044074647.db2.gz WLIQCZZECXTJNC-YRISNDGFSA-N 1 3 312.501 4.307 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)[C@@H]1CCCN(C2CCC2)C1 ZINC000358475838 1044074661 /nfs/dbraw/zinc/07/46/61/1044074661.db2.gz WLIQCZZECXTJNC-YRISNDGFSA-N 1 3 312.501 4.307 20 0 DIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3CCC4(CC4)CC3)CC2)C1 ZINC000562580016 1044133519 /nfs/dbraw/zinc/13/35/19/1044133519.db2.gz MGUMWMZJFGRYDP-VQIMIIECSA-N 1 3 304.522 4.342 20 0 DIADHO CC[C@@H]([NH2+]CC[C@@H](C)N1CCCCC1)c1ccc(OC)cc1 ZINC000346864333 1044162456 /nfs/dbraw/zinc/16/24/56/1044162456.db2.gz GEBNPHJAHOCDSH-VQIMIIECSA-N 1 3 304.478 4.000 20 0 DIADHO CC(C)(C[NH2+]C1CCN(C2CCCCC2)CC1)CC(F)F ZINC000883251266 1044245306 /nfs/dbraw/zinc/24/53/06/1044245306.db2.gz JAAKNQYCJPWPNY-UHFFFAOYSA-N 1 3 302.453 4.055 20 0 DIADHO CN1CCC2(CCC[N@@H+]2[C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000475133285 1044282454 /nfs/dbraw/zinc/28/24/54/1044282454.db2.gz ZAOUGMQZBWHCLF-PMACEKPBSA-N 1 3 312.501 4.057 20 0 DIADHO CN1CCC2(CCC[N@H+]2[C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000475133285 1044282474 /nfs/dbraw/zinc/28/24/74/1044282474.db2.gz ZAOUGMQZBWHCLF-PMACEKPBSA-N 1 3 312.501 4.057 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000563570863 1044283488 /nfs/dbraw/zinc/28/34/88/1044283488.db2.gz JUQIIEYZFYKPIY-MNEFBYGVSA-N 1 3 320.908 4.296 20 0 DIADHO C[N@H+](CCCN[C@H](c1cccnc1)C1CCC1)Cc1ccccc1 ZINC000360842497 1044316345 /nfs/dbraw/zinc/31/63/45/1044316345.db2.gz WXCVKJFACIHLBA-NRFANRHFSA-N 1 3 323.484 4.035 20 0 DIADHO C[N@@H+](CCCN[C@H](c1cccnc1)C1CCC1)Cc1ccccc1 ZINC000360842497 1044316353 /nfs/dbraw/zinc/31/63/53/1044316353.db2.gz WXCVKJFACIHLBA-NRFANRHFSA-N 1 3 323.484 4.035 20 0 DIADHO CC(C)C[C@@H](CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000564084564 1044338132 /nfs/dbraw/zinc/33/81/32/1044338132.db2.gz PJWMYPJYBMLSSD-GURQWTFNSA-N 1 3 300.490 4.031 20 0 DIADHO C/C(=C/c1ccc(Cl)cc1)CNCC[N@@H+]1CCC(C)(C)C1 ZINC001204001607 1044354481 /nfs/dbraw/zinc/35/44/81/1044354481.db2.gz AASLXTUJNOVBRW-QINSGFPZSA-N 1 3 306.881 4.065 20 0 DIADHO C/C(=C/c1ccc(Cl)cc1)CNCC[N@H+]1CCC(C)(C)C1 ZINC001204001607 1044354495 /nfs/dbraw/zinc/35/44/95/1044354495.db2.gz AASLXTUJNOVBRW-QINSGFPZSA-N 1 3 306.881 4.065 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000564823046 1044406069 /nfs/dbraw/zinc/40/60/69/1044406069.db2.gz WWCDTHSTKBNADB-CRAIPNDOSA-N 1 3 301.478 4.002 20 0 DIADHO C[NH+](C)CC[C@H](N[C@@H]1CCSc2ccccc21)C(C)(C)C ZINC000361511978 1044412122 /nfs/dbraw/zinc/41/21/22/1044412122.db2.gz WDYBBFQTODKQTH-WBVHZDCISA-N 1 3 306.519 4.180 20 0 DIADHO Cc1cscc1C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000565744577 1044455096 /nfs/dbraw/zinc/45/50/96/1044455096.db2.gz WYHLGICAXSCJCJ-SJLPKXTDSA-N 1 3 314.498 4.057 20 0 DIADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000568329660 1044616395 /nfs/dbraw/zinc/61/63/95/1044616395.db2.gz AVZFMJWJDWWNQH-OXJNMPFZSA-N 1 3 316.464 4.082 20 0 DIADHO CC(C)[C@H]1C[C@H](NC2CC[NH+](C(C)C)CC2)c2ccccc21 ZINC000568948240 1044663439 /nfs/dbraw/zinc/66/34/39/1044663439.db2.gz BQGPUMZKRBSUJW-UXHICEINSA-N 1 3 300.490 4.333 20 0 DIADHO c1ccc2c(c1)cccc2CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000524593486 1044880987 /nfs/dbraw/zinc/88/09/87/1044880987.db2.gz BRHFIBUDMYJOPP-HXUWFJFHSA-N 1 3 308.469 4.290 20 0 DIADHO Cc1ccc([C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CCCC2)cc1 ZINC000446748888 1045029050 /nfs/dbraw/zinc/02/90/50/1045029050.db2.gz VBEXYJOQTGGNMO-NJDAHSKKSA-N 1 3 312.501 4.443 20 0 DIADHO Cc1ccc([C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCCC2)cc1 ZINC000446748888 1045029066 /nfs/dbraw/zinc/02/90/66/1045029066.db2.gz VBEXYJOQTGGNMO-NJDAHSKKSA-N 1 3 312.501 4.443 20 0 DIADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2cc3ccccc3s2)C1 ZINC000446745819 1045029452 /nfs/dbraw/zinc/02/94/52/1045029452.db2.gz QODODCCLVLIPED-HUUCEWRRSA-N 1 3 302.487 4.284 20 0 DIADHO CCC[N@H+]1CC[C@H](CN[C@H](C)c2cc3ccccc3s2)C1 ZINC000446745819 1045029455 /nfs/dbraw/zinc/02/94/55/1045029455.db2.gz QODODCCLVLIPED-HUUCEWRRSA-N 1 3 302.487 4.284 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2cc3ccccc3s2)C1 ZINC000446745819 1045029457 /nfs/dbraw/zinc/02/94/57/1045029457.db2.gz QODODCCLVLIPED-HUUCEWRRSA-N 1 3 302.487 4.284 20 0 DIADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1cc2ccccc2s1 ZINC000446938534 1045072584 /nfs/dbraw/zinc/07/25/84/1045072584.db2.gz WUBYVEHCFLZYLW-CWRNSKLLSA-N 1 3 302.487 4.425 20 0 DIADHO CC(C)[C@H]1C[C@H](NC2CC[NH+](C3CCC3)CC2)c2ccccc21 ZINC000447534588 1045141835 /nfs/dbraw/zinc/14/18/35/1045141835.db2.gz YOYFUQYPLJKMNE-RTWAWAEBSA-N 1 3 312.501 4.478 20 0 DIADHO CC(C)[C@@H]1C[C@H](NC2CC[NH+](C3CCC3)CC2)c2ccccc21 ZINC000447534589 1045141852 /nfs/dbraw/zinc/14/18/52/1045141852.db2.gz YOYFUQYPLJKMNE-SFTDATJTSA-N 1 3 312.501 4.478 20 0 DIADHO C[C@@H]([NH2+]C1CCN(CC2CCCCC2)CC1)C1CCSCC1 ZINC000779019037 1045143220 /nfs/dbraw/zinc/14/32/20/1045143220.db2.gz UCACUKFADIWOMW-MRXNPFEDSA-N 1 3 324.578 4.152 20 0 DIADHO C[C@@H](NCc1ccc(Cl)s1)c1cccc(C[NH+](C)C)c1 ZINC000924812406 1045201005 /nfs/dbraw/zinc/20/10/05/1045201005.db2.gz DMBGWXVXWSDIAZ-GFCCVEGCSA-N 1 3 308.878 4.314 20 0 DIADHO Fc1cc2c(cc1Cl)[C@H]([NH2+]C1CC(N3CCCCC3)C1)CC2 ZINC000527893184 1045274137 /nfs/dbraw/zinc/27/41/37/1045274137.db2.gz IIHGJXNXKMWVNX-WTNGLUPJSA-N 1 3 322.855 4.073 20 0 DIADHO c1cc2cccc(CNCc3ccc(C[NH+]4CCCC4)cc3)c2o1 ZINC000449066999 1045343413 /nfs/dbraw/zinc/34/34/13/1045343413.db2.gz HJYYMSORVBOGPW-UHFFFAOYSA-N 1 3 320.436 4.318 20 0 DIADHO Cc1ccccc1-c1ccccc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000449072708 1045344226 /nfs/dbraw/zinc/34/42/26/1045344226.db2.gz GGMVMRQIGJAAMX-SFHVURJKSA-N 1 3 320.480 4.236 20 0 DIADHO Cc1cc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cs1 ZINC000449106628 1045347960 /nfs/dbraw/zinc/34/79/60/1045347960.db2.gz MXWGHDKRCPPTCS-HNNXBMFYSA-N 1 3 320.527 4.120 20 0 DIADHO Cc1cc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cs1 ZINC000449106628 1045347954 /nfs/dbraw/zinc/34/79/54/1045347954.db2.gz MXWGHDKRCPPTCS-HNNXBMFYSA-N 1 3 320.527 4.120 20 0 DIADHO Cc1cc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cs1 ZINC000449162679 1045356927 /nfs/dbraw/zinc/35/69/27/1045356927.db2.gz SSEGCNCHLNMIHP-RDJZCZTQSA-N 1 3 320.527 4.291 20 0 DIADHO Cc1cc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cs1 ZINC000449162679 1045356931 /nfs/dbraw/zinc/35/69/31/1045356931.db2.gz SSEGCNCHLNMIHP-RDJZCZTQSA-N 1 3 320.527 4.291 20 0 DIADHO CS[C@@H](C)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449197019 1045362300 /nfs/dbraw/zinc/36/23/00/1045362300.db2.gz YDPHEGDSDIQOSM-AWEZNQCLSA-N 1 3 300.556 4.007 20 0 DIADHO C[C@@H](NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@@H]1CCCCO1 ZINC000449246956 1045370032 /nfs/dbraw/zinc/37/00/32/1045370032.db2.gz DZXMDWAASPYUBG-AEFFLSMTSA-N 1 3 324.553 4.213 20 0 DIADHO CSCCCCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000753571396 1045763827 /nfs/dbraw/zinc/76/38/27/1045763827.db2.gz VKVHZUCKMOKOBU-UHFFFAOYSA-N 1 3 312.567 4.297 20 0 DIADHO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2cccc3ccccc32)C1 ZINC000531340245 1045827334 /nfs/dbraw/zinc/82/73/34/1045827334.db2.gz DSTYKYSQQLTPPX-GOSISDBHSA-N 1 3 308.469 4.004 20 0 DIADHO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cccc3ccccc32)C1 ZINC000531340245 1045827355 /nfs/dbraw/zinc/82/73/55/1045827355.db2.gz DSTYKYSQQLTPPX-GOSISDBHSA-N 1 3 308.469 4.004 20 0 DIADHO c1cnc2cccc(CN3CCCC[C@H]3CC[NH+]3CCCC3)c2c1 ZINC001137627911 1045910802 /nfs/dbraw/zinc/91/08/02/1045910802.db2.gz FJEXFZUUWZKUHO-IBGZPJMESA-N 1 3 323.484 4.075 20 0 DIADHO c1cnc2cccc(C[N@H+]3CCCC[C@H]3CCN3CCCC3)c2c1 ZINC001137627911 1045910807 /nfs/dbraw/zinc/91/08/07/1045910807.db2.gz FJEXFZUUWZKUHO-IBGZPJMESA-N 1 3 323.484 4.075 20 0 DIADHO c1cnc2cccc(C[N@@H+]3CCCC[C@H]3CCN3CCCC3)c2c1 ZINC001137627911 1045910812 /nfs/dbraw/zinc/91/08/12/1045910812.db2.gz FJEXFZUUWZKUHO-IBGZPJMESA-N 1 3 323.484 4.075 20 0 DIADHO CC[C@H](NCc1cccc(C[N@H+](C)CC)c1)c1ccsc1 ZINC000453104193 1045935432 /nfs/dbraw/zinc/93/54/32/1045935432.db2.gz DVHVUWPGEHWOHF-SFHVURJKSA-N 1 3 302.487 4.441 20 0 DIADHO CC[C@H](NCc1cccc(C[N@@H+](C)CC)c1)c1ccsc1 ZINC000453104193 1045935446 /nfs/dbraw/zinc/93/54/46/1045935446.db2.gz DVHVUWPGEHWOHF-SFHVURJKSA-N 1 3 302.487 4.441 20 0 DIADHO CC[C@@H](NCc1cccc(C[N@H+](C)CC)c1)c1ccsc1 ZINC000453104172 1045937483 /nfs/dbraw/zinc/93/74/83/1045937483.db2.gz DVHVUWPGEHWOHF-GOSISDBHSA-N 1 3 302.487 4.441 20 0 DIADHO CC[C@@H](NCc1cccc(C[N@@H+](C)CC)c1)c1ccsc1 ZINC000453104172 1045937492 /nfs/dbraw/zinc/93/74/92/1045937492.db2.gz DVHVUWPGEHWOHF-GOSISDBHSA-N 1 3 302.487 4.441 20 0 DIADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccc(Cl)c(Cl)c1Cl ZINC000902488853 1046005007 /nfs/dbraw/zinc/00/50/07/1046005007.db2.gz PDBHYOGJICRCCY-CIUDSAMLSA-N 1 3 307.652 4.035 20 0 DIADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1ccc2ncccc2c1 ZINC001138111900 1046098252 /nfs/dbraw/zinc/09/82/52/1046098252.db2.gz WDRURBGFIDDQCG-PMACEKPBSA-N 1 3 323.484 4.074 20 0 DIADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1ccc2ncccc2c1 ZINC001138111900 1046098264 /nfs/dbraw/zinc/09/82/64/1046098264.db2.gz WDRURBGFIDDQCG-PMACEKPBSA-N 1 3 323.484 4.074 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC001138111900 1046098288 /nfs/dbraw/zinc/09/82/88/1046098288.db2.gz WDRURBGFIDDQCG-PMACEKPBSA-N 1 3 323.484 4.074 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc2ncccc2c1 ZINC001138111900 1046098299 /nfs/dbraw/zinc/09/82/99/1046098299.db2.gz WDRURBGFIDDQCG-PMACEKPBSA-N 1 3 323.484 4.074 20 0 DIADHO c1ccc2c(c1)CC[C@@H]2NCc1ccccc1C[NH+]1CCCCC1 ZINC000532201587 1046113058 /nfs/dbraw/zinc/11/30/58/1046113058.db2.gz HDIJCQDXFUKTEO-QFIPXVFZSA-N 1 3 320.480 4.450 20 0 DIADHO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(-c2ccncc2)cc1 ZINC000635008955 1046171807 /nfs/dbraw/zinc/17/18/07/1046171807.db2.gz FQKSFJGADUQKEH-OXJNMPFZSA-N 1 3 323.484 4.177 20 0 DIADHO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(-c2ccncc2)c1 ZINC000635011629 1046172937 /nfs/dbraw/zinc/17/29/37/1046172937.db2.gz OKPIBDQTMNOKPI-JXFKEZNVSA-N 1 3 323.484 4.177 20 0 DIADHO C[C@@H](Cc1ccc(Cl)cc1)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001168163770 1046219583 /nfs/dbraw/zinc/21/95/83/1046219583.db2.gz BRDRKQVXJBYVDM-HNNXBMFYSA-N 1 3 320.908 4.255 20 0 DIADHO C[NH+](C)CC[C@H](N[C@@H]1CCC[C@H]1c1ccccc1)c1cccnc1 ZINC000903379684 1046262215 /nfs/dbraw/zinc/26/22/15/1046262215.db2.gz HYHYCQJDMIKWSG-PCCBWWKXSA-N 1 3 323.484 4.000 20 0 DIADHO Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781428090 1046444228 /nfs/dbraw/zinc/44/42/28/1046444228.db2.gz ZNLIGNIKFJYZRA-BLIXFSHQSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781428090 1046444230 /nfs/dbraw/zinc/44/42/30/1046444230.db2.gz ZNLIGNIKFJYZRA-BLIXFSHQSA-N 1 3 312.501 4.225 20 0 DIADHO CCC(CC)[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccs1 ZINC000677237881 1046476637 /nfs/dbraw/zinc/47/66/37/1046476637.db2.gz PDSXHBJFSHMUHL-RYRKJORJSA-N 1 3 306.519 4.442 20 0 DIADHO CCC(CC)[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccs1 ZINC000677237881 1046476638 /nfs/dbraw/zinc/47/66/38/1046476638.db2.gz PDSXHBJFSHMUHL-RYRKJORJSA-N 1 3 306.519 4.442 20 0 DIADHO C[NH+]1CCC2(CN(Cc3ccc4oc5ccccc5c4c3)C2)CC1 ZINC001139755474 1046514360 /nfs/dbraw/zinc/51/43/60/1046514360.db2.gz WMIJBRVNECEZBX-UHFFFAOYSA-N 1 3 320.436 4.114 20 0 DIADHO CN1CC2(C1)CC[NH+](Cc1cccc3c4ccccc4oc31)CC2 ZINC001139858860 1046538379 /nfs/dbraw/zinc/53/83/79/1046538379.db2.gz XIVDNVLWAVUBRQ-UHFFFAOYSA-N 1 3 320.436 4.114 20 0 DIADHO c1csc([C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C2CCCC2)c1 ZINC000643547152 1046671266 /nfs/dbraw/zinc/67/12/66/1046671266.db2.gz ACHGFXIVQIFAMC-DOTOQJQBSA-N 1 3 304.503 4.244 20 0 DIADHO c1csc([C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C2CCCC2)c1 ZINC000643547152 1046671269 /nfs/dbraw/zinc/67/12/69/1046671269.db2.gz ACHGFXIVQIFAMC-DOTOQJQBSA-N 1 3 304.503 4.244 20 0 DIADHO c1csc([C@@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C2CCCC2)c1 ZINC000643547155 1046671760 /nfs/dbraw/zinc/67/17/60/1046671760.db2.gz ACHGFXIVQIFAMC-WBVHZDCISA-N 1 3 304.503 4.244 20 0 DIADHO c1csc([C@@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C2CCCC2)c1 ZINC000643547155 1046671769 /nfs/dbraw/zinc/67/17/69/1046671769.db2.gz ACHGFXIVQIFAMC-WBVHZDCISA-N 1 3 304.503 4.244 20 0 DIADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000533394594 1046715062 /nfs/dbraw/zinc/71/50/62/1046715062.db2.gz HILBCVFKVOLXNZ-MLGOLLRUSA-N 1 3 315.288 4.156 20 0 DIADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000533394594 1046715077 /nfs/dbraw/zinc/71/50/77/1046715077.db2.gz HILBCVFKVOLXNZ-MLGOLLRUSA-N 1 3 315.288 4.156 20 0 DIADHO CC[NH+](CC)Cc1ccccc1Nc1ccc2c(c1)CN(C)CC2 ZINC001211997673 1046772864 /nfs/dbraw/zinc/77/28/64/1046772864.db2.gz FPTXPDYKOBUPJN-UHFFFAOYSA-N 1 3 323.484 4.260 20 0 DIADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(F)c3ccccc32)C1 ZINC000645393671 1046788906 /nfs/dbraw/zinc/78/89/06/1046788906.db2.gz MNSBUDSDXBVBCX-CVEARBPZSA-N 1 3 314.448 4.361 20 0 DIADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(F)c3ccccc32)C1 ZINC000645393671 1046788912 /nfs/dbraw/zinc/78/89/12/1046788912.db2.gz MNSBUDSDXBVBCX-CVEARBPZSA-N 1 3 314.448 4.361 20 0 DIADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)c3ccccc32)C1 ZINC000645393671 1046788920 /nfs/dbraw/zinc/78/89/20/1046788920.db2.gz MNSBUDSDXBVBCX-CVEARBPZSA-N 1 3 314.448 4.361 20 0 DIADHO Cc1ccc(CNC2CC[NH+](CCc3ccccc3)CC2)c(C)c1 ZINC000237761746 1047038825 /nfs/dbraw/zinc/03/88/25/1047038825.db2.gz JENYZGGSLPYQAW-UHFFFAOYSA-N 1 3 322.496 4.100 20 0 DIADHO CC[NH+]1CCC(N(C)Cc2cccc(-c3ccsc3)c2)CC1 ZINC001141384376 1047113545 /nfs/dbraw/zinc/11/35/45/1047113545.db2.gz KQVSNQGWHRFQTN-UHFFFAOYSA-N 1 3 314.498 4.331 20 0 DIADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H](c2ccccc2)C2CC2)C1 ZINC000537014111 1047131408 /nfs/dbraw/zinc/13/14/08/1047131408.db2.gz CBHAQBXVFRMXLD-PXNSSMCTSA-N 1 3 300.490 4.095 20 0 DIADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](c2ccccc2)C2CC2)C1 ZINC000537014111 1047131413 /nfs/dbraw/zinc/13/14/13/1047131413.db2.gz CBHAQBXVFRMXLD-PXNSSMCTSA-N 1 3 300.490 4.095 20 0 DIADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CCN1 ZINC000423367311 1047142966 /nfs/dbraw/zinc/14/29/66/1047142966.db2.gz AEGDCDSGHUFQEI-AETAKHFUSA-N 1 3 306.881 4.096 20 0 DIADHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cccc(F)c1F ZINC000537352240 1047174541 /nfs/dbraw/zinc/17/45/41/1047174541.db2.gz RRPBXNVWXAQHFM-CABCVRRESA-N 1 3 310.432 4.270 20 0 DIADHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cccc(F)c1F ZINC000537352240 1047174546 /nfs/dbraw/zinc/17/45/46/1047174546.db2.gz RRPBXNVWXAQHFM-CABCVRRESA-N 1 3 310.432 4.270 20 0 DIADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC001118060315 1047255227 /nfs/dbraw/zinc/25/52/27/1047255227.db2.gz YMNTURUNOHAMNX-MNOVXSKESA-N 1 3 321.827 4.053 20 0 DIADHO CC[N@@H+]1CCC[C@@H](CN[C@@H](c2cccnc2)C2CCCCC2)C1 ZINC001118246260 1047276588 /nfs/dbraw/zinc/27/65/88/1047276588.db2.gz PBTFMCIFJWUHQL-FXAWDEMLSA-N 1 3 315.505 4.025 20 0 DIADHO CC[N@H+]1CCC[C@@H](CN[C@@H](c2cccnc2)C2CCCCC2)C1 ZINC001118246260 1047276594 /nfs/dbraw/zinc/27/65/94/1047276594.db2.gz PBTFMCIFJWUHQL-FXAWDEMLSA-N 1 3 315.505 4.025 20 0 DIADHO C[C@H](c1ccc(F)c(Cl)c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001118263894 1047276675 /nfs/dbraw/zinc/27/66/75/1047276675.db2.gz OPAAOZQILCAJFB-CYBMUJFWSA-N 1 3 310.844 4.006 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1cc2cccc(OC)c2o1 ZINC000650758773 1047280302 /nfs/dbraw/zinc/28/03/02/1047280302.db2.gz XGGKRXOXFSYHMV-AWEZNQCLSA-N 1 3 324.424 4.012 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000650758105 1047280496 /nfs/dbraw/zinc/28/04/96/1047280496.db2.gz JFOWRWIGAGDZNH-LBPRGKRZSA-N 1 3 306.812 4.049 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(OC(C)C)cc1 ZINC000650758126 1047280738 /nfs/dbraw/zinc/28/07/38/1047280738.db2.gz JUJKNKFXGMPCJW-MRXNPFEDSA-N 1 3 312.457 4.044 20 0 DIADHO FC1(F)CC[C@@H](CC[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000898017427 1047311272 /nfs/dbraw/zinc/31/12/72/1047311272.db2.gz MTWLKNPFSVFPEF-HNNXBMFYSA-N 1 3 314.464 4.199 20 0 DIADHO CC(C)(C)N1CCC([NH2+]Cc2cccc3ccsc32)CC1 ZINC000651863828 1047333123 /nfs/dbraw/zinc/33/31/23/1047333123.db2.gz ZJKXMPZYSIKSJH-UHFFFAOYSA-N 1 3 302.487 4.254 20 0 DIADHO NCCC[N@H+](C1CCCCC1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255691174 1047423125 /nfs/dbraw/zinc/42/31/25/1047423125.db2.gz WWAHWXLPXJXEDG-UKRRQHHQSA-N 1 3 306.416 4.091 20 0 DIADHO NCCC[N@@H+](C1CCCCC1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255691174 1047423133 /nfs/dbraw/zinc/42/31/33/1047423133.db2.gz WWAHWXLPXJXEDG-UKRRQHHQSA-N 1 3 306.416 4.091 20 0 DIADHO CN(Cc1ccc(Cl)cc1Cl)C1CCC([NH+](C)C)CC1 ZINC001168316015 1047427666 /nfs/dbraw/zinc/42/76/66/1047427666.db2.gz SYVVIPZSUVOPPY-UHFFFAOYSA-N 1 3 315.288 4.298 20 0 DIADHO C[C@@H]1C[C@@H](N(C)Cc2cccc(-c3ccccc3)c2)CC[N@@H+]1C ZINC000537618160 1047457301 /nfs/dbraw/zinc/45/73/01/1047457301.db2.gz OXBUZESXVQAPGE-UTKZUKDTSA-N 1 3 308.469 4.268 20 0 DIADHO C[C@@H]1C[C@@H](N(C)Cc2cccc(-c3ccccc3)c2)CC[N@H+]1C ZINC000537618160 1047457303 /nfs/dbraw/zinc/45/73/03/1047457303.db2.gz OXBUZESXVQAPGE-UTKZUKDTSA-N 1 3 308.469 4.268 20 0 DIADHO CC(C)Sc1ccc([C@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000119696080 1047470016 /nfs/dbraw/zinc/47/00/16/1047470016.db2.gz MDAYCOUKNFABAD-HNNXBMFYSA-N 1 3 318.530 4.465 20 0 DIADHO C[C@@H](NCCCCCC[NH3+])c1csc(-c2ccccc2F)n1 ZINC000843340277 1047542120 /nfs/dbraw/zinc/54/21/20/1047542120.db2.gz AAHJADMODVLYKO-CYBMUJFWSA-N 1 3 321.465 4.119 20 0 DIADHO [NH3+]CCCCCCN[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000843342004 1047543596 /nfs/dbraw/zinc/54/35/96/1047543596.db2.gz MREJWQYZKXTYKT-HXUWFJFHSA-N 1 3 323.440 4.026 20 0 DIADHO C[C@H](c1cccnc1)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476976281 1047587081 /nfs/dbraw/zinc/58/70/81/1047587081.db2.gz WANXZWBVWHCHKX-QZTJIDSGSA-N 1 3 315.505 4.119 20 0 DIADHO C[C@H](c1cccnc1)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476976281 1047587085 /nfs/dbraw/zinc/58/70/85/1047587085.db2.gz WANXZWBVWHCHKX-QZTJIDSGSA-N 1 3 315.505 4.119 20 0 DIADHO [NH3+]C[C@H]1CCCCN(Cc2cc(-c3ccsc3)cs2)C1 ZINC001206640394 1047593989 /nfs/dbraw/zinc/59/39/89/1047593989.db2.gz JJPNJPOVEAHAOI-CYBMUJFWSA-N 1 3 306.500 4.037 20 0 DIADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(F)c(Cl)c1 ZINC001168356019 1047603987 /nfs/dbraw/zinc/60/39/87/1047603987.db2.gz IYPVMKNADGPRQY-GFCCVEGCSA-N 1 3 310.844 4.004 20 0 DIADHO CC(C)(C)[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC001168356762 1047611423 /nfs/dbraw/zinc/61/14/23/1047611423.db2.gz WIVPQIVYZFIPCT-IBGZPJMESA-N 1 3 300.490 4.238 20 0 DIADHO c1ccc([C@@H]2CCCC[C@H]([NH2+][C@H]3CCNC4(CCC4)C3)C2)cc1 ZINC000666995756 1047612790 /nfs/dbraw/zinc/61/27/90/1047612790.db2.gz ZFEUHBOLILXYSF-AABGKKOBSA-N 1 3 312.501 4.367 20 0 DIADHO C[C@H](NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000537944906 1047645055 /nfs/dbraw/zinc/64/50/55/1047645055.db2.gz SGHRKGHFOXIZNL-AOIWGVFYSA-N 1 3 312.457 4.231 20 0 DIADHO C[C@H](NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000537944906 1047645058 /nfs/dbraw/zinc/64/50/58/1047645058.db2.gz SGHRKGHFOXIZNL-AOIWGVFYSA-N 1 3 312.457 4.231 20 0 DIADHO CC(C)(C)C(=[NH2+])Nc1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001155181556 1047670703 /nfs/dbraw/zinc/67/07/03/1047670703.db2.gz UKBGNKZOLGEICS-UHFFFAOYSA-N 1 3 322.456 4.075 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@H](c2cccs2)C2CCCC2)C1 ZINC000538985390 1047723820 /nfs/dbraw/zinc/72/38/20/1047723820.db2.gz RMKJPRCGIHIENN-QAPCUYQASA-N 1 3 306.519 4.301 20 0 DIADHO CC[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc2cc(OC)ccc2c1 ZINC000643521428 1047749466 /nfs/dbraw/zinc/74/94/66/1047749466.db2.gz HSXPREOZOKMXJD-QUCCMNQESA-N 1 3 312.457 4.031 20 0 DIADHO C[C@H](CN[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(F)cc(F)c1 ZINC001182961468 1047868172 /nfs/dbraw/zinc/86/81/72/1047868172.db2.gz YYHIHPOSONXJPZ-RDTXWAMCSA-N 1 3 322.443 4.065 20 0 DIADHO C[C@H](CN[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cc(F)cc(F)c1 ZINC001182961468 1047868181 /nfs/dbraw/zinc/86/81/81/1047868181.db2.gz YYHIHPOSONXJPZ-RDTXWAMCSA-N 1 3 322.443 4.065 20 0 DIADHO Cc1cccc2c1CC[C@H]2NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479462982 1047900633 /nfs/dbraw/zinc/90/06/33/1047900633.db2.gz HPHZSIIKOYWLJF-SIKLNZKXSA-N 1 3 320.480 4.094 20 0 DIADHO Cc1cccc2c1CC[C@H]2NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479462982 1047900637 /nfs/dbraw/zinc/90/06/37/1047900637.db2.gz HPHZSIIKOYWLJF-SIKLNZKXSA-N 1 3 320.480 4.094 20 0 DIADHO CC1(C)[C@H](NC2CC([NH+]3CCCCC3)C2)C[C@@H]1c1ccccc1 ZINC000479516360 1047919881 /nfs/dbraw/zinc/91/98/81/1047919881.db2.gz KMWIAPNKAMOGDZ-NTFDOXNWSA-N 1 3 312.501 4.175 20 0 DIADHO CCCCN1CCC([NH2+]Cc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000479535395 1047921081 /nfs/dbraw/zinc/92/10/81/1047921081.db2.gz HQZBLAZGTKTEPU-UHFFFAOYSA-N 1 3 313.489 4.139 20 0 DIADHO CN(C)CC(C)(C)C[N@H+](C)Cc1cccc(C2CCCC2)c1 ZINC001184198444 1048006365 /nfs/dbraw/zinc/00/63/65/1048006365.db2.gz XTSJWKUGPAXWKU-UHFFFAOYSA-N 1 3 302.506 4.364 20 0 DIADHO CN(C)CC(C)(C)C[N@@H+](C)Cc1cccc(C2CCCC2)c1 ZINC001184198444 1048006379 /nfs/dbraw/zinc/00/63/79/1048006379.db2.gz XTSJWKUGPAXWKU-UHFFFAOYSA-N 1 3 302.506 4.364 20 0 DIADHO CC[NH+]1CCC(N[C@@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000480035504 1048031145 /nfs/dbraw/zinc/03/11/45/1048031145.db2.gz CACZBBQWAMDERT-GOSISDBHSA-N 1 3 306.881 4.181 20 0 DIADHO c1ccc2c(c1)CC[N@@H+](CCCNCc1ccc(C3CC3)cc1)C2 ZINC001199239116 1048047421 /nfs/dbraw/zinc/04/74/21/1048047421.db2.gz ZDWCJRGIEAZEBN-UHFFFAOYSA-N 1 3 320.480 4.102 20 0 DIADHO c1ccc2c(c1)CC[N@H+](CCCNCc1ccc(C3CC3)cc1)C2 ZINC001199239116 1048047429 /nfs/dbraw/zinc/04/74/29/1048047429.db2.gz ZDWCJRGIEAZEBN-UHFFFAOYSA-N 1 3 320.480 4.102 20 0 DIADHO Clc1sccc1CNCCCCC[NH+]1CCCCC1 ZINC000480342473 1048128018 /nfs/dbraw/zinc/12/80/18/1048128018.db2.gz MLHINSGQUDGISD-UHFFFAOYSA-N 1 3 300.899 4.147 20 0 DIADHO Cc1ccc([C@H](C)[NH2+]C2CCN(CC3CC3)CC2)cc1Cl ZINC001168362769 1048128059 /nfs/dbraw/zinc/12/80/59/1048128059.db2.gz IBNFTBZHRAYXHI-AWEZNQCLSA-N 1 3 306.881 4.173 20 0 DIADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cc(F)ccc1F ZINC000480608635 1048192091 /nfs/dbraw/zinc/19/20/91/1048192091.db2.gz KKOGQSXTHKIIFC-LSDHHAIUSA-N 1 3 310.432 4.128 20 0 DIADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cc(F)ccc1F ZINC000480608635 1048192098 /nfs/dbraw/zinc/19/20/98/1048192098.db2.gz KKOGQSXTHKIIFC-LSDHHAIUSA-N 1 3 310.432 4.128 20 0 DIADHO c1ccc(CC2([NH2+]C3CCN(C4CCCCC4)CC3)CC2)cc1 ZINC000480685499 1048216967 /nfs/dbraw/zinc/21/69/67/1048216967.db2.gz WSCQJUFDXNZTTJ-UHFFFAOYSA-N 1 3 312.501 4.148 20 0 DIADHO c1ccc(CC2(NC3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000480685499 1048216979 /nfs/dbraw/zinc/21/69/79/1048216979.db2.gz WSCQJUFDXNZTTJ-UHFFFAOYSA-N 1 3 312.501 4.148 20 0 DIADHO Fc1ccccc1[C@H](CC1CC1)[NH2+]C1CCN(CC2CC2)CC1 ZINC001168364664 1048258443 /nfs/dbraw/zinc/25/84/43/1048258443.db2.gz GPAGGTPUBXBFPC-FQEVSTJZSA-N 1 3 316.464 4.131 20 0 DIADHO C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555224953 1048297642 /nfs/dbraw/zinc/29/76/42/1048297642.db2.gz FJJWNPOLXWZYAE-HNJRGHQBSA-N 1 3 300.490 4.033 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2)C1 ZINC000481324023 1048366393 /nfs/dbraw/zinc/36/63/93/1048366393.db2.gz YATOKPFQGBZMBE-IFMALSPDSA-N 1 3 322.496 4.292 20 0 DIADHO CCCCCCN1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001201755870 1048367412 /nfs/dbraw/zinc/36/74/12/1048367412.db2.gz AQOBBJANLBTZCE-UHFFFAOYSA-N 1 3 306.469 4.302 20 0 DIADHO CCCCCCN1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001201755870 1048367421 /nfs/dbraw/zinc/36/74/21/1048367421.db2.gz AQOBBJANLBTZCE-UHFFFAOYSA-N 1 3 306.469 4.302 20 0 DIADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC001206680607 1048401975 /nfs/dbraw/zinc/40/19/75/1048401975.db2.gz NZYWOWLYDASBLU-QZTJIDSGSA-N 1 3 302.506 4.064 20 0 DIADHO CN1CCC[C@@H]1CC[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000481816980 1048492429 /nfs/dbraw/zinc/49/24/29/1048492429.db2.gz SARBTYJHUADOKI-GOSISDBHSA-N 1 3 306.881 4.004 20 0 DIADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(c2ccc(Cl)cc2)CC1 ZINC000481816980 1048492433 /nfs/dbraw/zinc/49/24/33/1048492433.db2.gz SARBTYJHUADOKI-GOSISDBHSA-N 1 3 306.881 4.004 20 0 DIADHO C[N@H+]1CCC[C@@H]1CCN1CCC(c2ccc(Cl)cc2)CC1 ZINC000481816980 1048492437 /nfs/dbraw/zinc/49/24/37/1048492437.db2.gz SARBTYJHUADOKI-GOSISDBHSA-N 1 3 306.881 4.004 20 0 DIADHO CCCN1CCC([N@H+](C)Cc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000481891120 1048526880 /nfs/dbraw/zinc/52/68/80/1048526880.db2.gz JMYGBEDXBIEXIE-UHFFFAOYSA-N 1 3 313.489 4.091 20 0 DIADHO CCCN1CCC([N@@H+](C)Cc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000481891120 1048526895 /nfs/dbraw/zinc/52/68/95/1048526895.db2.gz JMYGBEDXBIEXIE-UHFFFAOYSA-N 1 3 313.489 4.091 20 0 DIADHO CCN1CC[C@@H]([N@H+](C)Cc2cc3c(cc(C)cc3C)[nH]2)C[C@H]1C ZINC000481988733 1048539723 /nfs/dbraw/zinc/53/97/23/1048539723.db2.gz GIFFFFYSJKGLTO-SJLPKXTDSA-N 1 3 313.489 4.089 20 0 DIADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc3c(cc(C)cc3C)[nH]2)C[C@H]1C ZINC000481988733 1048539733 /nfs/dbraw/zinc/53/97/33/1048539733.db2.gz GIFFFFYSJKGLTO-SJLPKXTDSA-N 1 3 313.489 4.089 20 0 DIADHO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000482438076 1048608805 /nfs/dbraw/zinc/60/88/05/1048608805.db2.gz LESARQUQTXOFHI-FPOVZHCZSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1ccccc1[C@H](C)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000482438076 1048608812 /nfs/dbraw/zinc/60/88/12/1048608812.db2.gz LESARQUQTXOFHI-FPOVZHCZSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1ccccc1[C@H](C)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000482438076 1048608819 /nfs/dbraw/zinc/60/88/19/1048608819.db2.gz LESARQUQTXOFHI-FPOVZHCZSA-N 1 3 322.496 4.210 20 0 DIADHO CC[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000482454166 1048611960 /nfs/dbraw/zinc/61/19/60/1048611960.db2.gz WQOBJAKRYHJICS-UNMCSNQZSA-N 1 3 322.496 4.292 20 0 DIADHO CC[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000482454166 1048611968 /nfs/dbraw/zinc/61/19/68/1048611968.db2.gz WQOBJAKRYHJICS-UNMCSNQZSA-N 1 3 322.496 4.292 20 0 DIADHO CC[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000482454166 1048611974 /nfs/dbraw/zinc/61/19/74/1048611974.db2.gz WQOBJAKRYHJICS-UNMCSNQZSA-N 1 3 322.496 4.292 20 0 DIADHO CC[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775367533 1048709477 /nfs/dbraw/zinc/70/94/77/1048709477.db2.gz WTUCHRGCTQJUHA-JKSUJKDBSA-N 1 3 304.478 4.130 20 0 DIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CC=CCC2)ccc1OC ZINC000775411870 1048785611 /nfs/dbraw/zinc/78/56/11/1048785611.db2.gz QYZRCHPRVZOKNY-VQIMIIECSA-N 1 3 316.489 4.296 20 0 DIADHO c1ccc(CN2C[C@@H]3C[C@H]2C[C@@H]([NH2+]CC[C@@H]2CC=CCC2)C3)cc1 ZINC000716654376 1048785669 /nfs/dbraw/zinc/78/56/69/1048785669.db2.gz GAEZJDCFMPDMHM-GBAJDQEWSA-N 1 3 324.512 4.376 20 0 DIADHO Cc1c2[nH]cnc2ccc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001166902021 1048810614 /nfs/dbraw/zinc/81/06/14/1048810614.db2.gz VJLNZLONRFCMAX-IBGZPJMESA-N 1 3 320.440 4.120 20 0 DIADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(-c2ccccc2)c1 ZINC000483721998 1048844963 /nfs/dbraw/zinc/84/49/63/1048844963.db2.gz CRAYOZYNXIGAMA-WWMYMODYSA-N 1 3 308.469 4.487 20 0 DIADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(-c2ccccc2)c1 ZINC000483721998 1048844970 /nfs/dbraw/zinc/84/49/70/1048844970.db2.gz CRAYOZYNXIGAMA-WWMYMODYSA-N 1 3 308.469 4.487 20 0 DIADHO CCCCCOc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000483726135 1048845355 /nfs/dbraw/zinc/84/53/55/1048845355.db2.gz MCFLMTDWMRQREL-LNLFQRSKSA-N 1 3 318.505 4.389 20 0 DIADHO CCCCCOc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000483726135 1048845375 /nfs/dbraw/zinc/84/53/75/1048845375.db2.gz MCFLMTDWMRQREL-LNLFQRSKSA-N 1 3 318.505 4.389 20 0 DIADHO CC(C)N(C)CCC[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC001177231599 1048852315 /nfs/dbraw/zinc/85/23/15/1048852315.db2.gz XAJYXGZMGCICDW-PMACEKPBSA-N 1 3 302.506 4.423 20 0 DIADHO CC(C)N(C)CCC[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC001177231602 1048852435 /nfs/dbraw/zinc/85/24/35/1048852435.db2.gz XAJYXGZMGCICDW-WOJBJXKFSA-N 1 3 302.506 4.423 20 0 DIADHO Cc1ccc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(Cl)c1 ZINC001177289703 1048858151 /nfs/dbraw/zinc/85/81/51/1048858151.db2.gz IXZVJOIKURWLSR-IRXDYDNUSA-N 1 3 322.924 4.496 20 0 DIADHO c1ccc([C@H](CC2CCC2)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC001168368583 1048900463 /nfs/dbraw/zinc/90/04/63/1048900463.db2.gz LVYPRUFJLDEEAE-NRFANRHFSA-N 1 3 312.501 4.382 20 0 DIADHO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCN(CC)CC ZINC001191233222 1048905753 /nfs/dbraw/zinc/90/57/53/1048905753.db2.gz LRKIUKXCBYOVSI-PMACEKPBSA-N 1 3 302.506 4.377 20 0 DIADHO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCN(CC)CC ZINC001191233222 1048905770 /nfs/dbraw/zinc/90/57/70/1048905770.db2.gz LRKIUKXCBYOVSI-PMACEKPBSA-N 1 3 302.506 4.377 20 0 DIADHO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCN(CC)CC ZINC001191233225 1048907574 /nfs/dbraw/zinc/90/75/74/1048907574.db2.gz LRKIUKXCBYOVSI-WOJBJXKFSA-N 1 3 302.506 4.377 20 0 DIADHO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCN(CC)CC ZINC001191233225 1048907584 /nfs/dbraw/zinc/90/75/84/1048907584.db2.gz LRKIUKXCBYOVSI-WOJBJXKFSA-N 1 3 302.506 4.377 20 0 DIADHO CCS[C@H]1CCCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000484308543 1048924769 /nfs/dbraw/zinc/92/47/69/1048924769.db2.gz MMKNKPXXGCJPHF-MOPGFXCFSA-N 1 3 324.578 4.437 20 0 DIADHO CCS[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000484308548 1048925149 /nfs/dbraw/zinc/92/51/49/1048925149.db2.gz MMKNKPXXGCJPHF-OALUTQOASA-N 1 3 324.578 4.437 20 0 DIADHO CCN(C)C[C@H]1CC[N@H+](Cc2c(C)ccc3cc(C)ccc32)C1 ZINC001191390221 1048929111 /nfs/dbraw/zinc/92/91/11/1048929111.db2.gz JROPUZQFJUKSKK-GOSISDBHSA-N 1 3 310.485 4.230 20 0 DIADHO CCN(C)C[C@H]1CC[N@@H+](Cc2c(C)ccc3cc(C)ccc32)C1 ZINC001191390221 1048929121 /nfs/dbraw/zinc/92/91/21/1048929121.db2.gz JROPUZQFJUKSKK-GOSISDBHSA-N 1 3 310.485 4.230 20 0 DIADHO CC[N@H+](C)C[C@H]1CCN(Cc2c(C)ccc3cc(C)ccc32)C1 ZINC001191390221 1048929130 /nfs/dbraw/zinc/92/91/30/1048929130.db2.gz JROPUZQFJUKSKK-GOSISDBHSA-N 1 3 310.485 4.230 20 0 DIADHO CC[N@@H+](C)C[C@H]1CCN(Cc2c(C)ccc3cc(C)ccc32)C1 ZINC001191390221 1048929141 /nfs/dbraw/zinc/92/91/41/1048929141.db2.gz JROPUZQFJUKSKK-GOSISDBHSA-N 1 3 310.485 4.230 20 0 DIADHO CCN(C)C[C@@H]1CC[N@H+](Cc2c(C)ccc3cc(C)ccc32)C1 ZINC001191390222 1048931103 /nfs/dbraw/zinc/93/11/03/1048931103.db2.gz JROPUZQFJUKSKK-SFHVURJKSA-N 1 3 310.485 4.230 20 0 DIADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2c(C)ccc3cc(C)ccc32)C1 ZINC001191390222 1048931118 /nfs/dbraw/zinc/93/11/18/1048931118.db2.gz JROPUZQFJUKSKK-SFHVURJKSA-N 1 3 310.485 4.230 20 0 DIADHO CC[N@H+](C)C[C@@H]1CCN(Cc2c(C)ccc3cc(C)ccc32)C1 ZINC001191390222 1048931137 /nfs/dbraw/zinc/93/11/37/1048931137.db2.gz JROPUZQFJUKSKK-SFHVURJKSA-N 1 3 310.485 4.230 20 0 DIADHO CC[N@@H+](C)C[C@@H]1CCN(Cc2c(C)ccc3cc(C)ccc32)C1 ZINC001191390222 1048931153 /nfs/dbraw/zinc/93/11/53/1048931153.db2.gz JROPUZQFJUKSKK-SFHVURJKSA-N 1 3 310.485 4.230 20 0 DIADHO c1ccc2c(c1)CC[C@@H]2C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001177855414 1048954213 /nfs/dbraw/zinc/95/42/13/1048954213.db2.gz VHUYEMMDLJZZQA-GOSISDBHSA-N 1 3 312.501 4.103 20 0 DIADHO c1ccc2c(c1)CC[C@H]2C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001177855415 1048954284 /nfs/dbraw/zinc/95/42/84/1048954284.db2.gz VHUYEMMDLJZZQA-SFHVURJKSA-N 1 3 312.501 4.103 20 0 DIADHO Cc1ccccc1C[NH+]1CCC2(CCN(Cc3ccoc3)C2)CC1 ZINC001203703934 1048970518 /nfs/dbraw/zinc/97/05/18/1048970518.db2.gz CAFSPLPLQFDLDR-UHFFFAOYSA-N 1 3 324.468 4.076 20 0 DIADHO c1ccc([C@@H]2C[C@H]2C[NH2+]C2CCN(CC3CCCC3)CC2)cc1 ZINC001178412233 1049037173 /nfs/dbraw/zinc/03/71/73/1049037173.db2.gz IICKIELDQCONCA-FPOVZHCZSA-N 1 3 312.501 4.034 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(C(F)F)c(F)c2)cc1 ZINC000904351428 1049038996 /nfs/dbraw/zinc/03/89/96/1049038996.db2.gz YGMYRITZALEUFG-LLVKDONJSA-N 1 3 308.347 4.073 20 0 DIADHO Cc1ccc([C@@H](C)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000195132161 1049069942 /nfs/dbraw/zinc/06/99/42/1049069942.db2.gz YMYSLWZTYDQSKP-SJLPKXTDSA-N 1 3 314.498 4.229 20 0 DIADHO Cc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000195132161 1049069956 /nfs/dbraw/zinc/06/99/56/1049069956.db2.gz YMYSLWZTYDQSKP-SJLPKXTDSA-N 1 3 314.498 4.229 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2ccc(OCCC)cc2)CC1 ZINC001204310654 1049138464 /nfs/dbraw/zinc/13/84/64/1049138464.db2.gz YKWUOJTUNVXUPP-UHFFFAOYSA-N 1 3 318.505 4.172 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2ccc(OCCC)cc2)CC1 ZINC001204310654 1049138470 /nfs/dbraw/zinc/13/84/70/1049138470.db2.gz YKWUOJTUNVXUPP-UHFFFAOYSA-N 1 3 318.505 4.172 20 0 DIADHO CCC[N@H+](CCCN(C)C)Cc1ccc(F)cc1C(F)(F)F ZINC001204483870 1049172992 /nfs/dbraw/zinc/17/29/92/1049172992.db2.gz CMUBQZXLVHVUKZ-UHFFFAOYSA-N 1 3 320.374 4.008 20 0 DIADHO CCC[N@@H+](CCCN(C)C)Cc1ccc(F)cc1C(F)(F)F ZINC001204483870 1049172995 /nfs/dbraw/zinc/17/29/95/1049172995.db2.gz CMUBQZXLVHVUKZ-UHFFFAOYSA-N 1 3 320.374 4.008 20 0 DIADHO CN1CCC[C@@H]2C[N@@H+](C3c4ccccc4-c4ccccc43)CC[C@H]21 ZINC000485335777 1049224010 /nfs/dbraw/zinc/22/40/10/1049224010.db2.gz GQCAAPFTYMNWOC-IIBYNOLFSA-N 1 3 318.464 4.173 20 0 DIADHO CN1CCC[C@@H]2C[N@H+](C3c4ccccc4-c4ccccc43)CC[C@H]21 ZINC000485335777 1049224021 /nfs/dbraw/zinc/22/40/21/1049224021.db2.gz GQCAAPFTYMNWOC-IIBYNOLFSA-N 1 3 318.464 4.173 20 0 DIADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(C)(C)C)cc1 ZINC000195651614 1049244880 /nfs/dbraw/zinc/24/48/80/1049244880.db2.gz BBENRTRHLUTFRK-HZPDHXFCSA-N 1 3 300.490 4.119 20 0 DIADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C(C)(C)C)cc1 ZINC000195651614 1049244893 /nfs/dbraw/zinc/24/48/93/1049244893.db2.gz BBENRTRHLUTFRK-HZPDHXFCSA-N 1 3 300.490 4.119 20 0 DIADHO Cc1ccccc1SC[C@@H](C)C[N@H+](C)CCCN1CCCC1 ZINC001193848129 1049275030 /nfs/dbraw/zinc/27/50/30/1049275030.db2.gz AIMIMXRPQQAZNI-KRWDZBQOSA-N 1 3 320.546 4.141 20 0 DIADHO Cc1ccccc1SC[C@@H](C)C[N@@H+](C)CCCN1CCCC1 ZINC001193848129 1049275043 /nfs/dbraw/zinc/27/50/43/1049275043.db2.gz AIMIMXRPQQAZNI-KRWDZBQOSA-N 1 3 320.546 4.141 20 0 DIADHO Cc1ccccc1SC[C@@H](C)CN(C)CCC[NH+]1CCCC1 ZINC001193848129 1049275063 /nfs/dbraw/zinc/27/50/63/1049275063.db2.gz AIMIMXRPQQAZNI-KRWDZBQOSA-N 1 3 320.546 4.141 20 0 DIADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001204937433 1049316119 /nfs/dbraw/zinc/31/61/19/1049316119.db2.gz JUYVYUIWLZIOFB-SSSFQFABSA-N 1 3 312.501 4.065 20 0 DIADHO C[C@H]1CC[C@@H](C[NH3+])N1Cc1cccc2c3ccccc3sc21 ZINC001205068342 1049360146 /nfs/dbraw/zinc/36/01/46/1049360146.db2.gz GUOZWRBOIBWJHB-ZFWWWQNUSA-N 1 3 310.466 4.366 20 0 DIADHO CCn1c2ccccc2c2cc(CN3CCC[C@H]([NH3+])CC3)ccc21 ZINC001205109466 1049380422 /nfs/dbraw/zinc/38/04/22/1049380422.db2.gz GROODRQMWLSOGU-KRWDZBQOSA-N 1 3 321.468 4.128 20 0 DIADHO Cc1cccc(C)c1-c1cccc(CN2CCC[C@@H]([NH3+])CC2)c1 ZINC001205124433 1049385994 /nfs/dbraw/zinc/38/59/94/1049385994.db2.gz RLXVGXASXMJYOF-HXUWFJFHSA-N 1 3 308.469 4.284 20 0 DIADHO C[C@H]1CN(Cc2ccc3sc4ccccc4c3c2)C[C@H]1C[NH3+] ZINC001205151514 1049396199 /nfs/dbraw/zinc/39/61/99/1049396199.db2.gz WDVHXQGWTGFHML-DZGCQCFKSA-N 1 3 310.466 4.081 20 0 DIADHO C[C@@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC001180978367 1049426398 /nfs/dbraw/zinc/42/63/98/1049426398.db2.gz ZRHOUEDQSMSNED-LZLYRXPVSA-N 1 3 314.498 4.309 20 0 DIADHO C[C@@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC001180978367 1049426401 /nfs/dbraw/zinc/42/64/01/1049426401.db2.gz ZRHOUEDQSMSNED-LZLYRXPVSA-N 1 3 314.498 4.309 20 0 DIADHO COc1ccc(-c2ccccc2)c(CN2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205288754 1049428854 /nfs/dbraw/zinc/42/88/54/1049428854.db2.gz ODNITYAFPPWIPR-OAQYLSRUSA-N 1 3 324.468 4.066 20 0 DIADHO C[C@@]1([NH3+])CCCN(Cc2ccc(C3CCCCC3)cc2)CC1 ZINC001205296305 1049430711 /nfs/dbraw/zinc/43/07/11/1049430711.db2.gz LOTBMVBUCJHZQP-HXUWFJFHSA-N 1 3 300.490 4.438 20 0 DIADHO C[C@@H]1CCN(Cc2ccc3oc4ccccc4c3c2)C[C@@H]1C[NH3+] ZINC001205303653 1049432663 /nfs/dbraw/zinc/43/26/63/1049432663.db2.gz JBTBZNXMEMRIGA-ZBFHGGJFSA-N 1 3 308.425 4.003 20 0 DIADHO C[C@@H]1CCNCC[N@@H+]1Cc1ccccc1-c1ccc(Cl)cc1 ZINC001205331527 1049441546 /nfs/dbraw/zinc/44/15/46/1049441546.db2.gz HOELSMIIYGRIHU-OAHLLOKOSA-N 1 3 314.860 4.191 20 0 DIADHO C[C@@H]1CCNCC[N@H+]1Cc1ccccc1-c1ccc(Cl)cc1 ZINC001205331527 1049441552 /nfs/dbraw/zinc/44/15/52/1049441552.db2.gz HOELSMIIYGRIHU-OAHLLOKOSA-N 1 3 314.860 4.191 20 0 DIADHO CC[C@H](CCc1ccccc1)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC001205390742 1049456831 /nfs/dbraw/zinc/45/68/31/1049456831.db2.gz CPIYTZQVLBEAKJ-UYAOXDASSA-N 1 3 302.506 4.252 20 0 DIADHO C[C@H](NCCC[N@H+](C)Cc1ccccc1)c1cc2ccccc2[nH]1 ZINC000775624162 1049457408 /nfs/dbraw/zinc/45/74/08/1049457408.db2.gz YHWLAGHOHDCEFM-KRWDZBQOSA-N 1 3 321.468 4.341 20 0 DIADHO C[C@H](NCCC[N@@H+](C)Cc1ccccc1)c1cc2ccccc2[nH]1 ZINC000775624162 1049457411 /nfs/dbraw/zinc/45/74/11/1049457411.db2.gz YHWLAGHOHDCEFM-KRWDZBQOSA-N 1 3 321.468 4.341 20 0 DIADHO CC(C)(C[NH2+][C@H]1CCCC[C@H]1c1ccccc1)CN1CCCC1 ZINC001181427854 1049473505 /nfs/dbraw/zinc/47/35/05/1049473505.db2.gz PCRKQHDSLHKBHB-PMACEKPBSA-N 1 3 314.517 4.424 20 0 DIADHO Cc1cc(Cl)c(CN2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(Cl)c1 ZINC001205639444 1049518844 /nfs/dbraw/zinc/51/88/44/1049518844.db2.gz ZAMVSLCNOPTXBY-CHWSQXEVSA-N 1 3 315.288 4.109 20 0 DIADHO Cc1cc(Cl)c(Cl)cc1CN1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205654163 1049522869 /nfs/dbraw/zinc/52/28/69/1049522869.db2.gz WOVJHUUCQTWPTN-WCQYABFASA-N 1 3 315.288 4.109 20 0 DIADHO CCSc1cccc(C[N@H+](CC)CCCN2CCCC2)c1 ZINC001205692838 1049536283 /nfs/dbraw/zinc/53/62/83/1049536283.db2.gz LQLVYSGQWACDJV-UHFFFAOYSA-N 1 3 306.519 4.106 20 0 DIADHO CCSc1cccc(C[N@@H+](CC)CCCN2CCCC2)c1 ZINC001205692838 1049536296 /nfs/dbraw/zinc/53/62/96/1049536296.db2.gz LQLVYSGQWACDJV-UHFFFAOYSA-N 1 3 306.519 4.106 20 0 DIADHO CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CCC[C@@H](CN)[C@H]2C)cc1 ZINC001205902243 1049596884 /nfs/dbraw/zinc/59/68/84/1049596884.db2.gz JDQGJARCZHTMEK-HLIPFELVSA-N 1 3 302.506 4.048 20 0 DIADHO CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCC[C@@H](CN)[C@H]2C)cc1 ZINC001205902243 1049596899 /nfs/dbraw/zinc/59/68/99/1049596899.db2.gz JDQGJARCZHTMEK-HLIPFELVSA-N 1 3 302.506 4.048 20 0 DIADHO N[C@H]1CCCC[N@H+](Cc2ccc(-c3ccccc3Cl)cc2)C1 ZINC001205932713 1049606053 /nfs/dbraw/zinc/60/60/53/1049606053.db2.gz TWLUZKJMFFMUDC-KRWDZBQOSA-N 1 3 314.860 4.320 20 0 DIADHO N[C@H]1CCCC[N@@H+](Cc2ccc(-c3ccccc3Cl)cc2)C1 ZINC001205932713 1049606059 /nfs/dbraw/zinc/60/60/59/1049606059.db2.gz TWLUZKJMFFMUDC-KRWDZBQOSA-N 1 3 314.860 4.320 20 0 DIADHO Cc1ccccc1-c1ccccc1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001206004861 1049626526 /nfs/dbraw/zinc/62/65/26/1049626526.db2.gz HXBCYZBMPIJRCR-QFIPXVFZSA-N 1 3 320.480 4.190 20 0 DIADHO Cc1ccccc1-c1ccccc1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001206004861 1049626531 /nfs/dbraw/zinc/62/65/31/1049626531.db2.gz HXBCYZBMPIJRCR-QFIPXVFZSA-N 1 3 320.480 4.190 20 0 DIADHO Cc1ccc(Cl)c(CN2CCC[C@H](C[NH3+])[C@H](C)C2)c1Cl ZINC001206027318 1049632365 /nfs/dbraw/zinc/63/23/65/1049632365.db2.gz WDQQWDHGKGDYIU-CHWSQXEVSA-N 1 3 315.288 4.109 20 0 DIADHO CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)CS1 ZINC000488432032 1049653047 /nfs/dbraw/zinc/65/30/47/1049653047.db2.gz IFZLVADUWNFWKD-ZWKOTPCHSA-N 1 3 324.578 4.151 20 0 DIADHO CC(C)(C)[C@H]1C[C@H](NC2CC[NH+](CC3CCCC3)CC2)CS1 ZINC000488432032 1049653050 /nfs/dbraw/zinc/65/30/50/1049653050.db2.gz IFZLVADUWNFWKD-ZWKOTPCHSA-N 1 3 324.578 4.151 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CS1 ZINC000488453575 1049658453 /nfs/dbraw/zinc/65/84/53/1049658453.db2.gz WTCFBEOMXFTERR-AEFFLSMTSA-N 1 3 324.578 4.293 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)CS1 ZINC000488453575 1049658459 /nfs/dbraw/zinc/65/84/59/1049658459.db2.gz WTCFBEOMXFTERR-AEFFLSMTSA-N 1 3 324.578 4.293 20 0 DIADHO C[C@@H](c1ccc(F)c(Cl)c1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001196789867 1049688487 /nfs/dbraw/zinc/68/84/87/1049688487.db2.gz PCMQAZXUOIIXIV-AWEZNQCLSA-N 1 3 324.871 4.348 20 0 DIADHO [NH3+]CCC1CCN(Cc2sc(Cl)c3ccccc32)CC1 ZINC001206506644 1049746984 /nfs/dbraw/zinc/74/69/84/1049746984.db2.gz JDGIVPBGHAZMFK-UHFFFAOYSA-N 1 3 308.878 4.116 20 0 DIADHO CC[N@H+](CCCN[C@H](C)Cc1ccc(F)cc1)C1CCCCC1 ZINC001206559192 1049754878 /nfs/dbraw/zinc/75/48/78/1049754878.db2.gz AQJBPHKJMMCHHS-QGZVFWFLSA-N 1 3 320.496 4.391 20 0 DIADHO CC[N@@H+](CCCN[C@H](C)Cc1ccc(F)cc1)C1CCCCC1 ZINC001206559192 1049754885 /nfs/dbraw/zinc/75/48/85/1049754885.db2.gz AQJBPHKJMMCHHS-QGZVFWFLSA-N 1 3 320.496 4.391 20 0 DIADHO C[C@]1(C[NH3+])CCCCN(Cc2ccc(-c3ccccc3)s2)C1 ZINC001206556902 1049755567 /nfs/dbraw/zinc/75/55/67/1049755567.db2.gz ZLQOGQQKOWVCTI-LJQANCHMSA-N 1 3 314.498 4.366 20 0 DIADHO Cc1cc(CN2CCCC[C@@](C)(C[NH3+])C2)cc(C)c1OC(C)C ZINC001206572529 1049758831 /nfs/dbraw/zinc/75/88/31/1049758831.db2.gz CGNBRXPXERAESS-FQEVSTJZSA-N 1 3 318.505 4.042 20 0 DIADHO CC(C)N(Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206580082 1049762964 /nfs/dbraw/zinc/76/29/64/1049762964.db2.gz CBCIYFUUQLXYOQ-CQSZACIVSA-N 1 3 315.288 4.346 20 0 DIADHO CC(C)N(Cc1ccccc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC001206582700 1049763014 /nfs/dbraw/zinc/76/30/14/1049763014.db2.gz OMXRGJDLRFQEIB-HNNXBMFYSA-N 1 3 314.395 4.058 20 0 DIADHO CC(C)N(Cc1cccc(OC(C)(C)C)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206597654 1049765490 /nfs/dbraw/zinc/76/54/90/1049765490.db2.gz DTPYFGMKSVMIII-GOSISDBHSA-N 1 3 318.505 4.216 20 0 DIADHO CC(C)N(Cc1ccc(-c2ccccc2)o1)[C@H]1CCC[NH2+]CC1 ZINC001206599091 1049766021 /nfs/dbraw/zinc/76/60/21/1049766021.db2.gz NLNLTMPQHDPKKS-SFHVURJKSA-N 1 3 312.457 4.299 20 0 DIADHO CC(C)N(Cc1ccc(F)c(C2CC2)c1)[C@H]1CCC[NH2+]CC1 ZINC001206597408 1049766218 /nfs/dbraw/zinc/76/62/18/1049766218.db2.gz CCBVHYAFUUIMJZ-KRWDZBQOSA-N 1 3 304.453 4.056 20 0 DIADHO [NH3+]C[C@@H]1CCCCN(Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC001206616050 1049769851 /nfs/dbraw/zinc/76/98/51/1049769851.db2.gz MNBNKCBGEUTDMX-AWEZNQCLSA-N 1 3 318.848 4.161 20 0 DIADHO CCCCCCOc1ccc(CN2CCCC[C@H](C[NH3+])C2)cc1 ZINC001206615491 1049770075 /nfs/dbraw/zinc/77/00/75/1049770075.db2.gz GEACTMUNTMNSMY-LJQANCHMSA-N 1 3 318.505 4.207 20 0 DIADHO [NH3+]C[C@@H]1CCCCN(Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001206616418 1049770712 /nfs/dbraw/zinc/77/07/12/1049770712.db2.gz NYACMRSMCDNKPS-AWEZNQCLSA-N 1 3 318.848 4.161 20 0 DIADHO CC(C)c1ccc(CCN[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001206715793 1049783825 /nfs/dbraw/zinc/78/38/25/1049783825.db2.gz XYHNALIHBSGSOO-HXUWFJFHSA-N 1 3 314.517 4.349 20 0 DIADHO CC(C)c1ccc(CCN[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC001206715793 1049783830 /nfs/dbraw/zinc/78/38/30/1049783830.db2.gz XYHNALIHBSGSOO-HXUWFJFHSA-N 1 3 314.517 4.349 20 0 DIADHO Cc1csc2sc(CN3C[C@@H](C[NH3+])CC[C@H]3C)c(C)c12 ZINC001206769079 1049795766 /nfs/dbraw/zinc/79/57/66/1049795766.db2.gz NHKGILVOTFWFGJ-DGCLKSJQSA-N 1 3 308.516 4.139 20 0 DIADHO CC[C@H](NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccc(F)cn1 ZINC000490152905 1049803040 /nfs/dbraw/zinc/80/30/40/1049803040.db2.gz YURWWNJMEJAYPR-BQFCYCMXSA-N 1 3 321.484 4.020 20 0 DIADHO C[NH+]1CCC(C2CCN(Cc3cccc(C(F)F)c3)CC2)CC1 ZINC001207130816 1049841632 /nfs/dbraw/zinc/84/16/32/1049841632.db2.gz FIHKQYRXBWKPAU-UHFFFAOYSA-N 1 3 322.443 4.178 20 0 DIADHO Fc1cccc(CCC[N@@H+]2CCCC[C@@H]2CCN2CCCC2)c1 ZINC001207602082 1049915940 /nfs/dbraw/zinc/91/59/40/1049915940.db2.gz NGDSRNKXHGTNQG-HXUWFJFHSA-N 1 3 318.480 4.099 20 0 DIADHO Fc1cccc(CCC[N@H+]2CCCC[C@@H]2CCN2CCCC2)c1 ZINC001207602082 1049915941 /nfs/dbraw/zinc/91/59/41/1049915941.db2.gz NGDSRNKXHGTNQG-HXUWFJFHSA-N 1 3 318.480 4.099 20 0 DIADHO Fc1cccc(CCCN2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001207602082 1049915942 /nfs/dbraw/zinc/91/59/42/1049915942.db2.gz NGDSRNKXHGTNQG-HXUWFJFHSA-N 1 3 318.480 4.099 20 0 DIADHO CN1C[C@@H]2CC[C@H]([NH2+]CC3CCC4(CCCCC4)CC3)[C@H]2C1 ZINC001207836656 1049942890 /nfs/dbraw/zinc/94/28/90/1049942890.db2.gz KOFPLPLTOQIAMC-FHWLQOOXSA-N 1 3 304.522 4.057 20 0 DIADHO CC(C)=CCCC1=CC[C@H](C[NH+]2CCC3(CN(C)C3)CC2)CC1 ZINC001207936681 1049958593 /nfs/dbraw/zinc/95/85/93/1049958593.db2.gz CCYRYOWJCSQZLB-FQEVSTJZSA-N 1 3 316.533 4.487 20 0 DIADHO CN(CCc1ccccc1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208930052 1050025026 /nfs/dbraw/zinc/02/50/26/1050025026.db2.gz YWEGXGUNPZZREJ-QFIPXVFZSA-N 1 3 322.496 4.073 20 0 DIADHO CN(CCc1ccccc1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208930052 1050025032 /nfs/dbraw/zinc/02/50/32/1050025032.db2.gz YWEGXGUNPZZREJ-QFIPXVFZSA-N 1 3 322.496 4.073 20 0 DIADHO c1ccc(CN2CCC[C@H](C[N@@H+]3CCC[C@H]4CCC[C@@H]43)C2)cc1 ZINC001208939919 1050027561 /nfs/dbraw/zinc/02/75/61/1050027561.db2.gz LHPPAQALTNZKKE-HBMCJLEFSA-N 1 3 312.501 4.163 20 0 DIADHO c1ccc(CN2CCC[C@H](C[N@H+]3CCC[C@H]4CCC[C@@H]43)C2)cc1 ZINC001208939919 1050027565 /nfs/dbraw/zinc/02/75/65/1050027565.db2.gz LHPPAQALTNZKKE-HBMCJLEFSA-N 1 3 312.501 4.163 20 0 DIADHO c1ccc(C[N@H+]2CC[C@@H](CN3CC[C@H]4CCCC[C@H]4C3)C2)cc1 ZINC001208950319 1050029336 /nfs/dbraw/zinc/02/93/36/1050029336.db2.gz RXHQKRYBMCKDGH-NJYVYQBISA-N 1 3 312.501 4.021 20 0 DIADHO c1ccc(C[N@@H+]2CC[C@@H](CN3CC[C@H]4CCCC[C@H]4C3)C2)cc1 ZINC001208950319 1050029341 /nfs/dbraw/zinc/02/93/41/1050029341.db2.gz RXHQKRYBMCKDGH-NJYVYQBISA-N 1 3 312.501 4.021 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC001209515661 1050064818 /nfs/dbraw/zinc/06/48/18/1050064818.db2.gz ZSCKVFGQDJPMLC-RBUKOAKNSA-N 1 3 311.473 4.007 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC001209515661 1050064820 /nfs/dbraw/zinc/06/48/20/1050064820.db2.gz ZSCKVFGQDJPMLC-RBUKOAKNSA-N 1 3 311.473 4.007 20 0 DIADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1ccc2cc[nH]c2c1 ZINC001209515661 1050064824 /nfs/dbraw/zinc/06/48/24/1050064824.db2.gz ZSCKVFGQDJPMLC-RBUKOAKNSA-N 1 3 311.473 4.007 20 0 DIADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1ccc2cc[nH]c2c1 ZINC001209515661 1050064827 /nfs/dbraw/zinc/06/48/27/1050064827.db2.gz ZSCKVFGQDJPMLC-RBUKOAKNSA-N 1 3 311.473 4.007 20 0 DIADHO CC(C)[N@H+](C)CC1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000590786436 1050106496 /nfs/dbraw/zinc/10/64/96/1050106496.db2.gz XFNKRLLGADUNFF-HNNXBMFYSA-N 1 3 308.897 4.453 20 0 DIADHO CC(C)[N@@H+](C)CC1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000590786436 1050106498 /nfs/dbraw/zinc/10/64/98/1050106498.db2.gz XFNKRLLGADUNFF-HNNXBMFYSA-N 1 3 308.897 4.453 20 0 DIADHO C[N@H+](CCCN[C@H]1CCCNc2ccccc21)Cc1ccccc1 ZINC000347952604 1050164122 /nfs/dbraw/zinc/16/41/22/1050164122.db2.gz YIZSXMRWRUBYEN-NRFANRHFSA-N 1 3 323.484 4.045 20 0 DIADHO C[N@@H+](CCCN[C@H]1CCCNc2ccccc21)Cc1ccccc1 ZINC000347952604 1050164126 /nfs/dbraw/zinc/16/41/26/1050164126.db2.gz YIZSXMRWRUBYEN-NRFANRHFSA-N 1 3 323.484 4.045 20 0 DIADHO CC[NH2+]CC1CCN(Cc2cnc(C3CCCCC3)s2)CC1 ZINC000574277176 1050405754 /nfs/dbraw/zinc/40/57/54/1050405754.db2.gz MIYLZGFRRCEEBL-UHFFFAOYSA-N 1 3 321.534 4.012 20 0 DIADHO Cc1nc2ccc(Nc3ccc(C4CC[NH+](C)CC4)cc3)cc2[nH]1 ZINC001213073111 1050577446 /nfs/dbraw/zinc/57/74/46/1050577446.db2.gz DZHUGXBNKKAKFQ-UHFFFAOYSA-N 1 3 320.440 4.424 20 0 DIADHO COc1cccc(C2([NH3+])CCN([C@H](C)CCCC(C)C)CC2)c1 ZINC001170071456 1050582345 /nfs/dbraw/zinc/58/23/45/1050582345.db2.gz OQJXLDUEGFRNQG-QGZVFWFLSA-N 1 3 318.505 4.160 20 0 DIADHO CC(C)CCC[C@H](C)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001170072242 1050594161 /nfs/dbraw/zinc/59/41/61/1050594161.db2.gz ZSCGSRLJVILWPE-SFHVURJKSA-N 1 3 317.521 4.098 20 0 DIADHO [NH3+]Cc1ccc(CN[C@H](c2ccccc2F)C2CCCC2)cc1 ZINC000575124159 1050643091 /nfs/dbraw/zinc/64/30/91/1050643091.db2.gz QNHXRFGSJNYGGB-FQEVSTJZSA-N 1 3 312.432 4.306 20 0 DIADHO c1cc2cccc(C[N@H+]3CCCC[C@@H]3CCN3CCCC3)c2[nH]1 ZINC001144717014 1050667863 /nfs/dbraw/zinc/66/78/63/1050667863.db2.gz VGOBDYAGBFFFGS-LJQANCHMSA-N 1 3 311.473 4.008 20 0 DIADHO c1cc2cccc(C[N@@H+]3CCCC[C@@H]3CCN3CCCC3)c2[nH]1 ZINC001144717014 1050667871 /nfs/dbraw/zinc/66/78/71/1050667871.db2.gz VGOBDYAGBFFFGS-LJQANCHMSA-N 1 3 311.473 4.008 20 0 DIADHO c1cc2cccc(CN3CCCC[C@@H]3CC[NH+]3CCCC3)c2[nH]1 ZINC001144717014 1050667878 /nfs/dbraw/zinc/66/78/78/1050667878.db2.gz VGOBDYAGBFFFGS-LJQANCHMSA-N 1 3 311.473 4.008 20 0 DIADHO C[C@H](c1ccccc1Cl)N(CC1CC[NH+](C)CC1)C1CC1 ZINC000788477716 1050687897 /nfs/dbraw/zinc/68/78/97/1050687897.db2.gz YOXYBFVBISWQEB-CQSZACIVSA-N 1 3 306.881 4.207 20 0 DIADHO C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001170117879 1050882906 /nfs/dbraw/zinc/88/29/06/1050882906.db2.gz OLRWWXGYOUZQSO-BEFAXECRSA-N 1 3 320.908 4.330 20 0 DIADHO CCCCCC[C@H](CCC)N1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001246941573 1050887142 /nfs/dbraw/zinc/88/71/42/1050887142.db2.gz WHCRDBNOWYYXTP-ZNMIVQPWSA-N 1 3 308.432 4.337 20 0 DIADHO CC[N@H+](Cc1ccccc1)C1CCN([C@H]2CC[C@@H](C)C2)CC1 ZINC001170151633 1051037071 /nfs/dbraw/zinc/03/70/71/1051037071.db2.gz HUXVJLOMVQSCPV-XLIONFOSSA-N 1 3 300.490 4.162 20 0 DIADHO CC[N@@H+](Cc1ccccc1)C1CCN([C@H]2CC[C@@H](C)C2)CC1 ZINC001170151633 1051037076 /nfs/dbraw/zinc/03/70/76/1051037076.db2.gz HUXVJLOMVQSCPV-XLIONFOSSA-N 1 3 300.490 4.162 20 0 DIADHO CN1C(C)(C)CC([NH2+]C[C@@H]2CCCC(F)(F)C2)CC1(C)C ZINC001171629674 1051171636 /nfs/dbraw/zinc/17/16/36/1051171636.db2.gz BSBRNRSNMIDSFY-CYBMUJFWSA-N 1 3 302.453 4.053 20 0 DIADHO Cc1cccc2c1CC[N@@H+](C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171632007 1051174641 /nfs/dbraw/zinc/17/46/41/1051174641.db2.gz SMXYFZQJSIWUCC-UHFFFAOYSA-N 1 3 300.490 4.005 20 0 DIADHO Cc1cccc2c1CC[N@H+](C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171632007 1051174645 /nfs/dbraw/zinc/17/46/45/1051174645.db2.gz SMXYFZQJSIWUCC-UHFFFAOYSA-N 1 3 300.490 4.005 20 0 DIADHO Cc1cccc2c1CCN(C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171632007 1051174654 /nfs/dbraw/zinc/17/46/54/1051174654.db2.gz SMXYFZQJSIWUCC-UHFFFAOYSA-N 1 3 300.490 4.005 20 0 DIADHO CN1C(C)(C)CC([NH2+]C2(Cc3ccc(F)cc3)CC2)CC1(C)C ZINC001171630463 1051174749 /nfs/dbraw/zinc/17/47/49/1051174749.db2.gz OIVQAYZTDGZZNG-UHFFFAOYSA-N 1 3 318.480 4.142 20 0 DIADHO C[NH+]1C(C)(C)CC(NC2(Cc3ccc(F)cc3)CC2)CC1(C)C ZINC001171630463 1051174757 /nfs/dbraw/zinc/17/47/57/1051174757.db2.gz OIVQAYZTDGZZNG-UHFFFAOYSA-N 1 3 318.480 4.142 20 0 DIADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H](c3ccccc3)C2)CC1(C)C ZINC001171631187 1051175538 /nfs/dbraw/zinc/17/55/38/1051175538.db2.gz GCVLNLJUZUGMSJ-QGZVFWFLSA-N 1 3 300.490 4.127 20 0 DIADHO CN1C(C)(C)CC([N@H+]2CC[C@@H](c3ccccc3)C2)CC1(C)C ZINC001171631187 1051175543 /nfs/dbraw/zinc/17/55/43/1051175543.db2.gz GCVLNLJUZUGMSJ-QGZVFWFLSA-N 1 3 300.490 4.127 20 0 DIADHO C[C@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)CCC1(F)F ZINC001171632239 1051175600 /nfs/dbraw/zinc/17/56/00/1051175600.db2.gz XXNLQHVENYRTNC-ZDUSSCGKSA-N 1 3 302.453 4.005 20 0 DIADHO C[C@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)CCC1(F)F ZINC001171632239 1051175601 /nfs/dbraw/zinc/17/56/01/1051175601.db2.gz XXNLQHVENYRTNC-ZDUSSCGKSA-N 1 3 302.453 4.005 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@@H](c2ccccc2)C2CC2)CC1(C)C ZINC001171613785 1051176663 /nfs/dbraw/zinc/17/66/63/1051176663.db2.gz PZQSGZATBGRUFZ-SFHVURJKSA-N 1 3 300.490 4.379 20 0 DIADHO CN1C(C)(C)CC([NH2+]C2(Cc3ccccc3)CC2)CC1(C)C ZINC001171619041 1051177222 /nfs/dbraw/zinc/17/72/22/1051177222.db2.gz FMUOQZKYOJHXOW-UHFFFAOYSA-N 1 3 300.490 4.003 20 0 DIADHO CN1C(C)(C)CC([NH2+]C23CC4CC(CC(C4)C2)C3)CC1(C)C ZINC001171620128 1051179417 /nfs/dbraw/zinc/17/94/17/1051179417.db2.gz USIHWRYHPGLLRR-UHFFFAOYSA-N 1 3 304.522 4.196 20 0 DIADHO Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171623073 1051179435 /nfs/dbraw/zinc/17/94/35/1051179435.db2.gz JOPVMEHMGUGLOG-GOSISDBHSA-N 1 3 300.490 4.223 20 0 DIADHO C[C@@H]1C[C@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)c2ccccc21 ZINC001171622911 1051180614 /nfs/dbraw/zinc/18/06/14/1051180614.db2.gz CNDXWEPKSQYEKI-KDOFPFPSSA-N 1 3 300.490 4.476 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1)c1cccnc1 ZINC001171966020 1051249101 /nfs/dbraw/zinc/24/91/01/1051249101.db2.gz SDYBQQRGWBKNDR-FXAWDEMLSA-N 1 3 323.484 4.175 20 0 DIADHO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC001171969189 1051259293 /nfs/dbraw/zinc/25/92/93/1051259293.db2.gz UIIOALPZTOHBLB-HKUYNNGSSA-N 1 3 323.484 4.175 20 0 DIADHO C[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)CCCC2 ZINC001172100256 1051284191 /nfs/dbraw/zinc/28/41/91/1051284191.db2.gz CBRPBKQNKPAJLX-HUJKARHJSA-N 1 3 312.501 4.231 20 0 DIADHO C[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)CCCC2 ZINC001172100256 1051284212 /nfs/dbraw/zinc/28/42/12/1051284212.db2.gz CBRPBKQNKPAJLX-HUJKARHJSA-N 1 3 312.501 4.231 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCSc1ccc(Cl)cc1)C2 ZINC001172100248 1051286758 /nfs/dbraw/zinc/28/67/58/1051286758.db2.gz CAFVEFFMFILZKW-MUJYYYPQSA-N 1 3 324.921 4.037 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCSc1ccc(Cl)cc1)C2 ZINC001172100248 1051286746 /nfs/dbraw/zinc/28/67/46/1051286746.db2.gz CAFVEFFMFILZKW-MUJYYYPQSA-N 1 3 324.921 4.037 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H](c1cccc(F)c1)C1CCC1)C2 ZINC001172112454 1051298845 /nfs/dbraw/zinc/29/88/45/1051298845.db2.gz XCUDCSBLPPZMEG-HAGHYFMRSA-N 1 3 316.464 4.272 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H](c1cccc(F)c1)C1CCC1)C2 ZINC001172112454 1051298856 /nfs/dbraw/zinc/29/88/56/1051298856.db2.gz XCUDCSBLPPZMEG-HAGHYFMRSA-N 1 3 316.464 4.272 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H](CC1CC1)c1cccc(F)c1)C2 ZINC001172110832 1051299484 /nfs/dbraw/zinc/29/94/84/1051299484.db2.gz PTPHPDZBNUZCAO-IYWMVGAKSA-N 1 3 316.464 4.272 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H](CC1CC1)c1cccc(F)c1)C2 ZINC001172110832 1051299493 /nfs/dbraw/zinc/29/94/93/1051299493.db2.gz PTPHPDZBNUZCAO-IYWMVGAKSA-N 1 3 316.464 4.272 20 0 DIADHO Cc1cc(Cl)ccc1[C@@H](C)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113904 1051300401 /nfs/dbraw/zinc/30/04/01/1051300401.db2.gz KTIYZENOISBWBO-DZUCGIPZSA-N 1 3 306.881 4.314 20 0 DIADHO Cc1cc(Cl)ccc1[C@@H](C)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113904 1051300411 /nfs/dbraw/zinc/30/04/11/1051300411.db2.gz KTIYZENOISBWBO-DZUCGIPZSA-N 1 3 306.881 4.314 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](CC1CC1)c1cccc(F)c1)C2 ZINC001172110831 1051302217 /nfs/dbraw/zinc/30/22/17/1051302217.db2.gz PTPHPDZBNUZCAO-HAGHYFMRSA-N 1 3 316.464 4.272 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](CC1CC1)c1cccc(F)c1)C2 ZINC001172110831 1051302223 /nfs/dbraw/zinc/30/22/23/1051302223.db2.gz PTPHPDZBNUZCAO-HAGHYFMRSA-N 1 3 316.464 4.272 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCC[C@@H]1c1ccccc1F)C2 ZINC001172121782 1051306983 /nfs/dbraw/zinc/30/69/83/1051306983.db2.gz MLIBZZVJJLZRRQ-NHAYFPRASA-N 1 3 316.464 4.368 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCC[C@@H]1c1ccccc1F)C2 ZINC001172121782 1051306991 /nfs/dbraw/zinc/30/69/91/1051306991.db2.gz MLIBZZVJJLZRRQ-NHAYFPRASA-N 1 3 316.464 4.368 20 0 DIADHO Cc1ccc([C@H](C)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1Cl ZINC001172115868 1051307226 /nfs/dbraw/zinc/30/72/26/1051307226.db2.gz FTGBRGIFWRJVSZ-QSPRXWTASA-N 1 3 306.881 4.314 20 0 DIADHO Cc1ccc([C@H](C)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC001172115868 1051307232 /nfs/dbraw/zinc/30/72/32/1051307232.db2.gz FTGBRGIFWRJVSZ-QSPRXWTASA-N 1 3 306.881 4.314 20 0 DIADHO CN(C1CC1)C1CC[NH+]([C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172549514 1051432263 /nfs/dbraw/zinc/43/22/63/1051432263.db2.gz PPZPQOZJMDWHFA-NQIIRXRSSA-N 1 3 312.501 4.271 20 0 DIADHO C[N@H+](C1CC1)C1CCN([C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172549514 1051432272 /nfs/dbraw/zinc/43/22/72/1051432272.db2.gz PPZPQOZJMDWHFA-NQIIRXRSSA-N 1 3 312.501 4.271 20 0 DIADHO C[N@@H+](C1CC1)C1CCN([C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC001172549514 1051432275 /nfs/dbraw/zinc/43/22/75/1051432275.db2.gz PPZPQOZJMDWHFA-NQIIRXRSSA-N 1 3 312.501 4.271 20 0 DIADHO CC1CCN(CCC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172545960 1051457644 /nfs/dbraw/zinc/45/76/44/1051457644.db2.gz HXIVPSZZZKRWBC-UXHICEINSA-N 1 3 300.490 4.034 20 0 DIADHO CCC(CC)N1CCC([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172716761 1051480143 /nfs/dbraw/zinc/48/01/43/1051480143.db2.gz OLDKKCAZCOMXOM-GOSISDBHSA-N 1 3 320.908 4.050 20 0 DIADHO CCC(CC)[NH+]1CCC(N[C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172716761 1051480151 /nfs/dbraw/zinc/48/01/51/1051480151.db2.gz OLDKKCAZCOMXOM-GOSISDBHSA-N 1 3 320.908 4.050 20 0 DIADHO [NH3+]C1(c2ccccc2)CCN(C2CCC3(CCCC3)CC2)CC1 ZINC001172728808 1051488723 /nfs/dbraw/zinc/48/87/23/1051488723.db2.gz OCMQFRUIYNIHPH-UHFFFAOYSA-N 1 3 312.501 4.439 20 0 DIADHO CC(C)C[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC001169099574 1051507922 /nfs/dbraw/zinc/50/79/22/1051507922.db2.gz BTENAESUJNSTES-AKHDSKFASA-N 1 3 304.453 4.128 20 0 DIADHO CC(C)C[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001169099574 1051507935 /nfs/dbraw/zinc/50/79/35/1051507935.db2.gz BTENAESUJNSTES-AKHDSKFASA-N 1 3 304.453 4.128 20 0 DIADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(-c3ccccc3)c1)C2 ZINC001169092681 1051509498 /nfs/dbraw/zinc/50/94/98/1051509498.db2.gz CJSCUVCMLUAGSO-MZADTFQBSA-N 1 3 306.453 4.068 20 0 DIADHO Cc1cc2cc(N[C@@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)ccc2cn1 ZINC001169147576 1051535404 /nfs/dbraw/zinc/53/54/04/1051535404.db2.gz RUAUTPSKKQKZPT-UYAOXDASSA-N 1 3 311.473 4.499 20 0 DIADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+](C)Cc1cc(Cl)cc(Cl)c1)C2 ZINC001169160296 1051539967 /nfs/dbraw/zinc/53/99/67/1051539967.db2.gz CGAQEYJHOHFFJL-ZSHCYNCHSA-N 1 3 313.272 4.050 20 0 DIADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C)Cc1cc(Cl)cc(Cl)c1)C2 ZINC001169160296 1051539974 /nfs/dbraw/zinc/53/99/74/1051539974.db2.gz CGAQEYJHOHFFJL-ZSHCYNCHSA-N 1 3 313.272 4.050 20 0 DIADHO CC[NH+]1CCC(NC(C)(C)c2ccc(C(F)(F)F)cc2)CC1 ZINC001169224167 1051556237 /nfs/dbraw/zinc/55/62/37/1051556237.db2.gz ASZSUKHPAKJLPR-UHFFFAOYSA-N 1 3 314.395 4.014 20 0 DIADHO C[C@H](CSc1ccc(Cl)cc1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001172874700 1051558096 /nfs/dbraw/zinc/55/80/96/1051558096.db2.gz HYZVQOYGKZCRQI-DMRZNYOFSA-N 1 3 324.921 4.035 20 0 DIADHO C[C@H](CSc1ccc(Cl)cc1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001172874700 1051558110 /nfs/dbraw/zinc/55/81/10/1051558110.db2.gz HYZVQOYGKZCRQI-DMRZNYOFSA-N 1 3 324.921 4.035 20 0 DIADHO C(C1CC1)N1CCC2(C[NH+](C3CCC4(CCCCC4)CC3)C2)C1 ZINC001173117137 1051613657 /nfs/dbraw/zinc/61/36/57/1051613657.db2.gz YBXUSUXHQZEPFM-UHFFFAOYSA-N 1 3 316.533 4.297 20 0 DIADHO CN(C1CC1)C1CC[NH+](C2CCC3(CCCCC3)CC2)CC1 ZINC001173120948 1051615920 /nfs/dbraw/zinc/61/59/20/1051615920.db2.gz KFEVVAAZNLIJEW-UHFFFAOYSA-N 1 3 304.522 4.438 20 0 DIADHO C[N@H+](C1CC1)C1CCN(C2CCC3(CCCCC3)CC2)CC1 ZINC001173120948 1051615922 /nfs/dbraw/zinc/61/59/22/1051615922.db2.gz KFEVVAAZNLIJEW-UHFFFAOYSA-N 1 3 304.522 4.438 20 0 DIADHO C[N@@H+](C1CC1)C1CCN(C2CCC3(CCCCC3)CC2)CC1 ZINC001173120948 1051615927 /nfs/dbraw/zinc/61/59/27/1051615927.db2.gz KFEVVAAZNLIJEW-UHFFFAOYSA-N 1 3 304.522 4.438 20 0 DIADHO Cc1cc(CN2CCC[C@H](C[NH3+])[C@H](C)C2)c(Cl)cc1Cl ZINC001206023584 1051715603 /nfs/dbraw/zinc/71/56/03/1051715603.db2.gz FXSNOVFMDBXDSR-CHWSQXEVSA-N 1 3 315.288 4.109 20 0 DIADHO C[C@H](Cc1cccc(F)c1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001168464156 1051828103 /nfs/dbraw/zinc/82/81/03/1051828103.db2.gz DUQJIYXRYYPRAW-MRXNPFEDSA-N 1 3 318.480 4.001 20 0 DIADHO Cc1cscc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000494495253 1051905983 /nfs/dbraw/zinc/90/59/83/1051905983.db2.gz MVBVNIHJBOCKMS-HNAYVOBHSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1cscc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000494495253 1051905990 /nfs/dbraw/zinc/90/59/90/1051905990.db2.gz MVBVNIHJBOCKMS-HNAYVOBHSA-N 1 3 314.498 4.057 20 0 DIADHO C[C@H](c1cccc(F)c1)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768330727 1051917908 /nfs/dbraw/zinc/91/79/08/1051917908.db2.gz ZCGVRYHXKWJIOE-OAHLLOKOSA-N 1 3 300.421 4.080 20 0 DIADHO Cc1cccc(C)c1CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310340985 1052267066 /nfs/dbraw/zinc/26/70/66/1052267066.db2.gz CSVPGJWLAJYFMC-OAQYLSRUSA-N 1 3 322.496 4.305 20 0 DIADHO Cc1cccc(C)c1CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310340985 1052267077 /nfs/dbraw/zinc/26/70/77/1052267077.db2.gz CSVPGJWLAJYFMC-OAQYLSRUSA-N 1 3 322.496 4.305 20 0 DIADHO CCCCN1CCC([NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000231131942 1052280211 /nfs/dbraw/zinc/28/02/11/1052280211.db2.gz WVIKDEYCIXENCO-UHFFFAOYSA-N 1 3 314.395 4.060 20 0 DIADHO Cc1cc(CN2CCCC[C@]3(CCCC[NH2+]C3)C2)c(C)s1 ZINC001222162081 1052453898 /nfs/dbraw/zinc/45/38/98/1052453898.db2.gz XJADLAPTQGMAPX-SFHVURJKSA-N 1 3 306.519 4.111 20 0 DIADHO Cc1cc(CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)sc1C ZINC001222173023 1052456938 /nfs/dbraw/zinc/45/69/38/1052456938.db2.gz PVLODYSLJNXUPB-GOSISDBHSA-N 1 3 306.519 4.111 20 0 DIADHO Cc1c(Cl)ccc(CN2CCC[C@]23CCC[NH2+]CC3)c1C ZINC001222321600 1052481984 /nfs/dbraw/zinc/48/19/84/1052481984.db2.gz ZYLGYYQPYNEELO-SFHVURJKSA-N 1 3 306.881 4.065 20 0 DIADHO CC(C)[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000036975354 1052575179 /nfs/dbraw/zinc/57/51/79/1052575179.db2.gz HBPFLQNZXMARQX-FBVQUNGASA-N 1 3 306.881 4.252 20 0 DIADHO CC(C)[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000036975354 1052575185 /nfs/dbraw/zinc/57/51/85/1052575185.db2.gz HBPFLQNZXMARQX-FBVQUNGASA-N 1 3 306.881 4.252 20 0 DIADHO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000125906408 1052655878 /nfs/dbraw/zinc/65/58/78/1052655878.db2.gz XXWWKGDVZVAVQQ-ROUUACIJSA-N 1 3 318.505 4.245 20 0 DIADHO CC(C)[NH+]1CCC(NCc2ccccc2-c2ccccc2)CC1 ZINC000917392979 1052723456 /nfs/dbraw/zinc/72/34/56/1052723456.db2.gz YPBIEJHUWDKFAV-UHFFFAOYSA-N 1 3 308.469 4.316 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)CC1 ZINC000556223785 1052821964 /nfs/dbraw/zinc/82/19/64/1052821964.db2.gz NYOSCJWAUFVPIF-ICSRJNTNSA-N 1 3 300.490 4.033 20 0 DIADHO c1ccc([C@H](C[NH2+]C2CCN(C3CCCC3)CC2)C2CC2)cc1 ZINC000556214631 1052822009 /nfs/dbraw/zinc/82/20/09/1052822009.db2.gz WCCUZBNIFLHNRQ-NRFANRHFSA-N 1 3 312.501 4.177 20 0 DIADHO c1ccc(C(CN2CCC3(CCC[NH2+]3)CC2)c2ccccc2)cc1 ZINC001226782988 1052931117 /nfs/dbraw/zinc/93/11/17/1052931117.db2.gz ATRGLJKDNQKYGI-UHFFFAOYSA-N 1 3 320.480 4.037 20 0 DIADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)cc(Cl)c2)C1 ZINC001319199014 1053226008 /nfs/dbraw/zinc/22/60/08/1053226008.db2.gz LSXLBOYEXKSXIR-STQMWFEESA-N 1 3 315.288 4.376 20 0 DIADHO CCCC[N@H+](CCCSC)C1CC(C)(C)NC(C)(C)C1 ZINC000200723423 1053234369 /nfs/dbraw/zinc/23/43/69/1053234369.db2.gz ZOKSZTAKBCYBIC-UHFFFAOYSA-N 1 3 300.556 4.151 20 0 DIADHO CCCC[N@@H+](CCCSC)C1CC(C)(C)NC(C)(C)C1 ZINC000200723423 1053234376 /nfs/dbraw/zinc/23/43/76/1053234376.db2.gz ZOKSZTAKBCYBIC-UHFFFAOYSA-N 1 3 300.556 4.151 20 0 DIADHO Cc1cnc2ccccc2c1N1CCC(CCC[NH+](C)C)CC1 ZINC001319643228 1053258158 /nfs/dbraw/zinc/25/81/58/1053258158.db2.gz ZBXRDNVPCRZQGL-UHFFFAOYSA-N 1 3 311.473 4.101 20 0 DIADHO CC[N@@H+]1CCC[C@H](CN[C@H]2CCCc3ccc(Cl)cc32)C1 ZINC001319685171 1053263196 /nfs/dbraw/zinc/26/31/96/1053263196.db2.gz MSNZMHFDEXLAQF-KDOFPFPSSA-N 1 3 306.881 4.039 20 0 DIADHO CC[N@H+]1CCC[C@H](CN[C@H]2CCCc3ccc(Cl)cc32)C1 ZINC001319685171 1053263207 /nfs/dbraw/zinc/26/32/07/1053263207.db2.gz MSNZMHFDEXLAQF-KDOFPFPSSA-N 1 3 306.881 4.039 20 0 DIADHO CC[NH+](CC)Cc1cccc(CNCc2ccc3c(c2)CCC3)c1 ZINC001323205396 1053568118 /nfs/dbraw/zinc/56/81/18/1053568118.db2.gz ORDSDFKJXQPHFH-UHFFFAOYSA-N 1 3 322.496 4.307 20 0 DIADHO Cc1ccc(CN2CCC(C3CC[NH+](C)CC3)CC2)cc1Cl ZINC001231421543 1053746704 /nfs/dbraw/zinc/74/67/04/1053746704.db2.gz CYUBUZZOIQOXDF-UHFFFAOYSA-N 1 3 320.908 4.202 20 0 DIADHO CCc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)s1 ZINC001231502362 1053772013 /nfs/dbraw/zinc/77/20/13/1053772013.db2.gz ATPCJCZDCCHYOF-JKSUJKDBSA-N 1 3 306.519 4.149 20 0 DIADHO CCc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)s1 ZINC001231502362 1053772023 /nfs/dbraw/zinc/77/20/23/1053772023.db2.gz ATPCJCZDCCHYOF-JKSUJKDBSA-N 1 3 306.519 4.149 20 0 DIADHO CCc1ccccc1CNCc1cccc(C[N@H+](C)C(C)C)c1 ZINC001200672273 1053872970 /nfs/dbraw/zinc/87/29/70/1053872970.db2.gz OKAFNANWMUMYJV-UHFFFAOYSA-N 1 3 310.485 4.379 20 0 DIADHO CCc1ccccc1CNCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC001200672273 1053872978 /nfs/dbraw/zinc/87/29/78/1053872978.db2.gz OKAFNANWMUMYJV-UHFFFAOYSA-N 1 3 310.485 4.379 20 0 DIADHO CC(C)Sc1ccc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000158195466 1053893294 /nfs/dbraw/zinc/89/32/94/1053893294.db2.gz IFDGEIBFGBIVMD-JKSUJKDBSA-N 1 3 306.519 4.180 20 0 DIADHO CC(C)Sc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000158195466 1053893305 /nfs/dbraw/zinc/89/33/05/1053893305.db2.gz IFDGEIBFGBIVMD-JKSUJKDBSA-N 1 3 306.519 4.180 20 0 DIADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC001232145953 1053971735 /nfs/dbraw/zinc/97/17/35/1053971735.db2.gz FUDZWBFZOAZHEQ-PKOBYXMFSA-N 1 3 304.453 4.042 20 0 DIADHO CN(C)Cc1cc(F)cc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC001232145953 1053971747 /nfs/dbraw/zinc/97/17/47/1053971747.db2.gz FUDZWBFZOAZHEQ-PKOBYXMFSA-N 1 3 304.453 4.042 20 0 DIADHO CN(C)Cc1cc(F)cc(C[NH+]2CCC3(CCCC3)CC2)c1 ZINC001232144384 1053972731 /nfs/dbraw/zinc/97/27/31/1053972731.db2.gz KAJSZDHWSLWEMO-UHFFFAOYSA-N 1 3 304.453 4.044 20 0 DIADHO CN(C/C=C/c1ccccc1)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232146346 1053973604 /nfs/dbraw/zinc/97/36/04/1053973604.db2.gz NNHJLVOMRJEICK-JXMROGBWSA-N 1 3 312.432 4.033 20 0 DIADHO C[C@@H](CN[C@@H](C)c1cccc(-c2ccncc2)c1)C[NH+]1CCCC1 ZINC000165342522 1054076859 /nfs/dbraw/zinc/07/68/59/1054076859.db2.gz ZIQTVSVPAKZSDJ-ROUUACIJSA-N 1 3 323.484 4.131 20 0 DIADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC001333420902 1054153985 /nfs/dbraw/zinc/15/39/85/1054153985.db2.gz HJQMWGFWXUXQKH-CHWSQXEVSA-N 1 3 315.288 4.376 20 0 DIADHO CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@H](CC)N2CCCC2)cc1 ZINC000849060735 1054369602 /nfs/dbraw/zinc/36/96/02/1054369602.db2.gz NLFPDQKYCXFUSO-QAPCUYQASA-N 1 3 316.493 4.011 20 0 DIADHO COCCCC[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623510542 1054606976 /nfs/dbraw/zinc/60/69/76/1054606976.db2.gz AHZUXHAECBSPQV-RBUKOAKNSA-N 1 3 318.505 4.007 20 0 DIADHO COCCCC[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623510542 1054606981 /nfs/dbraw/zinc/60/69/81/1054606981.db2.gz AHZUXHAECBSPQV-RBUKOAKNSA-N 1 3 318.505 4.007 20 0 DIADHO COCCCC[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623510540 1054607058 /nfs/dbraw/zinc/60/70/58/1054607058.db2.gz AHZUXHAECBSPQV-MOPGFXCFSA-N 1 3 318.505 4.007 20 0 DIADHO COCCCC[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623510540 1054607063 /nfs/dbraw/zinc/60/70/63/1054607063.db2.gz AHZUXHAECBSPQV-MOPGFXCFSA-N 1 3 318.505 4.007 20 0 DIADHO c1sc2ccccc2c1CN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235046567 1054645667 /nfs/dbraw/zinc/64/56/67/1054645667.db2.gz RFAIJLDELGPWLG-SFHVURJKSA-N 1 3 300.471 4.009 20 0 DIADHO c1ccc(-c2cccc(CN3CCC[C@]4(CCC[NH2+]4)CC3)c2)cc1 ZINC001235047173 1054646726 /nfs/dbraw/zinc/64/67/26/1054646726.db2.gz SOLUZRKUQSKDJI-JOCHJYFZSA-N 1 3 320.480 4.462 20 0 DIADHO C[C@H](C[N@@H+]1CCCC12CCNCC2)c1cccc2ccccc21 ZINC001235140340 1054664692 /nfs/dbraw/zinc/66/46/92/1054664692.db2.gz JMLKNNSTGUDBPO-QGZVFWFLSA-N 1 3 308.469 4.161 20 0 DIADHO C[C@H](C[N@H+]1CCCC12CCNCC2)c1cccc2ccccc21 ZINC001235140340 1054664698 /nfs/dbraw/zinc/66/46/98/1054664698.db2.gz JMLKNNSTGUDBPO-QGZVFWFLSA-N 1 3 308.469 4.161 20 0 DIADHO Cc1c(C[N@@H+]2CCCC23CCNCC3)cccc1-c1ccccc1 ZINC001235145227 1054665384 /nfs/dbraw/zinc/66/53/84/1054665384.db2.gz QYYDZPXNGJQXKS-UHFFFAOYSA-N 1 3 320.480 4.380 20 0 DIADHO Cc1c(C[N@H+]2CCCC23CCNCC3)cccc1-c1ccccc1 ZINC001235145227 1054665390 /nfs/dbraw/zinc/66/53/90/1054665390.db2.gz QYYDZPXNGJQXKS-UHFFFAOYSA-N 1 3 320.480 4.380 20 0 DIADHO Cc1ccc(-c2ccc(C[N@@H+]3CCCC34CCNCC4)cc2)cc1 ZINC001235145300 1054667082 /nfs/dbraw/zinc/66/70/82/1054667082.db2.gz SUBPWDIUHLUWQE-UHFFFAOYSA-N 1 3 320.480 4.380 20 0 DIADHO Cc1ccc(-c2ccc(C[N@H+]3CCCC34CCNCC4)cc2)cc1 ZINC001235145300 1054667085 /nfs/dbraw/zinc/66/70/85/1054667085.db2.gz SUBPWDIUHLUWQE-UHFFFAOYSA-N 1 3 320.480 4.380 20 0 DIADHO c1ccc(CCCCC[N@@H+]2CCCC[C@]23CCCNC3)cc1 ZINC001235169425 1054669403 /nfs/dbraw/zinc/66/94/03/1054669403.db2.gz AQJFYJJVCVQZGO-HXUWFJFHSA-N 1 3 300.490 4.008 20 0 DIADHO c1ccc(CCCCC[N@H+]2CCCC[C@]23CCCNC3)cc1 ZINC001235169425 1054669411 /nfs/dbraw/zinc/66/94/11/1054669411.db2.gz AQJFYJJVCVQZGO-HXUWFJFHSA-N 1 3 300.490 4.008 20 0 DIADHO Clc1ccc([C@H]2C[C@H]2C[N@@H+]2CCCCC23CCNCC3)cc1 ZINC001235191799 1054681228 /nfs/dbraw/zinc/68/12/28/1054681228.db2.gz ZEBKPACNXSWCSZ-FUHWJXTLSA-N 1 3 318.892 4.052 20 0 DIADHO Clc1ccc([C@H]2C[C@H]2C[N@H+]2CCCCC23CCNCC3)cc1 ZINC001235191799 1054681234 /nfs/dbraw/zinc/68/12/34/1054681234.db2.gz ZEBKPACNXSWCSZ-FUHWJXTLSA-N 1 3 318.892 4.052 20 0 DIADHO Fc1ccc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1C1CC1 ZINC001235235769 1054687603 /nfs/dbraw/zinc/68/76/03/1054687603.db2.gz ARMQZUQSPWUHQT-FQEVSTJZSA-N 1 3 316.464 4.057 20 0 DIADHO Cc1cccc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)c1Cl ZINC001235238614 1054689481 /nfs/dbraw/zinc/68/94/81/1054689481.db2.gz QSJUQQZRFMHDAA-KRWDZBQOSA-N 1 3 306.881 4.003 20 0 DIADHO Cc1cccc(C)c1-c1cccc(CN2CCC[C@H](C[NH3+])C2)c1 ZINC001235673524 1054767852 /nfs/dbraw/zinc/76/78/52/1054767852.db2.gz BQAPVYDURQVSCT-LJQANCHMSA-N 1 3 308.469 4.141 20 0 DIADHO [NH3+]Cc1ccc(CN2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC001235674785 1054770342 /nfs/dbraw/zinc/77/03/42/1054770342.db2.gz OYVAHUCAMRNOTA-GOSISDBHSA-N 1 3 300.833 4.136 20 0 DIADHO [NH3+]C[C@H]1CCCN(Cc2ccc(-c3ccccc3Cl)cc2)C1 ZINC001235677016 1054771623 /nfs/dbraw/zinc/77/16/23/1054771623.db2.gz WBMPRIYFEONRGQ-MRXNPFEDSA-N 1 3 314.860 4.178 20 0 DIADHO CC(C)=CCCC1=CC[C@@H](C[N@@H+]2CCCC3(CNC3)C2)CC1 ZINC001235710809 1054785049 /nfs/dbraw/zinc/78/50/49/1054785049.db2.gz GCMKHFHGEXRVLF-LJQANCHMSA-N 1 3 302.506 4.145 20 0 DIADHO CC(C)=CCCC1=CC[C@@H](C[N@H+]2CCCC3(CNC3)C2)CC1 ZINC001235710809 1054785062 /nfs/dbraw/zinc/78/50/62/1054785062.db2.gz GCMKHFHGEXRVLF-LJQANCHMSA-N 1 3 302.506 4.145 20 0 DIADHO CN(Cc1ccccc1-c1ccccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001235843135 1054822641 /nfs/dbraw/zinc/82/26/41/1054822641.db2.gz WHIYVHSFIISUGG-HNNXBMFYSA-N 1 3 314.860 4.048 20 0 DIADHO CC(C)c1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)ccc1Cl ZINC001235886571 1054830887 /nfs/dbraw/zinc/83/08/87/1054830887.db2.gz BWJJPMOGXLQUOM-LJQANCHMSA-N 1 3 320.908 4.427 20 0 DIADHO C[C@@H]1CC[C@@H](N)C[N@@H+]1Cc1cccc2c3ccccc3sc21 ZINC001235906857 1054842753 /nfs/dbraw/zinc/84/27/53/1054842753.db2.gz OZVOESBSVQDIRG-UKRRQHHQSA-N 1 3 310.466 4.366 20 0 DIADHO C[C@@H]1CC[C@@H](N)C[N@H+]1Cc1cccc2c3ccccc3sc21 ZINC001235906857 1054842759 /nfs/dbraw/zinc/84/27/59/1054842759.db2.gz OZVOESBSVQDIRG-UKRRQHHQSA-N 1 3 310.466 4.366 20 0 DIADHO C[C@H]1CC[C@H](N)C[N@@H+]1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001235908541 1054844600 /nfs/dbraw/zinc/84/46/00/1054844600.db2.gz YFSBDJZRIJWFLJ-RDJZCZTQSA-N 1 3 319.452 4.147 20 0 DIADHO C[C@H]1CC[C@H](N)C[N@H+]1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001235908541 1054844606 /nfs/dbraw/zinc/84/46/06/1054844606.db2.gz YFSBDJZRIJWFLJ-RDJZCZTQSA-N 1 3 319.452 4.147 20 0 DIADHO CC(C)=CCCC1=CC[C@@H](C[N@H+](C)C[C@@H]2CCCNC2)CC1 ZINC001235951387 1054865886 /nfs/dbraw/zinc/86/58/86/1054865886.db2.gz RSRXBKZCCPDXCR-WOJBJXKFSA-N 1 3 304.522 4.391 20 0 DIADHO CC(C)=CCCC1=CC[C@@H](C[N@@H+](C)C[C@@H]2CCCNC2)CC1 ZINC001235951387 1054865901 /nfs/dbraw/zinc/86/59/01/1054865901.db2.gz RSRXBKZCCPDXCR-WOJBJXKFSA-N 1 3 304.522 4.391 20 0 DIADHO CC(C)=CCCC1=CC[C@H](C[N@H+](C)C[C@@H]2CCCNC2)CC1 ZINC001235951386 1054867973 /nfs/dbraw/zinc/86/79/73/1054867973.db2.gz RSRXBKZCCPDXCR-VQTJNVASSA-N 1 3 304.522 4.391 20 0 DIADHO CC(C)=CCCC1=CC[C@H](C[N@@H+](C)C[C@@H]2CCCNC2)CC1 ZINC001235951386 1054867984 /nfs/dbraw/zinc/86/79/84/1054867984.db2.gz RSRXBKZCCPDXCR-VQTJNVASSA-N 1 3 304.522 4.391 20 0 DIADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccccc1C(F)(F)F ZINC000624119537 1054883834 /nfs/dbraw/zinc/88/38/34/1054883834.db2.gz DSABNBHEDHIZOB-ZIAGYGMSSA-N 1 3 314.395 4.088 20 0 DIADHO CCSc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121324 1054884238 /nfs/dbraw/zinc/88/42/38/1054884238.db2.gz TZPKYLKXPQEJNN-CVEARBPZSA-N 1 3 306.519 4.181 20 0 DIADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(C(F)(F)F)cc1 ZINC000624121211 1054884713 /nfs/dbraw/zinc/88/47/13/1054884713.db2.gz QCHZUCVCEMHWOQ-ZIAGYGMSSA-N 1 3 314.395 4.088 20 0 DIADHO C[C@H]([NH3+])c1ccc(-c2cccc(CN3CCCCC3)c2F)cc1 ZINC001236016005 1054901341 /nfs/dbraw/zinc/90/13/41/1054901341.db2.gz SBNFQCNGVGWJSO-HNNXBMFYSA-N 1 3 312.432 4.498 20 0 DIADHO [NH3+]Cc1ccc(CN2CCC[C@@H]2c2cccc(Cl)c2)cc1 ZINC001236151922 1054971555 /nfs/dbraw/zinc/97/15/55/1054971555.db2.gz KEDBDKAIUXZCSP-GOSISDBHSA-N 1 3 300.833 4.136 20 0 DIADHO CCC[N@H+](Cc1cc(C(C)C)c(OC)cc1C)C1CCNCC1 ZINC001236182457 1054980532 /nfs/dbraw/zinc/98/05/32/1054980532.db2.gz PHFDWQUCYLYEEG-UHFFFAOYSA-N 1 3 318.505 4.091 20 0 DIADHO CCC[N@@H+](Cc1cc(C(C)C)c(OC)cc1C)C1CCNCC1 ZINC001236182457 1054980543 /nfs/dbraw/zinc/98/05/43/1054980543.db2.gz PHFDWQUCYLYEEG-UHFFFAOYSA-N 1 3 318.505 4.091 20 0 DIADHO CCCN(Cc1cc(C(C)C)c(OC)cc1C)C1CC[NH2+]CC1 ZINC001236182457 1054980558 /nfs/dbraw/zinc/98/05/58/1054980558.db2.gz PHFDWQUCYLYEEG-UHFFFAOYSA-N 1 3 318.505 4.091 20 0 DIADHO CCCN(Cc1ccc(-c2cccs2)cc1)C1CC[NH2+]CC1 ZINC001236182560 1054981230 /nfs/dbraw/zinc/98/12/30/1054981230.db2.gz RGSFWZQMMIKWQC-UHFFFAOYSA-N 1 3 314.498 4.379 20 0 DIADHO CCC[N@H+](Cc1ccc(-c2cccs2)cc1)C1CCNCC1 ZINC001236182560 1054981248 /nfs/dbraw/zinc/98/12/48/1054981248.db2.gz RGSFWZQMMIKWQC-UHFFFAOYSA-N 1 3 314.498 4.379 20 0 DIADHO CCC[N@@H+](Cc1ccc(-c2cccs2)cc1)C1CCNCC1 ZINC001236182560 1054981264 /nfs/dbraw/zinc/98/12/64/1054981264.db2.gz RGSFWZQMMIKWQC-UHFFFAOYSA-N 1 3 314.498 4.379 20 0 DIADHO CCC[N@H+](Cc1ccc(-c2ccc(O)cc2)cc1)C1CCNCC1 ZINC001236184365 1054983598 /nfs/dbraw/zinc/98/35/98/1054983598.db2.gz JKQKPYZEWHJZTB-UHFFFAOYSA-N 1 3 324.468 4.023 20 0 DIADHO CCC[N@@H+](Cc1ccc(-c2ccc(O)cc2)cc1)C1CCNCC1 ZINC001236184365 1054983610 /nfs/dbraw/zinc/98/36/10/1054983610.db2.gz JKQKPYZEWHJZTB-UHFFFAOYSA-N 1 3 324.468 4.023 20 0 DIADHO CCCN(Cc1ccc(-c2ccc(O)cc2)cc1)C1CC[NH2+]CC1 ZINC001236184365 1054983623 /nfs/dbraw/zinc/98/36/23/1054983623.db2.gz JKQKPYZEWHJZTB-UHFFFAOYSA-N 1 3 324.468 4.023 20 0 DIADHO c1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1Cc1cc2cnccc2[nH]1 ZINC001236189247 1054988496 /nfs/dbraw/zinc/98/84/96/1054988496.db2.gz CRDRLOLIBQFJHD-HXUWFJFHSA-N 1 3 316.408 4.381 20 0 DIADHO c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+]1Cc1cc2cnccc2[nH]1 ZINC001236189247 1054988513 /nfs/dbraw/zinc/98/85/13/1054988513.db2.gz CRDRLOLIBQFJHD-HXUWFJFHSA-N 1 3 316.408 4.381 20 0 DIADHO COc1ccc(-c2ccccc2)c(C[N@H+](C)[C@H]2CCCC[C@H]2N)c1 ZINC001236215403 1055004173 /nfs/dbraw/zinc/00/41/73/1055004173.db2.gz HVBJAPFINJRSPR-RTWAWAEBSA-N 1 3 324.468 4.064 20 0 DIADHO COc1ccc(-c2ccccc2)c(C[N@@H+](C)[C@H]2CCCC[C@H]2N)c1 ZINC001236215403 1055004185 /nfs/dbraw/zinc/00/41/85/1055004185.db2.gz HVBJAPFINJRSPR-RTWAWAEBSA-N 1 3 324.468 4.064 20 0 DIADHO C[NH2+]C1CCC(N(C)Cc2cc(Cl)cc(Cl)c2F)CC1 ZINC001236215615 1055005685 /nfs/dbraw/zinc/00/56/85/1055005685.db2.gz FGYQIKLGMVFXCJ-UHFFFAOYSA-N 1 3 319.251 4.095 20 0 DIADHO CCN(Cc1cc2c(s1)C[NH2+]CC2)Cc1ccc(C)c(C)c1 ZINC001236239449 1055027511 /nfs/dbraw/zinc/02/75/11/1055027511.db2.gz FPBXATFKRQGHFI-UHFFFAOYSA-N 1 3 314.498 4.033 20 0 DIADHO c1ccc(C[N@@H+](CCCC2CCCC2)C2CCNCC2)cc1 ZINC001236285225 1055048474 /nfs/dbraw/zinc/04/84/74/1055048474.db2.gz DCCAATIRUTVDFH-UHFFFAOYSA-N 1 3 300.490 4.211 20 0 DIADHO c1ccc(C[N@H+](CCCC2CCCC2)C2CCNCC2)cc1 ZINC001236285225 1055048489 /nfs/dbraw/zinc/04/84/89/1055048489.db2.gz DCCAATIRUTVDFH-UHFFFAOYSA-N 1 3 300.490 4.211 20 0 DIADHO c1ccc(CN(CCCC2CCCC2)C2CC[NH2+]CC2)cc1 ZINC001236285225 1055048504 /nfs/dbraw/zinc/04/85/04/1055048504.db2.gz DCCAATIRUTVDFH-UHFFFAOYSA-N 1 3 300.490 4.211 20 0 DIADHO Clc1ccc(CC[N@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1 ZINC001236370460 1055076354 /nfs/dbraw/zinc/07/63/54/1055076354.db2.gz FYMJEXYWXBMSHP-QGZVFWFLSA-N 1 3 320.908 4.127 20 0 DIADHO Clc1ccc(CC[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1 ZINC001236370460 1055076363 /nfs/dbraw/zinc/07/63/63/1055076363.db2.gz FYMJEXYWXBMSHP-QGZVFWFLSA-N 1 3 320.908 4.127 20 0 DIADHO Fc1ccc(CCC[N@H+](C[C@H]2CCCNC2)C2CCCC2)cc1 ZINC001236370383 1055077738 /nfs/dbraw/zinc/07/77/38/1055077738.db2.gz DXDXUETYFHOSBB-SFHVURJKSA-N 1 3 318.480 4.003 20 0 DIADHO Fc1ccc(CCC[N@@H+](C[C@H]2CCCNC2)C2CCCC2)cc1 ZINC001236370383 1055077745 /nfs/dbraw/zinc/07/77/45/1055077745.db2.gz DXDXUETYFHOSBB-SFHVURJKSA-N 1 3 318.480 4.003 20 0 DIADHO Cc1ccc(C)c(C[N@H+](C[C@@H]2CCCNC2)C2CCCC2)c1 ZINC001236372879 1055079068 /nfs/dbraw/zinc/07/90/68/1055079068.db2.gz FBYBJOKKCUQQAF-GOSISDBHSA-N 1 3 300.490 4.048 20 0 DIADHO Cc1ccc(C)c(C[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)c1 ZINC001236372879 1055079074 /nfs/dbraw/zinc/07/90/74/1055079074.db2.gz FBYBJOKKCUQQAF-GOSISDBHSA-N 1 3 300.490 4.048 20 0 DIADHO Cc1ccc([C@@H](C)CC[N@H+](C[C@H]2CCCNC2)C2CCCC2)o1 ZINC001236371234 1055079651 /nfs/dbraw/zinc/07/96/51/1055079651.db2.gz IICZYVFYJONOGK-WMZOPIPTSA-N 1 3 318.505 4.326 20 0 DIADHO Cc1ccc([C@@H](C)CC[N@@H+](C[C@H]2CCCNC2)C2CCCC2)o1 ZINC001236371234 1055079661 /nfs/dbraw/zinc/07/96/61/1055079661.db2.gz IICZYVFYJONOGK-WMZOPIPTSA-N 1 3 318.505 4.326 20 0 DIADHO Cc1cccc(C[N@H+](C[C@@H]2CCCNC2)C2CCCC2)c1C ZINC001236373706 1055079801 /nfs/dbraw/zinc/07/98/01/1055079801.db2.gz JODCHULXPNJHON-GOSISDBHSA-N 1 3 300.490 4.048 20 0 DIADHO Cc1cccc(C[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)c1C ZINC001236373706 1055079814 /nfs/dbraw/zinc/07/98/14/1055079814.db2.gz JODCHULXPNJHON-GOSISDBHSA-N 1 3 300.490 4.048 20 0 DIADHO Cc1ccc(C[N@H+](C[C@H]2CCCNC2)C2CCCC2)cc1C ZINC001236375452 1055083286 /nfs/dbraw/zinc/08/32/86/1055083286.db2.gz XYIHUXDDBGXDEB-IBGZPJMESA-N 1 3 300.490 4.048 20 0 DIADHO Cc1ccc(C[N@@H+](C[C@H]2CCCNC2)C2CCCC2)cc1C ZINC001236375452 1055083296 /nfs/dbraw/zinc/08/32/96/1055083296.db2.gz XYIHUXDDBGXDEB-IBGZPJMESA-N 1 3 300.490 4.048 20 0 DIADHO CC(C)CSCCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185672805 1055094437 /nfs/dbraw/zinc/09/44/37/1055094437.db2.gz AZDJCKJOBYUJRC-IRXDYDNUSA-N 1 3 312.567 4.008 20 0 DIADHO Cc1cc(C)cc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)CNC3)c1 ZINC001236428345 1055110930 /nfs/dbraw/zinc/11/09/30/1055110930.db2.gz ITLSJZFADXRDCF-NRFANRHFSA-N 1 3 306.453 4.244 20 0 DIADHO Cc1cc(C)cc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)CNC3)c1 ZINC001236428345 1055110931 /nfs/dbraw/zinc/11/09/31/1055110931.db2.gz ITLSJZFADXRDCF-NRFANRHFSA-N 1 3 306.453 4.244 20 0 DIADHO Cc1ccc2[nH]c(C[N@H+](CC(C)(C)C)C3CCNCC3)cc2c1 ZINC001236457975 1055124669 /nfs/dbraw/zinc/12/46/69/1055124669.db2.gz PAGSRRKJVMBARU-UHFFFAOYSA-N 1 3 313.489 4.076 20 0 DIADHO Cc1ccc2[nH]c(C[N@@H+](CC(C)(C)C)C3CCNCC3)cc2c1 ZINC001236457975 1055124675 /nfs/dbraw/zinc/12/46/75/1055124675.db2.gz PAGSRRKJVMBARU-UHFFFAOYSA-N 1 3 313.489 4.076 20 0 DIADHO CC(C)(C)C[N@H+](Cc1ccccc1C(F)F)C1CCNCC1 ZINC001236456628 1055124797 /nfs/dbraw/zinc/12/47/97/1055124797.db2.gz APGJZZHXJRKMHD-UHFFFAOYSA-N 1 3 310.432 4.224 20 0 DIADHO CC(C)(C)C[N@@H+](Cc1ccccc1C(F)F)C1CCNCC1 ZINC001236456628 1055124803 /nfs/dbraw/zinc/12/48/03/1055124803.db2.gz APGJZZHXJRKMHD-UHFFFAOYSA-N 1 3 310.432 4.224 20 0 DIADHO CC(C)(C)CN(Cc1ccccc1C(F)F)C1CC[NH2+]CC1 ZINC001236456628 1055124810 /nfs/dbraw/zinc/12/48/10/1055124810.db2.gz APGJZZHXJRKMHD-UHFFFAOYSA-N 1 3 310.432 4.224 20 0 DIADHO CC(C)(C)C[N@H+](Cc1ccc(C(F)F)cc1)C1CCNCC1 ZINC001236456669 1055124840 /nfs/dbraw/zinc/12/48/40/1055124840.db2.gz CZIQAJIPRHYTIY-UHFFFAOYSA-N 1 3 310.432 4.224 20 0 DIADHO CC(C)(C)C[N@@H+](Cc1ccc(C(F)F)cc1)C1CCNCC1 ZINC001236456669 1055124846 /nfs/dbraw/zinc/12/48/46/1055124846.db2.gz CZIQAJIPRHYTIY-UHFFFAOYSA-N 1 3 310.432 4.224 20 0 DIADHO CC(C)(C)CN(Cc1ccc(C(F)F)cc1)C1CC[NH2+]CC1 ZINC001236456669 1055124851 /nfs/dbraw/zinc/12/48/51/1055124851.db2.gz CZIQAJIPRHYTIY-UHFFFAOYSA-N 1 3 310.432 4.224 20 0 DIADHO Cc1ccc(Cl)cc1C[N@H+](CC(C)(C)C)C1CCNCC1 ZINC001236459562 1055126620 /nfs/dbraw/zinc/12/66/20/1055126620.db2.gz VAMCGOPZNOIURO-UHFFFAOYSA-N 1 3 308.897 4.249 20 0 DIADHO Cc1ccc(Cl)cc1C[N@@H+](CC(C)(C)C)C1CCNCC1 ZINC001236459562 1055126625 /nfs/dbraw/zinc/12/66/25/1055126625.db2.gz VAMCGOPZNOIURO-UHFFFAOYSA-N 1 3 308.897 4.249 20 0 DIADHO Cc1ccc(Cl)cc1CN(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236459562 1055126636 /nfs/dbraw/zinc/12/66/36/1055126636.db2.gz VAMCGOPZNOIURO-UHFFFAOYSA-N 1 3 308.897 4.249 20 0 DIADHO CC/C=C\CCCN(Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236481398 1055138647 /nfs/dbraw/zinc/13/86/47/1055138647.db2.gz VXDHZMMTMNGNOT-PLNGDYQASA-N 1 3 318.480 4.435 20 0 DIADHO CC(C)Nc1ccc(-c2ccccc2CN2CCC([NH3+])CC2)cc1 ZINC001236489676 1055143702 /nfs/dbraw/zinc/14/37/02/1055143702.db2.gz XFCFNMYAEFMWOM-UHFFFAOYSA-N 1 3 323.484 4.097 20 0 DIADHO CCCCCCN(Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001236517634 1055158385 /nfs/dbraw/zinc/15/83/85/1055158385.db2.gz MTBWUEXWAJARLJ-UHFFFAOYSA-N 1 3 306.469 4.268 20 0 DIADHO CCCCCC[N@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001236517634 1055158388 /nfs/dbraw/zinc/15/83/88/1055158388.db2.gz MTBWUEXWAJARLJ-UHFFFAOYSA-N 1 3 306.469 4.268 20 0 DIADHO CCCCCC[N@@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001236517634 1055158391 /nfs/dbraw/zinc/15/83/91/1055158391.db2.gz MTBWUEXWAJARLJ-UHFFFAOYSA-N 1 3 306.469 4.268 20 0 DIADHO [NH3+][C@H]1CC[C@H](N(Cc2cccs2)Cc2ccccc2F)CC1 ZINC001236534240 1055165017 /nfs/dbraw/zinc/16/50/17/1055165017.db2.gz SVBRRMQKZAQALP-WKILWMFISA-N 1 3 318.461 4.159 20 0 DIADHO [NH3+][C@H]1CC[C@H]([N@H+](Cc2cc([O-])cc(Cl)c2)C2CCCC2)CC1 ZINC001236570751 1055191331 /nfs/dbraw/zinc/19/13/31/1055191331.db2.gz ASCFXXMFHIOXHJ-JCNLHEQBSA-N 1 3 322.880 4.060 20 0 DIADHO [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cc([O-])cc(Cl)c2)C2CCCC2)CC1 ZINC001236570751 1055191336 /nfs/dbraw/zinc/19/13/36/1055191336.db2.gz ASCFXXMFHIOXHJ-JCNLHEQBSA-N 1 3 322.880 4.060 20 0 DIADHO Cc1ccc(Cl)c(CN(C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1F ZINC001236571175 1055191903 /nfs/dbraw/zinc/19/19/03/1055191903.db2.gz ANNBGDSRJIVUMG-CTYIDZIISA-N 1 3 324.871 4.412 20 0 DIADHO CCCCCCc1csc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC001236826992 1055280771 /nfs/dbraw/zinc/28/07/71/1055280771.db2.gz DNPXZOZCUDGQDQ-RYQLBKOJSA-N 1 3 306.519 4.040 20 0 DIADHO CCCN(Cc1cccc(Oc2ccccc2)c1)C[C@H]1CC[NH2+]C1 ZINC001236835652 1055285230 /nfs/dbraw/zinc/28/52/30/1055285230.db2.gz OOJQSPMSMJGTMG-IBGZPJMESA-N 1 3 324.468 4.300 20 0 DIADHO CCCN(Cc1cccc(-c2ccccc2)c1)C[C@H]1CC[NH2+]C1 ZINC001236843044 1055288331 /nfs/dbraw/zinc/28/83/31/1055288331.db2.gz KTDQZOJOKGXBCU-IBGZPJMESA-N 1 3 308.469 4.175 20 0 DIADHO C[C@]1(C[NH3+])CCCN(Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001237059229 1055353245 /nfs/dbraw/zinc/35/32/45/1055353245.db2.gz RVTGXNFEAKDCOY-HXUWFJFHSA-N 1 3 312.432 4.054 20 0 DIADHO Cc1ccc(-c2ccc(CN3CCC[C@@](C)(C[NH3+])C3)cc2)cc1 ZINC001237058643 1055353548 /nfs/dbraw/zinc/35/35/48/1055353548.db2.gz QREVDBLFNYLPIG-NRFANRHFSA-N 1 3 308.469 4.223 20 0 DIADHO C[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)c1cccc(F)c1 ZINC000765360426 1055370983 /nfs/dbraw/zinc/37/09/83/1055370983.db2.gz RRLUSXJMKQJLDL-MRXNPFEDSA-N 1 3 318.480 4.316 20 0 DIADHO CCCCN1CCC([NH2+][C@H](C)c2cc3ccccc3o2)CC1 ZINC000386080403 1055413663 /nfs/dbraw/zinc/41/36/63/1055413663.db2.gz DDEKLMAZEPWDNV-OAHLLOKOSA-N 1 3 300.446 4.348 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2c(C)cc(F)cc2C)CC1 ZINC001237336071 1055432408 /nfs/dbraw/zinc/43/24/08/1055432408.db2.gz SISMVRPSESVABT-UHFFFAOYSA-N 1 3 306.469 4.139 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2c(C)cc(F)cc2C)CC1 ZINC001237336071 1055432417 /nfs/dbraw/zinc/43/24/17/1055432417.db2.gz SISMVRPSESVABT-UHFFFAOYSA-N 1 3 306.469 4.139 20 0 DIADHO CN1CCC[C@@]2(CCC[N@H+](CCCc3ccccc3Cl)C2)C1 ZINC001278135422 1055511917 /nfs/dbraw/zinc/51/19/17/1055511917.db2.gz RVVJXJLXPOAXHK-LJQANCHMSA-N 1 3 320.908 4.080 20 0 DIADHO CN1CCC[C@@]2(CCC[N@@H+](CCCc3ccccc3Cl)C2)C1 ZINC001278135422 1055511921 /nfs/dbraw/zinc/51/19/21/1055511921.db2.gz RVVJXJLXPOAXHK-LJQANCHMSA-N 1 3 320.908 4.080 20 0 DIADHO CCc1cc(CN2CCC3(CC2)CC[NH+](C)CC3)ccc1Cl ZINC001237738311 1055518355 /nfs/dbraw/zinc/51/83/55/1055518355.db2.gz CGCSJCBUYUSBEK-UHFFFAOYSA-N 1 3 320.908 4.210 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@@H+]3CCC[C@H]4CCC[C@H]43)cc21 ZINC001237886068 1055551561 /nfs/dbraw/zinc/55/15/61/1055551561.db2.gz JZNRZDFLHOKMGW-UYAOXDASSA-N 1 3 310.485 4.452 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@H+]3CCC[C@H]4CCC[C@H]43)cc21 ZINC001237886068 1055551574 /nfs/dbraw/zinc/55/15/74/1055551574.db2.gz JZNRZDFLHOKMGW-UYAOXDASSA-N 1 3 310.485 4.452 20 0 DIADHO Cc1ccc(Cl)c(CN(C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001238555719 1055686340 /nfs/dbraw/zinc/68/63/40/1055686340.db2.gz CRPDMYCQPSAZIE-UHFFFAOYSA-N 1 3 308.897 4.201 20 0 DIADHO CC[NH+]1CCC(N(C)Cc2cccc(-c3ccccc3)c2)CC1 ZINC000506689432 1056343912 /nfs/dbraw/zinc/34/39/12/1056343912.db2.gz LBWBPLXRQJLRGM-UHFFFAOYSA-N 1 3 308.469 4.270 20 0 DIADHO C[C@@H](Cc1ccc(Cl)cc1)N(C)CCC[NH+]1CCCCC1 ZINC001615510492 1056523295 /nfs/dbraw/zinc/52/32/95/1056523295.db2.gz TVSNFIWBLYHNFD-INIZCTEOSA-N 1 3 308.897 4.079 20 0 DIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2CC(C)C)[C@H](C)C1 ZINC001615896642 1056593156 /nfs/dbraw/zinc/59/31/56/1056593156.db2.gz YZEJGEMLSDCJND-YLJYHZDGSA-N 1 3 302.506 4.047 20 0 DIADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2CC(C)C)[C@H](C)C1 ZINC001615896642 1056593166 /nfs/dbraw/zinc/59/31/66/1056593166.db2.gz YZEJGEMLSDCJND-YLJYHZDGSA-N 1 3 302.506 4.047 20 0 DIADHO CC[C@H]([NH2+]CCCN1CCCCC1)c1ccc(Cl)s1 ZINC001617089166 1056773591 /nfs/dbraw/zinc/77/35/91/1056773591.db2.gz SCMFBTFZFXEVFD-ZDUSSCGKSA-N 1 3 300.899 4.318 20 0 DIADHO CC(C)N(C)CCC[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474463233 1057094759 /nfs/dbraw/zinc/09/47/59/1057094759.db2.gz BONGSCURARTRQG-NFOMZHRRSA-N 1 3 308.432 4.064 20 0 DIADHO CCCc1ccc(-c2ccccc2CN2CCC([NH3+])CC2)cc1 ZINC001241689819 1057138217 /nfs/dbraw/zinc/13/82/17/1057138217.db2.gz NJOFCXPQKCJISG-UHFFFAOYSA-N 1 3 308.469 4.229 20 0 DIADHO c1ccc(C(C[NH2+][C@@H]2CCNC3(CCC3)C2)c2ccccc2)cc1 ZINC001246070708 1058662316 /nfs/dbraw/zinc/66/23/16/1058662316.db2.gz DTSOWAAITLRJQD-HXUWFJFHSA-N 1 3 320.480 4.083 20 0 DIADHO c1ccc(C(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3)c2ccccc2)cc1 ZINC001246073124 1058663308 /nfs/dbraw/zinc/66/33/08/1058663308.db2.gz VCJLDKOWDVVBLQ-AERCQKQUSA-N 1 3 320.480 4.081 20 0 DIADHO Fc1cccc(Cl)c1CCN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246076808 1058666781 /nfs/dbraw/zinc/66/67/81/1058666781.db2.gz PTAWVVRSAKNJHX-CQSZACIVSA-N 1 3 324.871 4.066 20 0 DIADHO c1ccc(C[C@@H]2C[C@H](N[C@@H](c3ccccc3)C3CC3)CC[NH2+]2)cc1 ZINC001246082351 1058669740 /nfs/dbraw/zinc/66/97/40/1058669740.db2.gz VSPHHQMOESULDM-VSKRKVRLSA-N 1 3 320.480 4.091 20 0 DIADHO c1ccc(C[C@@H]2C[C@H]([NH2+][C@@H](c3ccccc3)C3CC3)CCN2)cc1 ZINC001246082351 1058669756 /nfs/dbraw/zinc/66/97/56/1058669756.db2.gz VSPHHQMOESULDM-VSKRKVRLSA-N 1 3 320.480 4.091 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)N[C@@H]1C[NH2+]CC[C@H]1C ZINC001246119933 1058684517 /nfs/dbraw/zinc/68/45/17/1058684517.db2.gz XYBUIWYEHOGWSK-KGVIQGDOSA-N 1 3 322.496 4.185 20 0 DIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C1(C)CCNCC1 ZINC001246121994 1058686564 /nfs/dbraw/zinc/68/65/64/1058686564.db2.gz DKAFKZGZYXWQHS-LBPRGKRZSA-N 1 3 315.288 4.046 20 0 DIADHO CC(C)[C@@H]1C[C@H](NCCc2ccc(-c3ccccc3)cc2)CC[NH2+]1 ZINC001246162850 1058704696 /nfs/dbraw/zinc/70/46/96/1058704696.db2.gz IQMFAYUHVKUXDV-YADHBBJMSA-N 1 3 322.496 4.262 20 0 DIADHO CCCC[C@H]1C[C@H]([NH2+]C(C)(C)Cc2ccc(F)cc2)CCN1 ZINC001246173570 1058716892 /nfs/dbraw/zinc/71/68/92/1058716892.db2.gz UPBSBDBTDJRIRU-ZWKOTPCHSA-N 1 3 306.469 4.047 20 0 DIADHO CCCC[C@@H]1C[C@@H](NC2(c3ccccc3)CCCC2)CC[NH2+]1 ZINC001246173920 1058717261 /nfs/dbraw/zinc/71/72/61/1058717261.db2.gz BGHHEXRCOCGEFK-MOPGFXCFSA-N 1 3 300.490 4.356 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)CCN1 ZINC001246175317 1058719622 /nfs/dbraw/zinc/71/96/22/1058719622.db2.gz IQAHSZRNKJPFLG-GUMHCPJTSA-N 1 3 314.517 4.469 20 0 DIADHO C[C@H]1CC([NH2+]CC2(c3ccccc3)CCCCC2)C[C@H](C)N1 ZINC001246175137 1058721082 /nfs/dbraw/zinc/72/10/82/1058721082.db2.gz HAXCGJJKUXEBHF-IRXDYDNUSA-N 1 3 300.490 4.007 20 0 DIADHO c1ccc([C@@H]2C[C@H](NCc3ccccc3C3CC3)CC[NH2+]2)cc1 ZINC001246186980 1058729283 /nfs/dbraw/zinc/72/92/83/1058729283.db2.gz DXFDWVBBDQRLAM-CTNGQTDRSA-N 1 3 306.453 4.147 20 0 DIADHO CC1(C)C[C@H]([NH2+]CC2(c3ccccc3)CCCCC2)CCN1 ZINC001246184155 1058731707 /nfs/dbraw/zinc/73/17/07/1058731707.db2.gz ZVNFQYDMWZMFBQ-GOSISDBHSA-N 1 3 300.490 4.009 20 0 DIADHO CC[C@H]1C[C@H](NC2(c3ccccc3)CCCCCC2)CC[NH2+]1 ZINC001246192831 1058735022 /nfs/dbraw/zinc/73/50/22/1058735022.db2.gz COJKXYABEUPWMT-RBUKOAKNSA-N 1 3 300.490 4.356 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@H]1CCNC[C@H]1C ZINC001246213123 1058744034 /nfs/dbraw/zinc/74/40/34/1058744034.db2.gz YYIPYCJZQYRULT-HMFYCAOWSA-N 1 3 322.496 4.185 20 0 DIADHO CC(C)[C@@H]1C[C@H](NC2(c3ccccc3)CCCCC2)CC[NH2+]1 ZINC001246226813 1058751443 /nfs/dbraw/zinc/75/14/43/1058751443.db2.gz BWKBHARNWHDRQG-MOPGFXCFSA-N 1 3 300.490 4.212 20 0 DIADHO c1ccc2cc(CCN[C@@H]3CC[NH2+]C4(CCCCC4)C3)ccc2c1 ZINC001246234906 1058757097 /nfs/dbraw/zinc/75/70/97/1058757097.db2.gz OYNKTMVWAWXQOB-OAQYLSRUSA-N 1 3 322.496 4.427 20 0 DIADHO CC[C@@H]1C[C@@H](NCCc2ccc3ccccc3c2)C[C@H](CC)[NH2+]1 ZINC001246232706 1058758898 /nfs/dbraw/zinc/75/88/98/1058758898.db2.gz IEXQUEFQZGIQMZ-WKCHPHFGSA-N 1 3 310.485 4.281 20 0 DIADHO C[C@@H]1C[C@@H]([NH2+]CCCc2ccc(Cl)cc2Cl)C[C@H](C)N1 ZINC001246255510 1058776562 /nfs/dbraw/zinc/77/65/62/1058776562.db2.gz LPNXMGRLDFIRPF-JJLQDPRZSA-N 1 3 315.288 4.045 20 0 DIADHO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)c(C)c1 ZINC001246288734 1058801080 /nfs/dbraw/zinc/80/10/80/1058801080.db2.gz CDMXIAFKZPZWHR-CEWLAPEOSA-N 1 3 322.496 4.317 20 0 DIADHO CC[C@H](N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccc(F)c1 ZINC001246290992 1058807217 /nfs/dbraw/zinc/80/72/17/1058807217.db2.gz PTRMZUBPWMEJFK-HSALFYBXSA-N 1 3 312.432 4.360 20 0 DIADHO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246298218 1058809737 /nfs/dbraw/zinc/80/97/37/1058809737.db2.gz UPJKFQLTEJRMHI-QMMLZNLJSA-N 1 3 308.469 4.009 20 0 DIADHO CC(C)(Cc1ccccc1F)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246308013 1058816489 /nfs/dbraw/zinc/81/64/89/1058816489.db2.gz INTSAJPAYMUNBS-QGZVFWFLSA-N 1 3 318.480 4.191 20 0 DIADHO c1ccc(C[C@H]2C[C@H]([NH2+]C3(c4ccccc4)CCC3)CCN2)cc1 ZINC001246314471 1058825128 /nfs/dbraw/zinc/82/51/28/1058825128.db2.gz XFGGHLNIEMQWDJ-RTWAWAEBSA-N 1 3 320.480 4.019 20 0 DIADHO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246318392 1058828966 /nfs/dbraw/zinc/82/89/66/1058828966.db2.gz SYYPMDHSLMMFEH-TYPHKJRUSA-N 1 3 322.496 4.317 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)N[C@H]1C[NH2+]CCC1(C)C ZINC001246324794 1058833748 /nfs/dbraw/zinc/83/37/48/1058833748.db2.gz GKLKUECVLRALBR-ZBFHGGJFSA-N 1 3 324.534 4.048 20 0 DIADHO CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246326520 1058839632 /nfs/dbraw/zinc/83/96/32/1058839632.db2.gz PTYCUMIMYIOEMN-TUKIKUTGSA-N 1 3 315.288 4.045 20 0 DIADHO CCCCC[C@H](CCC)[NH2+]C[C@@H]1CCN[C@@H]1c1cccnc1 ZINC001246342133 1058851592 /nfs/dbraw/zinc/85/15/92/1058851592.db2.gz QZNINYGGHODENR-GBESFXJTSA-N 1 3 303.494 4.071 20 0 DIADHO CCCCCC[C@H](CCC)[NH2+]C[C@H]1CCN[C@H]1c1cccnc1 ZINC001246342729 1058854571 /nfs/dbraw/zinc/85/45/71/1058854571.db2.gz TWRTTXJFSBDZOA-AABGKKOBSA-N 1 3 317.521 4.461 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC001246346027 1058856403 /nfs/dbraw/zinc/85/64/03/1058856403.db2.gz LOLNBIIIFKBOQP-NTSGDEEZSA-N 1 3 320.480 4.080 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@@H]1CCNCC1(C)C ZINC001246370716 1058871962 /nfs/dbraw/zinc/87/19/62/1058871962.db2.gz GKAAKWDCKUYDFO-GDBMZVCRSA-N 1 3 324.534 4.048 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@H]1CCNCC1(C)C ZINC001246370719 1058874208 /nfs/dbraw/zinc/87/42/08/1058874208.db2.gz GKAAKWDCKUYDFO-ZBFHGGJFSA-N 1 3 324.534 4.048 20 0 DIADHO Clc1ccccc1C1([NH2+]C2CCCCCC2)CCNCC1 ZINC001246374105 1058876610 /nfs/dbraw/zinc/87/66/10/1058876610.db2.gz KGNOWHNMQWFQOT-UHFFFAOYSA-N 1 3 306.881 4.231 20 0 DIADHO CC1(C)CC[C@@H]([NH2+]C2(c3ccccc3Cl)CCNCC2)C1 ZINC001246374768 1058879416 /nfs/dbraw/zinc/87/94/16/1058879416.db2.gz LQVVWEOCVHZXJH-CQSZACIVSA-N 1 3 306.881 4.087 20 0 DIADHO CCCCC[C@@H](C)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246380421 1058882726 /nfs/dbraw/zinc/88/27/26/1058882726.db2.gz HATCQKKVXAAUKJ-MRXNPFEDSA-N 1 3 306.469 4.049 20 0 DIADHO CC[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3Cl)CCNCC2)C1 ZINC001246379658 1058884225 /nfs/dbraw/zinc/88/42/25/1058884225.db2.gz ACYJFMYEMFQVEY-NVXWUHKLSA-N 1 3 320.908 4.173 20 0 DIADHO CCCC[C@@H](CC)[NH2+]C1(c2ccccc2Cl)CCNCC1 ZINC001246377037 1058885060 /nfs/dbraw/zinc/88/50/60/1058885060.db2.gz YFTOSSFIURXMRE-OAHLLOKOSA-N 1 3 308.897 4.477 20 0 DIADHO CC[C@H]1CC[C@@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)C1 ZINC001246384713 1058887158 /nfs/dbraw/zinc/88/71/58/1058887158.db2.gz AGVDOBKOOFXJDS-MAUKXSAKSA-N 1 3 320.908 4.173 20 0 DIADHO Cc1ccc(CC(C)(C)C[NH2+][C@@H]2CCN[C@H](C(C)(C)C)C2)cc1 ZINC001246382989 1058888323 /nfs/dbraw/zinc/88/83/23/1058888323.db2.gz GSXKMZDZUQNVAX-MOPGFXCFSA-N 1 3 316.533 4.320 20 0 DIADHO CCCC[C@H](C)[NH2+]C1(Cc2ccc(Cl)cc2)CCNCC1 ZINC001246385764 1058889397 /nfs/dbraw/zinc/88/93/97/1058889397.db2.gz DSRZFEWFYNIZCQ-HNNXBMFYSA-N 1 3 308.897 4.173 20 0 DIADHO CC(C)=CCC[C@@H](C)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246382656 1058889847 /nfs/dbraw/zinc/88/98/47/1058889847.db2.gz ZAZXIJLAAQXMCO-QGZVFWFLSA-N 1 3 318.480 4.215 20 0 DIADHO CCCCCC[C@H](C)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246387057 1058892101 /nfs/dbraw/zinc/89/21/01/1058892101.db2.gz ASUZDFLNHPIUNC-KRWDZBQOSA-N 1 3 320.496 4.439 20 0 DIADHO CCCCC[C@@H](C)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246390270 1058894315 /nfs/dbraw/zinc/89/43/15/1058894315.db2.gz KHMGTMSSMBRMME-MRXNPFEDSA-N 1 3 306.469 4.049 20 0 DIADHO CCC1CCC([NH2+]C2(Cc3ccc(F)cc3)CCNCC2)CC1 ZINC001246394398 1058897144 /nfs/dbraw/zinc/89/71/44/1058897144.db2.gz YIMSQTXOIUOJOX-UHFFFAOYSA-N 1 3 318.480 4.049 20 0 DIADHO Fc1ccc(CC2([NH2+]C3CCCCCCC3)CCNCC2)cc1 ZINC001246392175 1058897792 /nfs/dbraw/zinc/89/77/92/1058897792.db2.gz QULGUTLBMNKXOD-UHFFFAOYSA-N 1 3 318.480 4.193 20 0 DIADHO CC(C)CCC[C@@H](C)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246390679 1058899471 /nfs/dbraw/zinc/89/94/71/1058899471.db2.gz LYUSBOHAFPTLDA-QGZVFWFLSA-N 1 3 320.496 4.295 20 0 DIADHO CC[C@H]1C[C@H]([NH2+]C2(CC3CCC3)CCC(F)(F)CC2)CCN1 ZINC001246404200 1058909278 /nfs/dbraw/zinc/90/92/78/1058909278.db2.gz GXSPKFXSIJHHQC-JKSUJKDBSA-N 1 3 314.464 4.245 20 0 DIADHO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)c1 ZINC001246415253 1058916669 /nfs/dbraw/zinc/91/66/69/1058916669.db2.gz NTSMFWWFVMRYLE-SESVDKBCSA-N 1 3 322.496 4.317 20 0 DIADHO CCCCC[C@@H](CCC)[NH2+]C1(Cc2cccnc2)CCNCC1 ZINC001246422708 1058917248 /nfs/dbraw/zinc/91/72/48/1058917248.db2.gz VTDYVBUMWNRFAZ-LJQANCHMSA-N 1 3 317.521 4.085 20 0 DIADHO CCOc1ccc([C@@H](C)N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001246414921 1058918475 /nfs/dbraw/zinc/91/84/75/1058918475.db2.gz VDSNDAKDFZEPGE-PBEJRMEISA-N 1 3 324.468 4.229 20 0 DIADHO CCC1([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)CCNCC1 ZINC001246422208 1058919940 /nfs/dbraw/zinc/91/99/40/1058919940.db2.gz AFVPVSMDNDHXSY-UHFFFAOYSA-N 1 3 320.908 4.488 20 0 DIADHO CCC1([NH2+][C@H](C)CC(C)(C)SCc2ccco2)CCNCC1 ZINC001246425618 1058921355 /nfs/dbraw/zinc/92/13/55/1058921355.db2.gz YLLPRZFNSCRIKL-OAHLLOKOSA-N 1 3 324.534 4.192 20 0 DIADHO CC(C)C[C@@H](C)C[C@H](C)NC1(c2ccccc2)CC[NH2+]CC1 ZINC001246427022 1058923385 /nfs/dbraw/zinc/92/33/85/1058923385.db2.gz AYPCACYYXOYVGD-MSOLQXFVSA-N 1 3 302.506 4.316 20 0 DIADHO C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3F)CCNCC2)CC(C)(C)C1 ZINC001246431853 1058924470 /nfs/dbraw/zinc/92/44/70/1058924470.db2.gz UIWCSYSPSTUCPR-CVEARBPZSA-N 1 3 318.480 4.209 20 0 DIADHO CCC[C@H](C)CC[C@H](C)NC1(c2ccccc2)CC[NH2+]CC1 ZINC001246433183 1058924857 /nfs/dbraw/zinc/92/48/57/1058924857.db2.gz ZBWHTKSKWJPMBL-ROUUACIJSA-N 1 3 302.506 4.460 20 0 DIADHO CCCC[C@H](CCC)[NH2+]C1(c2ccccc2F)CCNCC1 ZINC001246430775 1058925333 /nfs/dbraw/zinc/92/53/33/1058925333.db2.gz SEYFQJSVPTWGBM-INIZCTEOSA-N 1 3 306.469 4.353 20 0 DIADHO CCc1ccc(C[C@H](C)NC2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC001246432784 1058927421 /nfs/dbraw/zinc/92/74/21/1058927421.db2.gz XUYOEWNESOMTRV-SFHVURJKSA-N 1 3 322.496 4.049 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+]CC(C)(C)Cc2cccc(F)c2)CCN1 ZINC001246433643 1058928176 /nfs/dbraw/zinc/92/81/76/1058928176.db2.gz UBICVYMBUTXRSH-RTBURBONSA-N 1 3 320.496 4.295 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+]CC(C)(C)Cc2ccc(F)cc2)CCN1 ZINC001246434774 1058929763 /nfs/dbraw/zinc/92/97/63/1058929763.db2.gz YJSZZPGSLHRCKM-RTBURBONSA-N 1 3 320.496 4.295 20 0 DIADHO CCCC[C@@H]1C[C@H](NC2(Cc3ccccc3F)CCC2)CC[NH2+]1 ZINC001246435486 1058930415 /nfs/dbraw/zinc/93/04/15/1058930415.db2.gz RPJWSDQLFGTDME-QZTJIDSGSA-N 1 3 318.480 4.191 20 0 DIADHO C[C@@H](Cc1cccc(Cl)c1)[NH2+]C1(CC2CCC2)CCNCC1 ZINC001246448339 1058938191 /nfs/dbraw/zinc/93/81/91/1058938191.db2.gz SVCNVPGGOGQMNY-HNNXBMFYSA-N 1 3 320.908 4.173 20 0 DIADHO CC[C@H](C[C@@H](C)CC)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246452421 1058939997 /nfs/dbraw/zinc/93/99/97/1058939997.db2.gz FQGSXRJKZMCJQE-PKOBYXMFSA-N 1 3 302.506 4.156 20 0 DIADHO Cc1ccccc1C1(N[C@@H]2CC[NH2+][C@H](C)C2)CCC(F)(F)CC1 ZINC001246457598 1058944509 /nfs/dbraw/zinc/94/45/09/1058944509.db2.gz OBOKKCNPXRCSJQ-HZPDHXFCSA-N 1 3 322.443 4.130 20 0 DIADHO Cc1ccccc1C1([NH2+][C@@H]2CCN[C@H](C)C2)CCC(F)(F)CC1 ZINC001246457598 1058944527 /nfs/dbraw/zinc/94/45/27/1058944527.db2.gz OBOKKCNPXRCSJQ-HZPDHXFCSA-N 1 3 322.443 4.130 20 0 DIADHO C[C@]1(CNC2CCC(c3ccc(Cl)cc3)CC2)CCC[NH2+]1 ZINC001246457276 1058947200 /nfs/dbraw/zinc/94/72/00/1058947200.db2.gz RPAYXJKTCGYJIZ-VMWRSERWSA-N 1 3 306.881 4.098 20 0 DIADHO CCCC[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCN1 ZINC001246460691 1058948159 /nfs/dbraw/zinc/94/81/59/1058948159.db2.gz HKUBGIUHFVWGAF-ZGXWSNOMSA-N 1 3 300.490 4.223 20 0 DIADHO C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CCNCC2)CC(C)(C)C1 ZINC001246467804 1058953798 /nfs/dbraw/zinc/95/37/98/1058953798.db2.gz UPAQFTYFKHVWGL-IEBWSBKVSA-N 1 3 314.517 4.156 20 0 DIADHO Cc1cccc([C@H](N[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)C(C)C)c1 ZINC001246474125 1058959201 /nfs/dbraw/zinc/95/92/01/1058959201.db2.gz KZWWVAITOSZTHC-IPMKNSEASA-N 1 3 302.506 4.448 20 0 DIADHO Cc1cccc([C@@H](C)[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)c1C ZINC001246473768 1058959667 /nfs/dbraw/zinc/95/96/67/1058959667.db2.gz KEEWUGDMBFTIPS-GIVPXCGWSA-N 1 3 322.496 4.317 20 0 DIADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)c1C ZINC001246473772 1058960774 /nfs/dbraw/zinc/96/07/74/1058960774.db2.gz KEEWUGDMBFTIPS-HMXCVIKNSA-N 1 3 322.496 4.317 20 0 DIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246494504 1058971364 /nfs/dbraw/zinc/97/13/64/1058971364.db2.gz GPNDMAABNJDENW-OBJOEFQTSA-N 1 3 315.288 4.045 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H](N[C@H]2CCCCc3ccccc32)CC[NH2+]1 ZINC001246498473 1058975556 /nfs/dbraw/zinc/97/55/56/1058975556.db2.gz RTQHKFFKLCBGKL-NEWSRXKRSA-N 1 3 300.490 4.210 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)CCN1 ZINC001246518441 1058980524 /nfs/dbraw/zinc/98/05/24/1058980524.db2.gz GAULFTCJNRGLBM-RTWAWAEBSA-N 1 3 314.517 4.252 20 0 DIADHO CCCC[C@@H]1C[C@@H](N2CCC(Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246518441 1058980543 /nfs/dbraw/zinc/98/05/43/1058980543.db2.gz GAULFTCJNRGLBM-RTWAWAEBSA-N 1 3 314.517 4.252 20 0 DIADHO CC[C@H]([NH2+][C@@H](C)CC(c1ccccc1)c1ccccc1)C1CNC1 ZINC001246519548 1058980671 /nfs/dbraw/zinc/98/06/71/1058980671.db2.gz SHJHCPPRCWNNJP-JTSKRJEESA-N 1 3 322.496 4.185 20 0 DIADHO Clc1ccc([C@@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3)C2CC2)cc1 ZINC001246516966 1058982535 /nfs/dbraw/zinc/98/25/35/1058982535.db2.gz XFXXFRORPBHWFY-RDGPPVDQSA-N 1 3 318.892 4.096 20 0 DIADHO c1ccc(CCCC2CCN([C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246536202 1058986999 /nfs/dbraw/zinc/98/69/99/1058986999.db2.gz NEHDYYWYSDFKBU-AERCQKQUSA-N 1 3 312.501 4.004 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCC[C@H](CN)[C@@H]1C ZINC001246565172 1059003957 /nfs/dbraw/zinc/00/39/57/1059003957.db2.gz OUCUGYXWZIXEDT-OWCLPIDISA-N 1 3 324.534 4.129 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CCC[C@H](CN)[C@@H]1C ZINC001246565172 1059003980 /nfs/dbraw/zinc/00/39/80/1059003980.db2.gz OUCUGYXWZIXEDT-OWCLPIDISA-N 1 3 324.534 4.129 20 0 DIADHO CC(C)[N@H+]([C@H]1CCc2cc(Cl)ccc2C1)[C@H]1CCCNCC1 ZINC001246581821 1059010467 /nfs/dbraw/zinc/01/04/67/1059010467.db2.gz AXIKYMPDXLPYSG-OALUTQOASA-N 1 3 320.908 4.050 20 0 DIADHO CC(C)[N@@H+]([C@H]1CCc2cc(Cl)ccc2C1)[C@H]1CCCNCC1 ZINC001246581821 1059010491 /nfs/dbraw/zinc/01/04/91/1059010491.db2.gz AXIKYMPDXLPYSG-OALUTQOASA-N 1 3 320.908 4.050 20 0 DIADHO NC[C@H]1CCCC[N@@H+](C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001246583267 1059013923 /nfs/dbraw/zinc/01/39/23/1059013923.db2.gz QGPNOKOOGZOTDN-LSJNQWAISA-N 1 3 320.908 4.427 20 0 DIADHO NC[C@H]1CCCC[N@H+](C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001246583267 1059013946 /nfs/dbraw/zinc/01/39/46/1059013946.db2.gz QGPNOKOOGZOTDN-LSJNQWAISA-N 1 3 320.908 4.427 20 0 DIADHO CC1(C)C[C@H]([N@H+](Cc2ccccc2)C2CCCCC2)CCN1 ZINC001246593243 1059016386 /nfs/dbraw/zinc/01/63/86/1059016386.db2.gz AYOMRUZULFQYJW-LJQANCHMSA-N 1 3 300.490 4.352 20 0 DIADHO CC1(C)C[C@H]([N@@H+](Cc2ccccc2)C2CCCCC2)CCN1 ZINC001246593243 1059016404 /nfs/dbraw/zinc/01/64/04/1059016404.db2.gz AYOMRUZULFQYJW-LJQANCHMSA-N 1 3 300.490 4.352 20 0 DIADHO CC(C)[N@H+]([C@@H]1CC[C@@H](c2ccccc2)C1)[C@@H]1CCCNCC1 ZINC001246590745 1059017775 /nfs/dbraw/zinc/01/77/75/1059017775.db2.gz HVFDOLAQNVNRJG-VAMGGRTRSA-N 1 3 300.490 4.175 20 0 DIADHO CC(C)[N@@H+]([C@@H]1CC[C@@H](c2ccccc2)C1)[C@@H]1CCCNCC1 ZINC001246590745 1059017796 /nfs/dbraw/zinc/01/77/96/1059017796.db2.gz HVFDOLAQNVNRJG-VAMGGRTRSA-N 1 3 300.490 4.175 20 0 DIADHO CC(C)[N@H+]([C@@H]1CCc2c(Cl)cccc2C1)[C@@H]1CCCNCC1 ZINC001246593429 1059020420 /nfs/dbraw/zinc/02/04/20/1059020420.db2.gz MZJMOLHYMAEEOU-IAGOWNOFSA-N 1 3 320.908 4.050 20 0 DIADHO CC(C)[N@@H+]([C@@H]1CCc2c(Cl)cccc2C1)[C@@H]1CCCNCC1 ZINC001246593429 1059020446 /nfs/dbraw/zinc/02/04/46/1059020446.db2.gz MZJMOLHYMAEEOU-IAGOWNOFSA-N 1 3 320.908 4.050 20 0 DIADHO CC(C)[C@H]1C[C@@H](N2CCC(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246600295 1059020839 /nfs/dbraw/zinc/02/08/39/1059020839.db2.gz LHWHFRDIHXOXFZ-RBUKOAKNSA-N 1 3 320.908 4.296 20 0 DIADHO C[C@@H]1CC([NH+]2CCC(c3ccc(Cl)cc3)CC2)C[C@@H](C)N1 ZINC001246605882 1059021032 /nfs/dbraw/zinc/02/10/32/1059021032.db2.gz XWQCIOYIZILLRX-ZIAGYGMSSA-N 1 3 306.881 4.048 20 0 DIADHO C[C@@H]1CC(N2CCC(c3ccc(Cl)cc3)CC2)C[C@@H](C)[NH2+]1 ZINC001246605882 1059021056 /nfs/dbraw/zinc/02/10/56/1059021056.db2.gz XWQCIOYIZILLRX-ZIAGYGMSSA-N 1 3 306.881 4.048 20 0 DIADHO C[C@H](Cc1cccc(F)c1)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246612327 1059025142 /nfs/dbraw/zinc/02/51/42/1059025142.db2.gz VPFGORKOLUPMEO-XLIONFOSSA-N 1 3 318.480 4.003 20 0 DIADHO CCC[C@H](CCc1ccccc1)[N@@H+]1CCC[C@]12CCCNC2 ZINC001246609738 1059026254 /nfs/dbraw/zinc/02/62/54/1059026254.db2.gz MZOYVXZIVFOBGE-UXHICEINSA-N 1 3 300.490 4.006 20 0 DIADHO CCC[C@H](CCc1ccccc1)[N@H+]1CCC[C@]12CCCNC2 ZINC001246609738 1059026277 /nfs/dbraw/zinc/02/62/77/1059026277.db2.gz MZOYVXZIVFOBGE-UXHICEINSA-N 1 3 300.490 4.006 20 0 DIADHO c1ccc([C@H]2CCC[C@H](N3CCC4(CCCC[NH2+]4)CC3)C2)cc1 ZINC001246611349 1059027798 /nfs/dbraw/zinc/02/77/98/1059027798.db2.gz PDFBNDUGVLNUKI-PMACEKPBSA-N 1 3 312.501 4.321 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)N1CCC[C@]12CCC[NH2+]C2 ZINC001246613424 1059030434 /nfs/dbraw/zinc/03/04/34/1059030434.db2.gz ZHYPYUACDNTXGB-PMACEKPBSA-N 1 3 300.490 4.006 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@]12CCCNC2 ZINC001246613424 1059030416 /nfs/dbraw/zinc/03/04/16/1059030416.db2.gz ZHYPYUACDNTXGB-PMACEKPBSA-N 1 3 300.490 4.006 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@]12CCCNC2 ZINC001246613424 1059030430 /nfs/dbraw/zinc/03/04/30/1059030430.db2.gz ZHYPYUACDNTXGB-PMACEKPBSA-N 1 3 300.490 4.006 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H]([NH+]2CCC3(C=Cc4ccccc43)CC2)CCN1 ZINC001246647296 1059046857 /nfs/dbraw/zinc/04/68/57/1059046857.db2.gz KGMHUYURLAADKG-AZUAARDMSA-N 1 3 324.512 4.214 20 0 DIADHO CCC[C@H](CCc1ccccc1)[N@@H+]1CCCC12CCNCC2 ZINC001246656072 1059052314 /nfs/dbraw/zinc/05/23/14/1059052314.db2.gz SLRJKINLLULEPY-LJQANCHMSA-N 1 3 300.490 4.006 20 0 DIADHO CCC[C@H](CCc1ccccc1)[N@H+]1CCCC12CCNCC2 ZINC001246656072 1059052337 /nfs/dbraw/zinc/05/23/37/1059052337.db2.gz SLRJKINLLULEPY-LJQANCHMSA-N 1 3 300.490 4.006 20 0 DIADHO CCCC(CCC)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246675850 1059059685 /nfs/dbraw/zinc/05/96/85/1059059685.db2.gz YJWKRLPFTVUKQG-TZIWHRDSSA-N 1 3 314.517 4.208 20 0 DIADHO CCCC(CCC)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246675850 1059059707 /nfs/dbraw/zinc/05/97/07/1059059707.db2.gz YJWKRLPFTVUKQG-TZIWHRDSSA-N 1 3 314.517 4.208 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2c2ccccc2C)CCN1 ZINC001246681396 1059062609 /nfs/dbraw/zinc/06/26/09/1059062609.db2.gz OBQOWYHEGKSHHT-WSTZPKSXSA-N 1 3 300.490 4.443 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2ccccc2C)CCN1 ZINC001246681396 1059062632 /nfs/dbraw/zinc/06/26/32/1059062632.db2.gz OBQOWYHEGKSHHT-WSTZPKSXSA-N 1 3 300.490 4.443 20 0 DIADHO Cc1ccccc1[C@@H]1CCC[N@@H+]1[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246680748 1059062750 /nfs/dbraw/zinc/06/27/50/1059062750.db2.gz KZIDPIJCQCPCJL-NEWSRXKRSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccccc1[C@@H]1CCC[N@H+]1[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246680748 1059062772 /nfs/dbraw/zinc/06/27/72/1059062772.db2.gz KZIDPIJCQCPCJL-NEWSRXKRSA-N 1 3 300.490 4.299 20 0 DIADHO C[C@H]1C[C@H](N2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)C[C@@H](C)C1 ZINC001246678486 1059063395 /nfs/dbraw/zinc/06/33/95/1059063395.db2.gz XLZJLERSDNKNKI-KZEVZHLLSA-N 1 3 312.501 4.033 20 0 DIADHO CCCC[C@H]1C[C@H](N2CCC(c3ccccc3)CC2)CC[NH2+]1 ZINC001246694099 1059070246 /nfs/dbraw/zinc/07/02/46/1059070246.db2.gz VABLTWJSOBOGAM-VQTJNVASSA-N 1 3 300.490 4.177 20 0 DIADHO CCCC[C@H]1C[C@H]([NH+]2CCC(c3ccccc3)CC2)CCN1 ZINC001246694099 1059070268 /nfs/dbraw/zinc/07/02/68/1059070268.db2.gz VABLTWJSOBOGAM-VQTJNVASSA-N 1 3 300.490 4.177 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2c2ccc(C)cc2)CCN1 ZINC001246782786 1059079727 /nfs/dbraw/zinc/07/97/27/1059079727.db2.gz UTHZWYSGRCNMLY-VAMGGRTRSA-N 1 3 300.490 4.443 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2ccc(C)cc2)CCN1 ZINC001246782786 1059079750 /nfs/dbraw/zinc/07/97/50/1059079750.db2.gz UTHZWYSGRCNMLY-VAMGGRTRSA-N 1 3 300.490 4.443 20 0 DIADHO CCCC[C@@H]1C[C@H](N2CCC[C@@H]2c2ccc(C)cc2)CC[NH2+]1 ZINC001246782786 1059079775 /nfs/dbraw/zinc/07/97/75/1059079775.db2.gz UTHZWYSGRCNMLY-VAMGGRTRSA-N 1 3 300.490 4.443 20 0 DIADHO CC[C@@H]1C[C@@H](N2CCC(c3cccs3)CC2)C[C@H](CC)[NH2+]1 ZINC001246786835 1059086007 /nfs/dbraw/zinc/08/60/07/1059086007.db2.gz AIONEGXDKMNUBD-BJWYYQGGSA-N 1 3 306.519 4.237 20 0 DIADHO C[C@H]1C[C@H]([NH+]2CCC(c3ccc4ccccc4c3)CC2)CCN1 ZINC001246794480 1059095650 /nfs/dbraw/zinc/09/56/50/1059095650.db2.gz ZYKVMETVZZDJJD-HRAATJIYSA-N 1 3 308.469 4.160 20 0 DIADHO C[C@H]1C[C@H](N2CCC(c3ccc4ccccc4c3)CC2)CC[NH2+]1 ZINC001246794480 1059095674 /nfs/dbraw/zinc/09/56/74/1059095674.db2.gz ZYKVMETVZZDJJD-HRAATJIYSA-N 1 3 308.469 4.160 20 0 DIADHO CC[C@@H]1C[C@H](N2CCC[C@H]2c2ccccc2OC)C[C@H](CC)[NH2+]1 ZINC001246792523 1059096603 /nfs/dbraw/zinc/09/66/03/1059096603.db2.gz QLXBIEUVPPTQFA-FAJBIJEISA-N 1 3 316.489 4.141 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[N@H+](C)C[C@@H]1CCCNC1 ZINC001246843743 1059122611 /nfs/dbraw/zinc/12/26/11/1059122611.db2.gz WALIRTNYZXJHEG-HZPDHXFCSA-N 1 3 324.534 4.001 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[N@@H+](C)C[C@@H]1CCCNC1 ZINC001246843743 1059122621 /nfs/dbraw/zinc/12/26/21/1059122621.db2.gz WALIRTNYZXJHEG-HZPDHXFCSA-N 1 3 324.534 4.001 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H](N2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246852136 1059133948 /nfs/dbraw/zinc/13/39/48/1059133948.db2.gz MVXCMQBINYJGBB-NJAFHUGGSA-N 1 3 320.908 4.296 20 0 DIADHO CC(C)[C@@H]1C[C@@H](N2CCC(Sc3ccccc3)CC2)CC[NH2+]1 ZINC001246872772 1059140872 /nfs/dbraw/zinc/14/08/72/1059140872.db2.gz CKYNNWRUGLZTCG-LPHOPBHVSA-N 1 3 318.530 4.020 20 0 DIADHO CCN(Cc1cccs1)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246880438 1059145424 /nfs/dbraw/zinc/14/54/24/1059145424.db2.gz DZAPMYPAZLBBSK-AEFFLSMTSA-N 1 3 300.471 4.063 20 0 DIADHO CSc1ccccc1[C@@H]1CCC[N@@H+]1[C@H]1CCNC(C)(C)C1 ZINC001246886158 1059148271 /nfs/dbraw/zinc/14/82/71/1059148271.db2.gz HGOZIYNNDLNBMC-HOCLYGCPSA-N 1 3 304.503 4.076 20 0 DIADHO CSc1ccccc1[C@@H]1CCC[N@H+]1[C@H]1CCNC(C)(C)C1 ZINC001246886158 1059148277 /nfs/dbraw/zinc/14/82/77/1059148277.db2.gz HGOZIYNNDLNBMC-HOCLYGCPSA-N 1 3 304.503 4.076 20 0 DIADHO CSc1ccccc1[C@@H]1CCCN1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246886158 1059148288 /nfs/dbraw/zinc/14/82/88/1059148288.db2.gz HGOZIYNNDLNBMC-HOCLYGCPSA-N 1 3 304.503 4.076 20 0 DIADHO CC[C@@H]1C[C@@H](N2CCC[C@@H]2c2ccccc2SC)CC[NH2+]1 ZINC001246886608 1059149549 /nfs/dbraw/zinc/14/95/49/1059149549.db2.gz HOFMHWXSFHSOSQ-HLLBOEOZSA-N 1 3 304.503 4.076 20 0 DIADHO CSc1ccccc1[C@H]1CCC[N@@H+]1C1C[C@@H](C)N[C@H](C)C1 ZINC001246889631 1059154798 /nfs/dbraw/zinc/15/47/98/1059154798.db2.gz RJEGRFJFJZFKKR-CKEIUWERSA-N 1 3 304.503 4.074 20 0 DIADHO CSc1ccccc1[C@H]1CCC[N@H+]1C1C[C@@H](C)N[C@H](C)C1 ZINC001246889631 1059154813 /nfs/dbraw/zinc/15/48/13/1059154813.db2.gz RJEGRFJFJZFKKR-CKEIUWERSA-N 1 3 304.503 4.074 20 0 DIADHO CSc1ccccc1[C@H]1CCCN1C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246889631 1059154837 /nfs/dbraw/zinc/15/48/37/1059154837.db2.gz RJEGRFJFJZFKKR-CKEIUWERSA-N 1 3 304.503 4.074 20 0 DIADHO CC[C@@H]1C[C@H]([N@H+](C)C(C)(C)Cc2ccccc2)C[C@H](CC)N1 ZINC001246892931 1059155939 /nfs/dbraw/zinc/15/59/39/1059155939.db2.gz PKWIMSWOHAIJGO-BWTSREIZSA-N 1 3 302.506 4.249 20 0 DIADHO CC[C@@H]1C[C@H]([N@@H+](C)C(C)(C)Cc2ccccc2)C[C@H](CC)N1 ZINC001246892931 1059155945 /nfs/dbraw/zinc/15/59/45/1059155945.db2.gz PKWIMSWOHAIJGO-BWTSREIZSA-N 1 3 302.506 4.249 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246894426 1059160877 /nfs/dbraw/zinc/16/08/77/1059160877.db2.gz TYEUWUFXSCETNB-RTBURBONSA-N 1 3 302.506 4.250 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246894426 1059160886 /nfs/dbraw/zinc/16/08/86/1059160886.db2.gz TYEUWUFXSCETNB-RTBURBONSA-N 1 3 302.506 4.250 20 0 DIADHO CC[NH+](CC)CC[C@H](C)N1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001246902465 1059162927 /nfs/dbraw/zinc/16/29/27/1059162927.db2.gz RPMKOGNBHBIZKT-OXJNMPFZSA-N 1 3 313.489 4.425 20 0 DIADHO CCN(CC)CC[C@H](C)[N@@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001246902465 1059162931 /nfs/dbraw/zinc/16/29/31/1059162931.db2.gz RPMKOGNBHBIZKT-OXJNMPFZSA-N 1 3 313.489 4.425 20 0 DIADHO CCN(CC)CC[C@H](C)[N@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001246902465 1059162937 /nfs/dbraw/zinc/16/29/37/1059162937.db2.gz RPMKOGNBHBIZKT-OXJNMPFZSA-N 1 3 313.489 4.425 20 0 DIADHO CCN(Cc1ccc(C)c(C)c1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246905720 1059166623 /nfs/dbraw/zinc/16/66/23/1059166623.db2.gz AZAZIVRUAIHFCM-OALUTQOASA-N 1 3 302.506 4.292 20 0 DIADHO CC[C@@H]1C[C@H]([N@@H+]2CCCC[C@H]2c2ccc(C)c(C)c2)CCN1 ZINC001246909876 1059172771 /nfs/dbraw/zinc/17/27/71/1059172771.db2.gz REXACRKTVUAUOL-AQNXPRMDSA-N 1 3 300.490 4.361 20 0 DIADHO CC[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2c2ccc(C)c(C)c2)CCN1 ZINC001246909876 1059172778 /nfs/dbraw/zinc/17/27/78/1059172778.db2.gz REXACRKTVUAUOL-AQNXPRMDSA-N 1 3 300.490 4.361 20 0 DIADHO FC(F)(F)c1ccc([C@H]2CCCN2[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246920256 1059176260 /nfs/dbraw/zinc/17/62/60/1059176260.db2.gz DJLMVAKVXNITEG-LTIDMASMSA-N 1 3 324.390 4.125 20 0 DIADHO Cc1ccc(C[C@@H](C)[N@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1 ZINC001246934034 1059184523 /nfs/dbraw/zinc/18/45/23/1059184523.db2.gz NBPZSKRREPPGAM-UYAOXDASSA-N 1 3 314.517 4.170 20 0 DIADHO Cc1ccc(C[C@@H](C)[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1 ZINC001246934034 1059184531 /nfs/dbraw/zinc/18/45/31/1059184531.db2.gz NBPZSKRREPPGAM-UYAOXDASSA-N 1 3 314.517 4.170 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H](N)[C@@H]1C ZINC001246937967 1059185211 /nfs/dbraw/zinc/18/52/11/1059185211.db2.gz KSCXNKAGXSDCGD-BFQNTYOBSA-N 1 3 315.288 4.126 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@H](N)[C@@H]1C ZINC001246937967 1059185216 /nfs/dbraw/zinc/18/52/16/1059185216.db2.gz KSCXNKAGXSDCGD-BFQNTYOBSA-N 1 3 315.288 4.126 20 0 DIADHO CCCC[C@H](C)[N@H+](Cc1cc(C)cc(F)c1)C1CCNCC1 ZINC001246952842 1059201662 /nfs/dbraw/zinc/20/16/62/1059201662.db2.gz XWTQTFOSIPTLQY-INIZCTEOSA-N 1 3 306.469 4.267 20 0 DIADHO CCCC[C@H](C)[N@@H+](Cc1cc(C)cc(F)c1)C1CCNCC1 ZINC001246952842 1059201677 /nfs/dbraw/zinc/20/16/77/1059201677.db2.gz XWTQTFOSIPTLQY-INIZCTEOSA-N 1 3 306.469 4.267 20 0 DIADHO CCCC[C@H](C)N(Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001246952842 1059201681 /nfs/dbraw/zinc/20/16/81/1059201681.db2.gz XWTQTFOSIPTLQY-INIZCTEOSA-N 1 3 306.469 4.267 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H](N(Cc2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246962579 1059206935 /nfs/dbraw/zinc/20/69/35/1059206935.db2.gz KEHSIPCXVFBFNP-RBUKOAKNSA-N 1 3 300.490 4.208 20 0 DIADHO CCCC[C@H](C)[N@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001246963794 1059208145 /nfs/dbraw/zinc/20/81/45/1059208145.db2.gz ZAKRSCIAYZXKHS-INIZCTEOSA-N 1 3 306.469 4.267 20 0 DIADHO CCCC[C@H](C)[N@@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001246963794 1059208161 /nfs/dbraw/zinc/20/81/61/1059208161.db2.gz ZAKRSCIAYZXKHS-INIZCTEOSA-N 1 3 306.469 4.267 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001246971512 1059218114 /nfs/dbraw/zinc/21/81/14/1059218114.db2.gz HCOWBNBHOINWIP-CTNGQTDRSA-N 1 3 314.517 4.252 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001246971512 1059218123 /nfs/dbraw/zinc/21/81/23/1059218123.db2.gz HCOWBNBHOINWIP-CTNGQTDRSA-N 1 3 314.517 4.252 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[N@H+](CCC)[C@H]1CCN[C@@H](C)C1 ZINC001246975272 1059219860 /nfs/dbraw/zinc/21/98/60/1059219860.db2.gz BNSDPRXJMGOJIA-IHPCNDPISA-N 1 3 302.506 4.250 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)[C@H]1CCN[C@@H](C)C1 ZINC001246975272 1059219869 /nfs/dbraw/zinc/21/98/69/1059219869.db2.gz BNSDPRXJMGOJIA-IHPCNDPISA-N 1 3 302.506 4.250 20 0 DIADHO c1ccc(CC[C@H]2CCC[N@@H+]([C@H]3CCNC4(CCC4)C3)C2)cc1 ZINC001246980206 1059221562 /nfs/dbraw/zinc/22/15/62/1059221562.db2.gz QFVVEIHJJBNYOW-UXHICEINSA-N 1 3 312.501 4.006 20 0 DIADHO c1ccc(CC[C@H]2CCC[N@H+]([C@H]3CCNC4(CCC4)C3)C2)cc1 ZINC001246980206 1059221580 /nfs/dbraw/zinc/22/15/80/1059221580.db2.gz QFVVEIHJJBNYOW-UXHICEINSA-N 1 3 312.501 4.006 20 0 DIADHO C[C@@H](Cc1c(F)cccc1Cl)[N@H+](C1CCC1)C1CCNCC1 ZINC001246977795 1059225161 /nfs/dbraw/zinc/22/51/61/1059225161.db2.gz RCRCTUCIDJTVRB-ZDUSSCGKSA-N 1 3 324.871 4.017 20 0 DIADHO C[C@@H](Cc1c(F)cccc1Cl)[N@@H+](C1CCC1)C1CCNCC1 ZINC001246977795 1059225178 /nfs/dbraw/zinc/22/51/78/1059225178.db2.gz RCRCTUCIDJTVRB-ZDUSSCGKSA-N 1 3 324.871 4.017 20 0 DIADHO CC[C@@H](Cc1ccccc1)[N@H+]([C@@H]1CCNC1)C1CCCCC1 ZINC001246977607 1059225470 /nfs/dbraw/zinc/22/54/70/1059225470.db2.gz ICWQZLUQGATBKY-AZUAARDMSA-N 1 3 300.490 4.004 20 0 DIADHO CC[C@@H](Cc1ccccc1)[N@@H+]([C@@H]1CCNC1)C1CCCCC1 ZINC001246977607 1059225484 /nfs/dbraw/zinc/22/54/84/1059225484.db2.gz ICWQZLUQGATBKY-AZUAARDMSA-N 1 3 300.490 4.004 20 0 DIADHO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCCN2CCCCC2)o1 ZINC001559568200 1059396009 /nfs/dbraw/zinc/39/60/09/1059396009.db2.gz RXRCPWMVKVFXCN-HKUYNNGSSA-N 1 3 318.505 4.491 20 0 DIADHO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCCN2CCCCC2)o1 ZINC001559568200 1059396027 /nfs/dbraw/zinc/39/60/27/1059396027.db2.gz RXRCPWMVKVFXCN-HKUYNNGSSA-N 1 3 318.505 4.491 20 0 DIADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001559578804 1059412627 /nfs/dbraw/zinc/41/26/27/1059412627.db2.gz SVPCSGJXTYKHIC-SVFBPWRDSA-N 1 3 314.517 4.234 20 0 DIADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001559578804 1059412630 /nfs/dbraw/zinc/41/26/30/1059412630.db2.gz SVPCSGJXTYKHIC-SVFBPWRDSA-N 1 3 314.517 4.234 20 0 DIADHO CCCc1ccc([C@H]([NH2+]CC[C@@H]2CCCN2C)C(C)C)cc1 ZINC001559670013 1059496797 /nfs/dbraw/zinc/49/67/97/1059496797.db2.gz XTBBZRCKNPBGCI-VQTJNVASSA-N 1 3 302.506 4.410 20 0 DIADHO CCCc1ccc([C@H](NCC[C@@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC001559670013 1059496808 /nfs/dbraw/zinc/49/68/08/1059496808.db2.gz XTBBZRCKNPBGCI-VQTJNVASSA-N 1 3 302.506 4.410 20 0 DIADHO CCCc1ccc([C@H](NCC[C@@H]2CCC[N@H+]2C)C(C)C)cc1 ZINC001559670013 1059496818 /nfs/dbraw/zinc/49/68/18/1059496818.db2.gz XTBBZRCKNPBGCI-VQTJNVASSA-N 1 3 302.506 4.410 20 0 DIADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(-c2ccccc2)cc1 ZINC001559694508 1059521993 /nfs/dbraw/zinc/52/19/93/1059521993.db2.gz XDYDTKMUBGLWKG-LAUBAEHRSA-N 1 3 308.469 4.489 20 0 DIADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cccc(Cl)c1F ZINC001560270626 1060045357 /nfs/dbraw/zinc/04/53/57/1060045357.db2.gz BYOQMMZCGBFAIZ-AWEZNQCLSA-N 1 3 312.860 4.223 20 0 DIADHO C[C@H]1CCCC[N@H+]1CCCCNCc1cccc(Cl)c1F ZINC001560270626 1060045372 /nfs/dbraw/zinc/04/53/72/1060045372.db2.gz BYOQMMZCGBFAIZ-AWEZNQCLSA-N 1 3 312.860 4.223 20 0 DIADHO CCc1cccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC001560418392 1060202536 /nfs/dbraw/zinc/20/25/36/1060202536.db2.gz LLWWTACPDANILN-PGRDOPGGSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1cccc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001560418392 1060202559 /nfs/dbraw/zinc/20/25/59/1060202559.db2.gz LLWWTACPDANILN-PGRDOPGGSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1cccc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001560418392 1060202576 /nfs/dbraw/zinc/20/25/76/1060202576.db2.gz LLWWTACPDANILN-PGRDOPGGSA-N 1 3 322.496 4.249 20 0 DIADHO CC(C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001560703744 1060557799 /nfs/dbraw/zinc/55/77/99/1060557799.db2.gz LNRJGZODAFXROH-FYZZASKESA-N 1 3 314.517 4.311 20 0 DIADHO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CC[C@H](C)N2CCCCC2)cc1 ZINC001560751627 1060617868 /nfs/dbraw/zinc/61/78/68/1060617868.db2.gz USQQUGYIDDSGPQ-SESVDKBCSA-N 1 3 314.517 4.485 20 0 DIADHO C[C@H](CC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)N1CCCCC1 ZINC001560751428 1060618751 /nfs/dbraw/zinc/61/87/51/1060618751.db2.gz SGXXBAGAQAIIBW-HLAWJBBLSA-N 1 3 314.517 4.252 20 0 DIADHO C[C@H](CC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)N1CCCCC1 ZINC001560751432 1060618945 /nfs/dbraw/zinc/61/89/45/1060618945.db2.gz SGXXBAGAQAIIBW-NRSPTQNISA-N 1 3 314.517 4.252 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001560791546 1060651346 /nfs/dbraw/zinc/65/13/46/1060651346.db2.gz LUZJQUISLZIYPM-OXJNMPFZSA-N 1 3 318.480 4.143 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001560791546 1060651351 /nfs/dbraw/zinc/65/13/51/1060651351.db2.gz LUZJQUISLZIYPM-OXJNMPFZSA-N 1 3 318.480 4.143 20 0 DIADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC001560950858 1060816443 /nfs/dbraw/zinc/81/64/43/1060816443.db2.gz PTKGSQUZQNKKMA-RTWAWAEBSA-N 1 3 314.517 4.028 20 0 DIADHO CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC001560950857 1060816803 /nfs/dbraw/zinc/81/68/03/1060816803.db2.gz PTKGSQUZQNKKMA-NHCUHLMSSA-N 1 3 314.517 4.028 20 0 DIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCCC4(CC4)C3)CC2)C1 ZINC001561024086 1060880117 /nfs/dbraw/zinc/88/01/17/1060880117.db2.gz IWPDWSDBMHBPEF-QRQLOZEOSA-N 1 3 304.522 4.342 20 0 DIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CCCC4(CC4)C3)CC2)C1 ZINC001561024085 1060880625 /nfs/dbraw/zinc/88/06/25/1060880625.db2.gz IWPDWSDBMHBPEF-NZSAHSFTSA-N 1 3 304.522 4.342 20 0 DIADHO CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)CCN(CC)CC ZINC001561055291 1060903750 /nfs/dbraw/zinc/90/37/50/1060903750.db2.gz LNCAYQSMXXLYKD-MAUKXSAKSA-N 1 3 310.913 4.371 20 0 DIADHO CN1CCCC[C@@H]1CC[N@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC001473191007 1060945121 /nfs/dbraw/zinc/94/51/21/1060945121.db2.gz CYWKTMRBVXNBPW-MJGOQNOKSA-N 1 3 304.453 4.009 20 0 DIADHO CN1CCCC[C@@H]1CC[N@@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC001473191007 1060945139 /nfs/dbraw/zinc/94/51/39/1060945139.db2.gz CYWKTMRBVXNBPW-MJGOQNOKSA-N 1 3 304.453 4.009 20 0 DIADHO CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC001473219444 1060997407 /nfs/dbraw/zinc/99/74/07/1060997407.db2.gz HHFFIBDZTBYHTG-VDGAXYAQSA-N 1 3 300.490 4.287 20 0 DIADHO CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC001473219444 1060997420 /nfs/dbraw/zinc/99/74/20/1060997420.db2.gz HHFFIBDZTBYHTG-VDGAXYAQSA-N 1 3 300.490 4.287 20 0 DIADHO CC(C)(C[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1)CN1CCCC1 ZINC001462195823 1061017578 /nfs/dbraw/zinc/01/75/78/1061017578.db2.gz GDIDQIQPURJTFZ-PZJWPPBQSA-N 1 3 314.517 4.208 20 0 DIADHO Cc1c(C)c(C)c(C[N@H+]2CCC[C@H](N(C)C)CC2)c(C)c1C ZINC001473379999 1061121610 /nfs/dbraw/zinc/12/16/10/1061121610.db2.gz OEBBURSNSWQIMU-IBGZPJMESA-N 1 3 302.506 4.145 20 0 DIADHO Cc1c(C)c(C)c(C[N@@H+]2CCC[C@H](N(C)C)CC2)c(C)c1C ZINC001473379999 1061121618 /nfs/dbraw/zinc/12/16/18/1061121618.db2.gz OEBBURSNSWQIMU-IBGZPJMESA-N 1 3 302.506 4.145 20 0 DIADHO Cc1c(C)c(C)c(CN2CCC[C@H]([NH+](C)C)CC2)c(C)c1C ZINC001473379999 1061121625 /nfs/dbraw/zinc/12/16/25/1061121625.db2.gz OEBBURSNSWQIMU-IBGZPJMESA-N 1 3 302.506 4.145 20 0 DIADHO CN1CCCC[C@H](C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001462437827 1061172398 /nfs/dbraw/zinc/17/23/98/1061172398.db2.gz NMFAYMAKYXCDQD-AYBZRNKSSA-N 1 3 320.908 4.298 20 0 DIADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC(C)(C)C(C)(F)F)CC1 ZINC001462510423 1061219180 /nfs/dbraw/zinc/21/91/80/1061219180.db2.gz HCJDSZKWAQJRKA-GDBMZVCRSA-N 1 3 316.480 4.301 20 0 DIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CCSC(C)(C)C3)CC2)C1 ZINC001462618790 1061303402 /nfs/dbraw/zinc/30/34/02/1061303402.db2.gz LWRDPNZWTXRLOP-KBAYOESNSA-N 1 3 324.578 4.293 20 0 DIADHO C[C@@]1(c2ccccc2)CC[C@H](N2CCC([NH2+]C3CCC3)CC2)C1 ZINC001462644290 1061314765 /nfs/dbraw/zinc/31/47/65/1061314765.db2.gz IXMHNHGHQZJAEW-LEWJYISDSA-N 1 3 312.501 4.103 20 0 DIADHO CCC1(N2CCC2)CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC001473805726 1061416394 /nfs/dbraw/zinc/41/63/94/1061416394.db2.gz BBJILHVKLKIVRZ-LJQANCHMSA-N 1 3 312.501 4.057 20 0 DIADHO CCC1([NH+]2CCC2)CCN(CC[C@H]2CCc3ccccc32)CC1 ZINC001473805726 1061416411 /nfs/dbraw/zinc/41/64/11/1061416411.db2.gz BBJILHVKLKIVRZ-LJQANCHMSA-N 1 3 312.501 4.057 20 0 DIADHO CCC1(N2CCC2)CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC001473805725 1061418025 /nfs/dbraw/zinc/41/80/25/1061418025.db2.gz BBJILHVKLKIVRZ-IBGZPJMESA-N 1 3 312.501 4.057 20 0 DIADHO CCC1([NH+]2CCC2)CCN(CC[C@@H]2CCc3ccccc32)CC1 ZINC001473805725 1061418028 /nfs/dbraw/zinc/41/80/28/1061418028.db2.gz BBJILHVKLKIVRZ-IBGZPJMESA-N 1 3 312.501 4.057 20 0 DIADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C2CCC(C3CCC3)CC2)C1 ZINC001473935950 1061482466 /nfs/dbraw/zinc/48/24/66/1061482466.db2.gz RHKUAYOEUKQUGS-NXMBOHNASA-N 1 3 306.538 4.303 20 0 DIADHO C[N@@H+]1CC[C@H](N[C@H](c2ccc(F)cc2)C(C)(C)C)CC1(C)C ZINC001473969398 1061512807 /nfs/dbraw/zinc/51/28/07/1061512807.db2.gz UGLOLDCEBBMIKT-DLBZAZTESA-N 1 3 306.469 4.375 20 0 DIADHO C[N@H+]1CC[C@H](N[C@H](c2ccc(F)cc2)C(C)(C)C)CC1(C)C ZINC001473969398 1061512820 /nfs/dbraw/zinc/51/28/20/1061512820.db2.gz UGLOLDCEBBMIKT-DLBZAZTESA-N 1 3 306.469 4.375 20 0 DIADHO CC1(C)CCC[C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C1 ZINC001473980195 1061523024 /nfs/dbraw/zinc/52/30/24/1061523024.db2.gz RHPMBJQUQNFBLU-UXHICEINSA-N 1 3 314.517 4.109 20 0 DIADHO CC1(C)CCC[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC001473980194 1061524012 /nfs/dbraw/zinc/52/40/12/1061524012.db2.gz RHPMBJQUQNFBLU-PMACEKPBSA-N 1 3 314.517 4.109 20 0 DIADHO C[C@@H](CCc1ccccc1)C[NH2+]CC[C@H](C)N1CCCCC1 ZINC001474108745 1061659100 /nfs/dbraw/zinc/65/91/00/1061659100.db2.gz FQPBXCCECPJXEU-OALUTQOASA-N 1 3 302.506 4.109 20 0 DIADHO C[C@H](CCc1ccccc1)C[NH2+]CC[C@H](C)N1CCCCC1 ZINC001474108744 1061659171 /nfs/dbraw/zinc/65/91/71/1061659171.db2.gz FQPBXCCECPJXEU-MOPGFXCFSA-N 1 3 302.506 4.109 20 0 DIADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)C1 ZINC001474209902 1061767400 /nfs/dbraw/zinc/76/74/00/1061767400.db2.gz KKEUPYNNDSHQRD-HLAWJBBLSA-N 1 3 314.517 4.424 20 0 DIADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC001474435991 1062112635 /nfs/dbraw/zinc/11/26/35/1062112635.db2.gz RYDLXPLHYIOHRV-YRXWBPOGSA-N 1 3 306.538 4.444 20 0 DIADHO C[C@H](CC[NH2+]C1CC(c2ccc(Cl)cc2)C1)N1CCCCC1 ZINC001474436980 1062113981 /nfs/dbraw/zinc/11/39/81/1062113981.db2.gz QUDPXWLQTXLFAR-LSJNQWAISA-N 1 3 320.908 4.440 20 0 DIADHO CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC001254488470 1062131554 /nfs/dbraw/zinc/13/15/54/1062131554.db2.gz WIQSXRYDJSTWIR-HSALFYBXSA-N 1 3 302.506 4.250 20 0 DIADHO CCC[C@H](CCc1ccccc1)[NH+]1CCC(N2CCCC2)CC1 ZINC001254492174 1062135986 /nfs/dbraw/zinc/13/59/86/1062135986.db2.gz RMQPSWAUGQOIAO-HXUWFJFHSA-N 1 3 314.517 4.348 20 0 DIADHO CCC[C@H](CCc1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC001254492174 1062135994 /nfs/dbraw/zinc/13/59/94/1062135994.db2.gz RMQPSWAUGQOIAO-HXUWFJFHSA-N 1 3 314.517 4.348 20 0 DIADHO CN1CCC[C@@H]([NH2+]Cc2ccccc2Oc2ccccc2)CC1 ZINC001254500528 1062142404 /nfs/dbraw/zinc/14/24/04/1062142404.db2.gz JHIQZFWWFKMIGB-GOSISDBHSA-N 1 3 310.441 4.053 20 0 DIADHO FC1(F)CC[C@H](CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC001459437241 1062146433 /nfs/dbraw/zinc/14/64/33/1062146433.db2.gz JESZKPGMSIZHER-IRXDYDNUSA-N 1 3 314.464 4.010 20 0 DIADHO CCN(Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254531011 1062163830 /nfs/dbraw/zinc/16/38/30/1062163830.db2.gz IPUOQCHIKYLQDY-MRXNPFEDSA-N 1 3 314.395 4.012 20 0 DIADHO CCN(Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254531011 1062163842 /nfs/dbraw/zinc/16/38/42/1062163842.db2.gz IPUOQCHIKYLQDY-MRXNPFEDSA-N 1 3 314.395 4.012 20 0 DIADHO CCCOc1ccc(C[N@H+](CC)CCCN2CCCC2)cc1C ZINC001474501604 1062184837 /nfs/dbraw/zinc/18/48/37/1062184837.db2.gz YRFRLVRSTWQXIL-UHFFFAOYSA-N 1 3 318.505 4.092 20 0 DIADHO CCCOc1ccc(C[N@@H+](CC)CCCN2CCCC2)cc1C ZINC001474501604 1062184847 /nfs/dbraw/zinc/18/48/47/1062184847.db2.gz YRFRLVRSTWQXIL-UHFFFAOYSA-N 1 3 318.505 4.092 20 0 DIADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc(C(C)(C)C)c2)[C@H](C)C1 ZINC001459668629 1062288326 /nfs/dbraw/zinc/28/83/26/1062288326.db2.gz LVNKDMUUCKRVEI-APWZRJJASA-N 1 3 302.506 4.146 20 0 DIADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc(C(C)(C)C)c2)[C@H](C)C1 ZINC001459668629 1062288349 /nfs/dbraw/zinc/28/83/49/1062288349.db2.gz LVNKDMUUCKRVEI-APWZRJJASA-N 1 3 302.506 4.146 20 0 DIADHO C[C@@]1(F)CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255137436 1062329894 /nfs/dbraw/zinc/32/98/94/1062329894.db2.gz RVBHBZSFBCSNFC-FUMNGEBKSA-N 1 3 316.464 4.006 20 0 DIADHO C[C@@]1(F)CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255137436 1062329911 /nfs/dbraw/zinc/32/99/11/1062329911.db2.gz RVBHBZSFBCSNFC-FUMNGEBKSA-N 1 3 316.464 4.006 20 0 DIADHO CC[N@H+](CCCNC[C@@H]1C[C@H]1c1ccccc1)C1CCCCC1 ZINC001474615259 1062334491 /nfs/dbraw/zinc/33/44/91/1062334491.db2.gz SQWXWOKHLZKNFD-FPOVZHCZSA-N 1 3 314.517 4.424 20 0 DIADHO CC[N@@H+](CCCNC[C@@H]1C[C@H]1c1ccccc1)C1CCCCC1 ZINC001474615259 1062334517 /nfs/dbraw/zinc/33/45/17/1062334517.db2.gz SQWXWOKHLZKNFD-FPOVZHCZSA-N 1 3 314.517 4.424 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C[C@]2(c3ccccc3)CC2(C)C)CC1 ZINC001474639645 1062364906 /nfs/dbraw/zinc/36/49/06/1062364906.db2.gz LBICHPXHHUAFFF-NRFANRHFSA-N 1 3 314.517 4.207 20 0 DIADHO CC(C)c1cccc(CN2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1 ZINC001474646497 1062371855 /nfs/dbraw/zinc/37/18/55/1062371855.db2.gz FCSDZBFJXCISHA-YLJYHZDGSA-N 1 3 302.506 4.362 20 0 DIADHO c1ccc(CN2CCC[C@H]([N@@H+]3CC[C@H]4CCC[C@@H]4C3)CC2)cc1 ZINC001255400043 1062432532 /nfs/dbraw/zinc/43/25/32/1062432532.db2.gz DCPSMGCIIXEOBV-NJYVYQBISA-N 1 3 312.501 4.163 20 0 DIADHO c1ccc(CN2CCC[C@H]([N@H+]3CC[C@H]4CCC[C@@H]4C3)CC2)cc1 ZINC001255400043 1062432543 /nfs/dbraw/zinc/43/25/43/1062432543.db2.gz DCPSMGCIIXEOBV-NJYVYQBISA-N 1 3 312.501 4.163 20 0 DIADHO FC(F)C1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255406430 1062439327 /nfs/dbraw/zinc/43/93/27/1062439327.db2.gz SFEZTBUQKRRDAZ-GOSISDBHSA-N 1 3 322.443 4.018 20 0 DIADHO FC(F)C1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255406430 1062439332 /nfs/dbraw/zinc/43/93/32/1062439332.db2.gz SFEZTBUQKRRDAZ-GOSISDBHSA-N 1 3 322.443 4.018 20 0 DIADHO c1ccc(CN2CCC[C@H]([NH+]3CC(c4ccccc4)C3)CC2)cc1 ZINC001255408517 1062439877 /nfs/dbraw/zinc/43/98/77/1062439877.db2.gz MYPFYADVJXFCOJ-QFIPXVFZSA-N 1 3 320.480 4.141 20 0 DIADHO Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)CC(C)(C)CN(C)C ZINC001474739867 1062454736 /nfs/dbraw/zinc/45/47/36/1062454736.db2.gz HTQFCYRMISOLMC-UHFFFAOYSA-N 1 3 316.411 4.033 20 0 DIADHO Cc1cc(C(F)(F)F)ccc1C[N@H+](C)CC(C)(C)CN(C)C ZINC001474739867 1062454745 /nfs/dbraw/zinc/45/47/45/1062454745.db2.gz HTQFCYRMISOLMC-UHFFFAOYSA-N 1 3 316.411 4.033 20 0 DIADHO CCC[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC001255670365 1062510163 /nfs/dbraw/zinc/51/01/63/1062510163.db2.gz QKRZEFKLZPIEJJ-XVLXNVKGSA-N 1 3 304.453 4.272 20 0 DIADHO CCC[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001255670365 1062510187 /nfs/dbraw/zinc/51/01/87/1062510187.db2.gz QKRZEFKLZPIEJJ-XVLXNVKGSA-N 1 3 304.453 4.272 20 0 DIADHO C[C@@H](c1ccccc1Cl)[N@H+](C)C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255684233 1062513478 /nfs/dbraw/zinc/51/34/78/1062513478.db2.gz UWTBAPNXPYXKQV-LSVZVQIISA-N 1 3 306.881 4.348 20 0 DIADHO C[C@@H](c1ccccc1Cl)[N@@H+](C)C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255684233 1062513500 /nfs/dbraw/zinc/51/35/00/1062513500.db2.gz UWTBAPNXPYXKQV-LSVZVQIISA-N 1 3 306.881 4.348 20 0 DIADHO CCC(CC)N1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001255698519 1062522498 /nfs/dbraw/zinc/52/24/98/1062522498.db2.gz XXIXWMWRPSDBTO-UKRRQHHQSA-N 1 3 320.443 4.350 20 0 DIADHO CCC(CC)N1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001255698518 1062523667 /nfs/dbraw/zinc/52/36/67/1062523667.db2.gz XXIXWMWRPSDBTO-HIFRSBDPSA-N 1 3 320.443 4.350 20 0 DIADHO CCN(CC)CCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC001459981324 1062542734 /nfs/dbraw/zinc/54/27/34/1062542734.db2.gz YDVZEDKAMIIOQB-PWRODBHTSA-N 1 3 314.517 4.377 20 0 DIADHO CCN(CC)CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC001459981324 1062542763 /nfs/dbraw/zinc/54/27/63/1062542763.db2.gz YDVZEDKAMIIOQB-PWRODBHTSA-N 1 3 314.517 4.377 20 0 DIADHO C[C@H](CSc1ccc(F)cc1)NCCC[N@@H+]1CCCC[C@@H]1C ZINC001255727851 1062547427 /nfs/dbraw/zinc/54/74/27/1062547427.db2.gz IFRBEKVDQYYIAO-CVEARBPZSA-N 1 3 324.509 4.160 20 0 DIADHO C[C@H](CSc1ccc(F)cc1)NCCC[N@H+]1CCCC[C@@H]1C ZINC001255727851 1062547447 /nfs/dbraw/zinc/54/74/47/1062547447.db2.gz IFRBEKVDQYYIAO-CVEARBPZSA-N 1 3 324.509 4.160 20 0 DIADHO C[C@@H](CSc1ccc(F)cc1)NCCC[NH+]1CCC(C)CC1 ZINC001255734626 1062558579 /nfs/dbraw/zinc/55/85/79/1062558579.db2.gz YUASCJYFXVABLD-INIZCTEOSA-N 1 3 324.509 4.018 20 0 DIADHO C[C@@H](CSc1ccc(F)cc1)[NH2+]CCCN1CCC(C)CC1 ZINC001255734626 1062558596 /nfs/dbraw/zinc/55/85/96/1062558596.db2.gz YUASCJYFXVABLD-INIZCTEOSA-N 1 3 324.509 4.018 20 0 DIADHO Cc1ccc(SC[C@H](C)[NH+]2C(C)(C)CC(N)CC2(C)C)cc1 ZINC001255753029 1062576354 /nfs/dbraw/zinc/57/63/54/1062576354.db2.gz NUHICNLAZZFXLB-HNNXBMFYSA-N 1 3 320.546 4.456 20 0 DIADHO Cc1ccc(SC[C@H](C)N2C(C)(C)CC([NH3+])CC2(C)C)cc1 ZINC001255753029 1062576374 /nfs/dbraw/zinc/57/63/74/1062576374.db2.gz NUHICNLAZZFXLB-HNNXBMFYSA-N 1 3 320.546 4.456 20 0 DIADHO Cc1ccc(SC[C@H](C)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC001255759625 1062583066 /nfs/dbraw/zinc/58/30/66/1062583066.db2.gz ZTKONKHGZSFDHB-INIZCTEOSA-N 1 3 318.530 4.082 20 0 DIADHO Cc1ccc(C[C@H](C)[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)cc1 ZINC001255780751 1062602196 /nfs/dbraw/zinc/60/21/96/1062602196.db2.gz QLCCTGFUMPMVLD-INIZCTEOSA-N 1 3 302.506 4.167 20 0 DIADHO C[C@H](Cc1ccc(F)cc1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001255864566 1062642159 /nfs/dbraw/zinc/64/21/59/1062642159.db2.gz GURRSUPFJJXJTC-MRXNPFEDSA-N 1 3 318.480 4.001 20 0 DIADHO CC(C)(C)SCCC[NH+]1CCC(NCc2ccccc2)CC1 ZINC001460129300 1062652078 /nfs/dbraw/zinc/65/20/78/1062652078.db2.gz LTLDBUHKQZTMBL-UHFFFAOYSA-N 1 3 320.546 4.162 20 0 DIADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC001255948237 1062670745 /nfs/dbraw/zinc/67/07/45/1062670745.db2.gz HXCKBLROTRZNFR-HNAYVOBHSA-N 1 3 306.469 4.377 20 0 DIADHO CC(C)CC[C@H](C)[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001256358682 1062785121 /nfs/dbraw/zinc/78/51/21/1062785121.db2.gz IHTJZDAVEZJJQX-KRWDZBQOSA-N 1 3 320.496 4.452 20 0 DIADHO C[C@H]1C[C@H](N2Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256539868 1062863789 /nfs/dbraw/zinc/86/37/89/1062863789.db2.gz YNNIAIQDAFXWKQ-LAUBAEHRSA-N 1 3 306.453 4.055 20 0 DIADHO C[C@H]1C[C@H](N2Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC001256539868 1062863811 /nfs/dbraw/zinc/86/38/11/1062863811.db2.gz YNNIAIQDAFXWKQ-LAUBAEHRSA-N 1 3 306.453 4.055 20 0 DIADHO Cc1cccc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001256538669 1062864347 /nfs/dbraw/zinc/86/43/47/1062864347.db2.gz UZQKEQNVACIMAO-UGKGYDQZSA-N 1 3 322.496 4.480 20 0 DIADHO Cc1cccc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001256538669 1062864368 /nfs/dbraw/zinc/86/43/68/1062864368.db2.gz UZQKEQNVACIMAO-UGKGYDQZSA-N 1 3 322.496 4.480 20 0 DIADHO Cc1ccccc1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256548948 1062870311 /nfs/dbraw/zinc/87/03/11/1062870311.db2.gz CSUAKBICHMBMCY-SIKLNZKXSA-N 1 3 322.496 4.480 20 0 DIADHO Cc1ccccc1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256548948 1062870332 /nfs/dbraw/zinc/87/03/32/1062870332.db2.gz CSUAKBICHMBMCY-SIKLNZKXSA-N 1 3 322.496 4.480 20 0 DIADHO Cc1ccccc1CC1(C[NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC001256565811 1062888136 /nfs/dbraw/zinc/88/81/36/1062888136.db2.gz ARABHBFVKAMHSO-UHFFFAOYSA-N 1 3 314.517 4.170 20 0 DIADHO CC(C)(C)N1CCC([NH2+]CC2(Cc3cccc(F)c3)CC2)CC1 ZINC001256566904 1062889648 /nfs/dbraw/zinc/88/96/48/1062889648.db2.gz OCYMCSQTJNFXMU-UHFFFAOYSA-N 1 3 318.480 4.001 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC001256563399 1062891666 /nfs/dbraw/zinc/89/16/66/1062891666.db2.gz BGNUQMNQOQPPCH-QGZVFWFLSA-N 1 3 306.881 4.180 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC001256563396 1062891902 /nfs/dbraw/zinc/89/19/02/1062891902.db2.gz BGNUQMNQOQPPCH-KRWDZBQOSA-N 1 3 306.881 4.180 20 0 DIADHO CC(C)(C)[NH+]1CCC(N2CCC3(C=Cc4ccccc43)CC2)CC1 ZINC001256570094 1062893269 /nfs/dbraw/zinc/89/32/69/1062893269.db2.gz XTVHPYORFJPQDT-UHFFFAOYSA-N 1 3 324.512 4.310 20 0 DIADHO CC(C)(C)N1CCC([N@@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001256572837 1062893628 /nfs/dbraw/zinc/89/36/28/1062893628.db2.gz ZARIGGQABFVADB-GOSISDBHSA-N 1 3 304.453 4.226 20 0 DIADHO CC(C)(C)N1CCC([N@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001256572837 1062893645 /nfs/dbraw/zinc/89/36/45/1062893645.db2.gz ZARIGGQABFVADB-GOSISDBHSA-N 1 3 304.453 4.226 20 0 DIADHO CC(C)(C)[NH+]1CCC(N2CCCC[C@@H]2c2ccccc2)CC1 ZINC001256569018 1062895083 /nfs/dbraw/zinc/89/50/83/1062895083.db2.gz NVWKKVCGXANANQ-LJQANCHMSA-N 1 3 300.490 4.477 20 0 DIADHO Cc1ccc([C@H]2CCCN2C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001256572085 1062896063 /nfs/dbraw/zinc/89/60/63/1062896063.db2.gz ODCVFBMCWIUWKX-LJQANCHMSA-N 1 3 300.490 4.395 20 0 DIADHO CC(C)(C)[NH+]1CCC(N2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC001256577241 1062898766 /nfs/dbraw/zinc/89/87/66/1062898766.db2.gz FWMLWGXBWILHHI-LJQANCHMSA-N 1 3 318.480 4.096 20 0 DIADHO c1ccc(C[NH+]2CCC(N3CCC4(CCCC4)CC3)CC2)cc1 ZINC001256605188 1062915858 /nfs/dbraw/zinc/91/58/58/1062915858.db2.gz DMPVWCFRWLOLCS-UHFFFAOYSA-N 1 3 312.501 4.307 20 0 DIADHO [NH2+]=C(N[C@@H]1CCCN(C2CCCC2)C1)c1cccc2ccccc21 ZINC001256908294 1063041633 /nfs/dbraw/zinc/04/16/33/1063041633.db2.gz MDMVBVSPMMEBBZ-QGZVFWFLSA-N 1 3 321.468 4.162 20 0 DIADHO CCC1(N2CCC2)CC[NH+]([C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC001460795313 1063062615 /nfs/dbraw/zinc/06/26/15/1063062615.db2.gz OZFUAFFJONHZEO-QGZVFWFLSA-N 1 3 312.501 4.187 20 0 DIADHO CC(C)N1CCC([NH2+]Cc2ccc(-c3ccsc3)cc2)CC1 ZINC001257207928 1063137970 /nfs/dbraw/zinc/13/79/70/1063137970.db2.gz ASFGPURNCCZKJL-UHFFFAOYSA-N 1 3 314.498 4.378 20 0 DIADHO CC(C)[NH+]1CCC(N2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001257221648 1063148581 /nfs/dbraw/zinc/14/85/81/1063148581.db2.gz BJTAIHUDPDRCLU-INIZCTEOSA-N 1 3 306.881 4.002 20 0 DIADHO CCCC(CCC)[NH+]1CCC(N)(Cc2ccc(F)cc2)CC1 ZINC001257332514 1063212569 /nfs/dbraw/zinc/21/25/69/1063212569.db2.gz XCOIEFFLWOOPQN-UHFFFAOYSA-N 1 3 306.469 4.130 20 0 DIADHO CCCCCC[C@@H](C)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001257357259 1063229122 /nfs/dbraw/zinc/22/91/22/1063229122.db2.gz KYPOZWUYIYFQBX-MRXNPFEDSA-N 1 3 306.469 4.434 20 0 DIADHO Clc1ccc(CN2CCC(C[NH2+]C3CCCCC3)CC2)cc1 ZINC001257452764 1063285107 /nfs/dbraw/zinc/28/51/07/1063285107.db2.gz NBOKMFWHEUIJTM-UHFFFAOYSA-N 1 3 320.908 4.474 20 0 DIADHO CCC[C@H](C)CC[C@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001257478921 1063299183 /nfs/dbraw/zinc/29/91/83/1063299183.db2.gz XQNOQVLHURMDEU-ROUUACIJSA-N 1 3 324.553 4.072 20 0 DIADHO CCC[C@H](C)CC[C@@H](C)[NH+]1CCC(N(CC)[C@H]2CCOC2)CC1 ZINC001257480295 1063300298 /nfs/dbraw/zinc/30/02/98/1063300298.db2.gz CZGZCGKCVCQPAV-NSHGMRRFSA-N 1 3 324.553 4.167 20 0 DIADHO CCC[C@H](C)CC[C@H](C)N1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001257485979 1063308008 /nfs/dbraw/zinc/30/80/08/1063308008.db2.gz RQBOIUMABPYXQR-ROUUACIJSA-N 1 3 324.553 4.167 20 0 DIADHO C[NH+](C)[C@H]1CCC[C@@H](NCc2ccccc2-c2ccccc2)C1 ZINC001461258287 1063371255 /nfs/dbraw/zinc/37/12/55/1063371255.db2.gz UARVGNDUSJYZMQ-UXHICEINSA-N 1 3 308.469 4.316 20 0 DIADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC001461258287 1063371273 /nfs/dbraw/zinc/37/12/73/1063371273.db2.gz UARVGNDUSJYZMQ-UXHICEINSA-N 1 3 308.469 4.316 20 0 DIADHO C[NH+](C)[C@@H]1CCC[C@H](NCc2ccccc2-c2ccccc2)C1 ZINC001461258288 1063372100 /nfs/dbraw/zinc/37/21/00/1063372100.db2.gz UARVGNDUSJYZMQ-VQTJNVASSA-N 1 3 308.469 4.316 20 0 DIADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC001461258288 1063372114 /nfs/dbraw/zinc/37/21/14/1063372114.db2.gz UARVGNDUSJYZMQ-VQTJNVASSA-N 1 3 308.469 4.316 20 0 DIADHO CC[C@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccc(F)c(C)c1 ZINC001258008855 1063462616 /nfs/dbraw/zinc/46/26/16/1063462616.db2.gz HETCGLUSYMPNAW-IBGZPJMESA-N 1 3 306.469 4.295 20 0 DIADHO CC[N@H+]([C@@H]1CCOC1)C1CCN([C@H](C)C[C@@H](C)CC(C)C)CC1 ZINC001258075255 1063502593 /nfs/dbraw/zinc/50/25/93/1063502593.db2.gz TXKWKJCLWDYXPS-NLWGTHIKSA-N 1 3 324.553 4.022 20 0 DIADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN([C@H](C)C[C@@H](C)CC(C)C)CC1 ZINC001258075255 1063502612 /nfs/dbraw/zinc/50/26/12/1063502612.db2.gz TXKWKJCLWDYXPS-NLWGTHIKSA-N 1 3 324.553 4.022 20 0 DIADHO Cc1ccc(CNC2CC[NH+](CCc3ccccc3)CC2)cc1C ZINC001258133816 1063528440 /nfs/dbraw/zinc/52/84/40/1063528440.db2.gz RFUZKRMHTXTXHJ-UHFFFAOYSA-N 1 3 322.496 4.100 20 0 DIADHO Cc1ccc(CN(C)C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001258145811 1063532337 /nfs/dbraw/zinc/53/23/37/1063532337.db2.gz LPUFEKDTTKHFSY-UHFFFAOYSA-N 1 3 322.496 4.134 20 0 DIADHO C[C@H](C[NH2+]Cc1ccc(Sc2ccccc2)cc1)CN(C)C ZINC001461540121 1063568140 /nfs/dbraw/zinc/56/81/40/1063568140.db2.gz NDOCICWKIAFKSP-MRXNPFEDSA-N 1 3 314.498 4.125 20 0 DIADHO NC1(Cc2ccc(F)cc2)CC[NH+](C2CCCCCCC2)CC1 ZINC001258237299 1063574642 /nfs/dbraw/zinc/57/46/42/1063574642.db2.gz HBKPEZXSZJWAOB-UHFFFAOYSA-N 1 3 318.480 4.274 20 0 DIADHO CCC[N@H+](CCCN)[C@@H](C)CC(C)(C)SCc1ccco1 ZINC001258293971 1063592242 /nfs/dbraw/zinc/59/22/42/1063592242.db2.gz FBULJRVNCNPDRD-HNNXBMFYSA-N 1 3 312.523 4.131 20 0 DIADHO CCC[N@@H+](CCCN)[C@@H](C)CC(C)(C)SCc1ccco1 ZINC001258293971 1063592254 /nfs/dbraw/zinc/59/22/54/1063592254.db2.gz FBULJRVNCNPDRD-HNNXBMFYSA-N 1 3 312.523 4.131 20 0 DIADHO C[C@@H](CC(C)(C)SCc1ccco1)[NH2+]CC[C@@H]1CCCN1C ZINC001258303690 1063600735 /nfs/dbraw/zinc/60/07/35/1063600735.db2.gz WKABKDHSMNCXQO-HOTGVXAUSA-N 1 3 324.534 4.144 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[NH2+]CC[C@H]1CCCN1C ZINC001258303692 1063600838 /nfs/dbraw/zinc/60/08/38/1063600838.db2.gz WKABKDHSMNCXQO-HZPDHXFCSA-N 1 3 324.534 4.144 20 0 DIADHO C[C@@H](CC(C)(C)SCc1ccco1)[NH+]1CCC(N(C)C)CC1 ZINC001258307193 1063604131 /nfs/dbraw/zinc/60/41/31/1063604131.db2.gz WREFQEHDBFSEBY-HNNXBMFYSA-N 1 3 324.534 4.096 20 0 DIADHO C[C@@H](CC(C)(C)SCc1ccco1)N1CCC([NH+](C)C)CC1 ZINC001258307193 1063604136 /nfs/dbraw/zinc/60/41/36/1063604136.db2.gz WREFQEHDBFSEBY-HNNXBMFYSA-N 1 3 324.534 4.096 20 0 DIADHO CSC(C)(C)C[C@H](C)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001258315015 1063605937 /nfs/dbraw/zinc/60/59/37/1063605937.db2.gz JKYSZCIOQVOLOH-DOTOQJQBSA-N 1 3 308.535 4.189 20 0 DIADHO CCCCC[C@@H](CC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001258434972 1063652427 /nfs/dbraw/zinc/65/24/27/1063652427.db2.gz SZGUBWNKVWWZFD-HXUWFJFHSA-N 1 3 317.521 4.242 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)[NH+]1CCC(N(C)C2CC2)CC1 ZINC001258714516 1063770639 /nfs/dbraw/zinc/77/06/39/1063770639.db2.gz QGYUGCJESSINAI-NRFANRHFSA-N 1 3 314.517 4.347 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)N1CCC([N@H+](C)C2CC2)CC1 ZINC001258714516 1063770647 /nfs/dbraw/zinc/77/06/47/1063770647.db2.gz QGYUGCJESSINAI-NRFANRHFSA-N 1 3 314.517 4.347 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)N1CCC([N@@H+](C)C2CC2)CC1 ZINC001258714516 1063770652 /nfs/dbraw/zinc/77/06/52/1063770652.db2.gz QGYUGCJESSINAI-NRFANRHFSA-N 1 3 314.517 4.347 20 0 DIADHO CCC(CC)[N@@H+]1CC[C@H](N[C@H](C)Cc2cccc(Cl)c2)C1 ZINC001258741188 1063790703 /nfs/dbraw/zinc/79/07/03/1063790703.db2.gz GULPHXUCDTYAGH-PBHICJAKSA-N 1 3 308.897 4.124 20 0 DIADHO CCC(CC)[N@H+]1CC[C@H](N[C@H](C)Cc2cccc(Cl)c2)C1 ZINC001258741188 1063790715 /nfs/dbraw/zinc/79/07/15/1063790715.db2.gz GULPHXUCDTYAGH-PBHICJAKSA-N 1 3 308.897 4.124 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)NCc1c(Cl)ccc(C)c1F ZINC001258898586 1063874593 /nfs/dbraw/zinc/87/45/93/1063874593.db2.gz MACMPHSDDIKIBF-AWEZNQCLSA-N 1 3 314.876 4.388 20 0 DIADHO C[C@H](C[NH2+]CC[C@H](C)N1CCCCC1)c1cccc(Cl)c1 ZINC001462080727 1063919467 /nfs/dbraw/zinc/91/94/67/1063919467.db2.gz DBEJTDSMCUFTKB-CVEARBPZSA-N 1 3 308.897 4.298 20 0 DIADHO CCc1ccc(CNCc2ccc(C[NH+](CC)CC)cc2)s1 ZINC000378912690 1063981319 /nfs/dbraw/zinc/98/13/19/1063981319.db2.gz JVYCYMTYXKORAR-UHFFFAOYSA-N 1 3 316.514 4.442 20 0 DIADHO c1ccc(CN2CCCC[C@H](C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC000378965522 1063983270 /nfs/dbraw/zinc/98/32/70/1063983270.db2.gz UERFFAUBMPZUJW-CGXNFDGLSA-N 1 3 312.501 4.067 20 0 DIADHO Cc1cccc(C)c1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379628062 1063984811 /nfs/dbraw/zinc/98/48/11/1063984811.db2.gz IOFGYHZQIVKXKW-TZIWHRDSSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1cccc(C)c1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379628062 1063984822 /nfs/dbraw/zinc/98/48/22/1063984822.db2.gz IOFGYHZQIVKXKW-TZIWHRDSSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000379646686 1063985093 /nfs/dbraw/zinc/98/50/93/1063985093.db2.gz FYQJUTVCQQNSOE-PGRDOPGGSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000379646686 1063985095 /nfs/dbraw/zinc/98/50/95/1063985095.db2.gz FYQJUTVCQQNSOE-PGRDOPGGSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000379646683 1063985915 /nfs/dbraw/zinc/98/59/15/1063985915.db2.gz FYQJUTVCQQNSOE-AVRDEDQJSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000379646683 1063985924 /nfs/dbraw/zinc/98/59/24/1063985924.db2.gz FYQJUTVCQQNSOE-AVRDEDQJSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1cc(C)cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379632649 1063986282 /nfs/dbraw/zinc/98/62/82/1063986282.db2.gz NUODOBAHRSWFBC-DENIHFKCSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1cc(C)cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379632649 1063986285 /nfs/dbraw/zinc/98/62/85/1063986285.db2.gz NUODOBAHRSWFBC-DENIHFKCSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1C ZINC000379654964 1063987191 /nfs/dbraw/zinc/98/71/91/1063987191.db2.gz KKZFJMZLDJOABJ-KNQAVFIVSA-N 1 3 322.496 4.446 20 0 DIADHO Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1C ZINC000379654964 1063987203 /nfs/dbraw/zinc/98/72/03/1063987203.db2.gz KKZFJMZLDJOABJ-KNQAVFIVSA-N 1 3 322.496 4.446 20 0 DIADHO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000390811816 1064170453 /nfs/dbraw/zinc/17/04/53/1064170453.db2.gz WHNMPOJXTWOHBH-OBJCFNGXSA-N 1 3 312.501 4.065 20 0 DIADHO Fc1ccc(CN2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)cc1 ZINC001279144671 1064335079 /nfs/dbraw/zinc/33/50/79/1064335079.db2.gz LIQPRAXOJDLHCS-UHFFFAOYSA-N 1 3 316.464 4.056 20 0 DIADHO Fc1ccc(CN2CCC3(CC[N@H+](C4CCCC4)C3)CC2)cc1 ZINC001279144671 1064335087 /nfs/dbraw/zinc/33/50/87/1064335087.db2.gz LIQPRAXOJDLHCS-UHFFFAOYSA-N 1 3 316.464 4.056 20 0 DIADHO C[N@@H+]1CCCC2(CCN(Cc3ccc(F)c(C4CC4)c3)CC2)C1 ZINC001280345352 1064395488 /nfs/dbraw/zinc/39/54/88/1064395488.db2.gz AREVTNWNAPTKBM-UHFFFAOYSA-N 1 3 316.464 4.011 20 0 DIADHO C[N@H+]1CCCC2(CCN(Cc3ccc(F)c(C4CC4)c3)CC2)C1 ZINC001280345352 1064395495 /nfs/dbraw/zinc/39/54/95/1064395495.db2.gz AREVTNWNAPTKBM-UHFFFAOYSA-N 1 3 316.464 4.011 20 0 DIADHO CC1CC[NH+](C[C@@H]2CCCN(CCC3=CCCCC3)C2)CC1 ZINC001307439897 1065400179 /nfs/dbraw/zinc/40/01/79/1065400179.db2.gz CEAIFGPMYYIRTD-HXUWFJFHSA-N 1 3 304.522 4.321 20 0 DIADHO CCCCN(CCOCC(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001307967141 1065701603 /nfs/dbraw/zinc/70/16/03/1065701603.db2.gz NFIKSIGWGFTWKW-UHFFFAOYSA-N 1 3 312.542 4.070 20 0 DIADHO Cc1ccccc1-c1ccccc1CNC[C@@H](C)C[NH+]1CCCC1 ZINC001308208212 1065816814 /nfs/dbraw/zinc/81/68/14/1065816814.db2.gz MIFUPROIATUGTC-GOSISDBHSA-N 1 3 322.496 4.484 20 0 DIADHO CCN1CC[C@H](C[NH2+]C[C@H](C)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001308208945 1065817710 /nfs/dbraw/zinc/81/77/10/1065817710.db2.gz JLZJUXTXHUHLMA-IEBWSBKVSA-N 1 3 316.533 4.094 20 0 DIADHO Cc1ccccc1-c1ccccc1CNC[C@H](C)C[NH+]1CCCC1 ZINC001308208213 1065818193 /nfs/dbraw/zinc/81/81/93/1065818193.db2.gz MIFUPROIATUGTC-SFHVURJKSA-N 1 3 322.496 4.484 20 0 DIADHO CC(C)[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)c1ccccc1 ZINC001308299453 1065894447 /nfs/dbraw/zinc/89/44/47/1065894447.db2.gz CYKDMMOIRVQQMB-NRFANRHFSA-N 1 3 314.517 4.423 20 0 DIADHO CC[C@@H](C[NH2+]C1CCN(CC2CCCC2)CC1)c1ccccc1 ZINC001308360083 1065938484 /nfs/dbraw/zinc/93/84/84/1065938484.db2.gz JXPVTPXYCZXQHM-IBGZPJMESA-N 1 3 314.517 4.424 20 0 DIADHO C[NH+](C)CC[C@H](NC1CC(C)(C)CC(C)(C)C1)c1cccnc1 ZINC001308530666 1066050405 /nfs/dbraw/zinc/05/04/05/1066050405.db2.gz XSNOLZAWMPJVHG-SFHVURJKSA-N 1 3 317.521 4.269 20 0 DIADHO CC1=CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001308636139 1066130009 /nfs/dbraw/zinc/13/00/09/1066130009.db2.gz UGQHBTQYYXCXFM-CLAROIROSA-N 1 3 324.512 4.376 20 0 DIADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(-c2cccs2)cc1 ZINC001308747182 1066221594 /nfs/dbraw/zinc/22/15/94/1066221594.db2.gz WDOGUABVXHTWCL-CRAIPNDOSA-N 1 3 314.498 4.187 20 0 DIADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(-c2cccs2)cc1 ZINC001308747182 1066221602 /nfs/dbraw/zinc/22/16/02/1066221602.db2.gz WDOGUABVXHTWCL-CRAIPNDOSA-N 1 3 314.498 4.187 20 0 DIADHO c1ccc(CN2CCCC[C@H](C[NH2+][C@@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC001308803497 1066279773 /nfs/dbraw/zinc/27/97/73/1066279773.db2.gz VXMJHOJVYDNSKX-HMXCVIKNSA-N 1 3 312.501 4.067 20 0 DIADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3C[C@H]3CC(C)(C)C)CC2)C1 ZINC001308853185 1066335131 /nfs/dbraw/zinc/33/51/31/1066335131.db2.gz YTNAVOLSJUUZHJ-KCITZHQASA-N 1 3 306.538 4.444 20 0 DIADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC001308863900 1066343415 /nfs/dbraw/zinc/34/34/15/1066343415.db2.gz ODCOYFDWBVPELX-MISYRCLQSA-N 1 3 300.490 4.034 20 0 DIADHO CC[C@H](CC1CCCCC1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC001308882899 1066364170 /nfs/dbraw/zinc/36/41/70/1066364170.db2.gz BYPGSOJFPFLPPS-WOJBJXKFSA-N 1 3 306.538 4.447 20 0 DIADHO CCN(CC)CC[C@H]([NH2+][C@@H]1CC[C@@H]1C(C)C)c1ccccc1 ZINC001308981805 1066431740 /nfs/dbraw/zinc/43/17/40/1066431740.db2.gz MXAKAMVKRNBHRF-HSALFYBXSA-N 1 3 302.506 4.484 20 0 DIADHO CCN(CC)CC[C@H]([NH2+][C@@H]1CC[C@H]1C(C)C)c1ccccc1 ZINC001308981807 1066431758 /nfs/dbraw/zinc/43/17/58/1066431758.db2.gz MXAKAMVKRNBHRF-SLFFLAALSA-N 1 3 302.506 4.484 20 0 DIADHO C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152382659 335043507 /nfs/dbraw/zinc/04/35/07/335043507.db2.gz FRQWAPDAIXZARS-ZIAGYGMSSA-N 1 3 314.395 4.040 20 0 DIADHO C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152382659 335043509 /nfs/dbraw/zinc/04/35/09/335043509.db2.gz FRQWAPDAIXZARS-ZIAGYGMSSA-N 1 3 314.395 4.040 20 0 DIADHO FC(F)(F)C1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000262066724 331958825 /nfs/dbraw/zinc/95/88/25/331958825.db2.gz FPDRGYASNISXDN-KDQUWOQTSA-N 1 3 318.427 4.008 20 0 DIADHO CCCCN1CCC([NH2+]Cc2ccc(OCC(C)C)cc2)CC1 ZINC000518276845 332004887 /nfs/dbraw/zinc/00/48/87/332004887.db2.gz WJFODFHBAUORHD-UHFFFAOYSA-N 1 3 318.505 4.076 20 0 DIADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(C2CC2)c1 ZINC000569511685 332116087 /nfs/dbraw/zinc/11/60/87/332116087.db2.gz LRZGKHVHOVZMBO-INIZCTEOSA-N 1 3 308.469 4.476 20 0 DIADHO CC[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000394272446 332207526 /nfs/dbraw/zinc/20/75/26/332207526.db2.gz AILNCKUMBOROOZ-HKUYNNGSSA-N 1 3 314.498 4.311 20 0 DIADHO CC[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000394272446 332207527 /nfs/dbraw/zinc/20/75/27/332207527.db2.gz AILNCKUMBOROOZ-HKUYNNGSSA-N 1 3 314.498 4.311 20 0 DIADHO C1CCC(N2CCC([NH2+][C@H]3CCCCC34CCCC4)CC2)C1 ZINC000559773973 332280503 /nfs/dbraw/zinc/28/05/03/332280503.db2.gz KKFJXSGBZILRTN-IBGZPJMESA-N 1 3 304.522 4.486 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OC(C)C)c(Cl)c2)C1 ZINC000560247872 332323394 /nfs/dbraw/zinc/32/33/94/332323394.db2.gz GIOANAMGFGYWLA-HUUCEWRRSA-N 1 3 324.896 4.120 20 0 DIADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cc3ccccc3o2)C1 ZINC000518763343 333006044 /nfs/dbraw/zinc/00/60/44/333006044.db2.gz DBKDYJJZESIERU-IAGOWNOFSA-N 1 3 314.473 4.281 20 0 DIADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(-c2ccccc2)cc1 ZINC000580245605 333040326 /nfs/dbraw/zinc/04/03/26/333040326.db2.gz WKTMGCYSUDKIMQ-LAUBAEHRSA-N 1 3 308.469 4.126 20 0 DIADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(-c2ccccc2)cc1 ZINC000580245605 333040327 /nfs/dbraw/zinc/04/03/27/333040327.db2.gz WKTMGCYSUDKIMQ-LAUBAEHRSA-N 1 3 308.469 4.126 20 0 DIADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(-c2ccccc2)cc1 ZINC000580245604 333040406 /nfs/dbraw/zinc/04/04/06/333040406.db2.gz WKTMGCYSUDKIMQ-DYESRHJHSA-N 1 3 308.469 4.126 20 0 DIADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(-c2ccccc2)cc1 ZINC000580245604 333040407 /nfs/dbraw/zinc/04/04/07/333040407.db2.gz WKTMGCYSUDKIMQ-DYESRHJHSA-N 1 3 308.469 4.126 20 0 DIADHO C[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000462744693 333106698 /nfs/dbraw/zinc/10/66/98/333106698.db2.gz MKMPAYHPCQUHHD-YJBOKZPZSA-N 1 3 320.908 4.330 20 0 DIADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccsc2)c1 ZINC000177979682 333133866 /nfs/dbraw/zinc/13/38/66/333133866.db2.gz WEHAUUOVBDJBRS-HNNXBMFYSA-N 1 3 302.487 4.439 20 0 DIADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccsc2)c1 ZINC000177979682 333133868 /nfs/dbraw/zinc/13/38/68/333133868.db2.gz WEHAUUOVBDJBRS-HNNXBMFYSA-N 1 3 302.487 4.439 20 0 DIADHO c1ccc(C[N@H+]2CC[C@@H](CN[C@H]3CCCc4ccccc43)C2)cc1 ZINC000310090912 333217939 /nfs/dbraw/zinc/21/79/39/333217939.db2.gz RAKAELLFKSZUAY-UGKGYDQZSA-N 1 3 320.480 4.176 20 0 DIADHO c1ccc(C[N@@H+]2CC[C@@H](CN[C@H]3CCCc4ccccc43)C2)cc1 ZINC000310090912 333217941 /nfs/dbraw/zinc/21/79/41/333217941.db2.gz RAKAELLFKSZUAY-UGKGYDQZSA-N 1 3 320.480 4.176 20 0 DIADHO CCCN1CC[C@@H](C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000497518135 333258916 /nfs/dbraw/zinc/25/89/16/333258916.db2.gz KTIHRCOYVSPXGD-JXFKEZNVSA-N 1 3 316.464 4.083 20 0 DIADHO C[C@@H](C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)CN1CCCC1 ZINC000497823624 333297142 /nfs/dbraw/zinc/29/71/42/333297142.db2.gz TYJHWHPPLCZGKT-OXJNMPFZSA-N 1 3 316.464 4.083 20 0 DIADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2cccs2)cc1 ZINC000020016338 333305276 /nfs/dbraw/zinc/30/52/76/333305276.db2.gz KNKANJAHYJTPOB-OAHLLOKOSA-N 1 3 302.487 4.441 20 0 DIADHO Cc1ccccc1[C@@H](C)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390744239 333322858 /nfs/dbraw/zinc/32/28/58/333322858.db2.gz OPZOMDAFODOUSB-UYAOXDASSA-N 1 3 308.469 4.168 20 0 DIADHO Cc1ccccc1[C@@H](C)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390744239 333322860 /nfs/dbraw/zinc/32/28/60/333322860.db2.gz OPZOMDAFODOUSB-UYAOXDASSA-N 1 3 308.469 4.168 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H]2c3ccccc3C[C@@H]2C)c1 ZINC000123927488 333337671 /nfs/dbraw/zinc/33/76/71/333337671.db2.gz LPLUBLXATRLMDA-HRAATJIYSA-N 1 3 308.469 4.161 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2c3ccccc3C[C@@H]2C)c1 ZINC000123927488 333337672 /nfs/dbraw/zinc/33/76/72/333337672.db2.gz LPLUBLXATRLMDA-HRAATJIYSA-N 1 3 308.469 4.161 20 0 DIADHO CC[NH+](CC)Cc1ccc(CNCc2sccc2C)cc1 ZINC000020556746 333371314 /nfs/dbraw/zinc/37/13/14/333371314.db2.gz HVGFZWLLFYABHB-UHFFFAOYSA-N 1 3 302.487 4.188 20 0 DIADHO COc1ccc2cc([C@H](C)[NH2+]CCCN(C)C(C)C)ccc2c1 ZINC000323550593 333388462 /nfs/dbraw/zinc/38/84/62/333388462.db2.gz GUEIGMFXZNRBEJ-INIZCTEOSA-N 1 3 314.473 4.229 20 0 DIADHO [NH3+]Cc1ccc(CN[C@H]2CCc3c2cc(Cl)cc3Cl)cc1 ZINC000563153595 333398044 /nfs/dbraw/zinc/39/80/44/333398044.db2.gz CDIWVQZRNIYWEL-KRWDZBQOSA-N 1 3 321.251 4.229 20 0 DIADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1cccc(C(F)(F)F)c1 ZINC000563153922 333398461 /nfs/dbraw/zinc/39/84/61/333398461.db2.gz KIVNKJKQGPAWQP-GFCCVEGCSA-N 1 3 308.347 4.015 20 0 DIADHO Cc1ccncc1[C@@H](C)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000271369329 334021675 /nfs/dbraw/zinc/02/16/75/334021675.db2.gz GJDHJYMHFZEKGV-QGZVFWFLSA-N 1 3 311.473 4.081 20 0 DIADHO Cc1ccncc1[C@@H](C)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000271369329 334021677 /nfs/dbraw/zinc/02/16/77/334021677.db2.gz GJDHJYMHFZEKGV-QGZVFWFLSA-N 1 3 311.473 4.081 20 0 DIADHO C[C@H](NCc1ccc(-c2cccc(F)c2)s1)[C@H]1CCC[NH2+]C1 ZINC000414849077 334121105 /nfs/dbraw/zinc/12/11/05/334121105.db2.gz HCXOPHDRKCKOFE-ZFWWWQNUSA-N 1 3 318.461 4.032 20 0 DIADHO Cc1ccnc([C@H](C)NC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000286204350 334151851 /nfs/dbraw/zinc/15/18/51/334151851.db2.gz RMBQVMUQNGXRSI-VIQWUECVSA-N 1 3 315.505 4.084 20 0 DIADHO C[C@@H]1CNCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000414960506 334211431 /nfs/dbraw/zinc/21/14/31/334211431.db2.gz QVZLPWMYQZMMQW-MLGOLLRUSA-N 1 3 320.889 4.156 20 0 DIADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1cccc(C2CC2)c1 ZINC000297398919 334241059 /nfs/dbraw/zinc/24/10/59/334241059.db2.gz KFFLBPPKLVMGIS-MRXNPFEDSA-N 1 3 321.468 4.279 20 0 DIADHO Cc1oc2ccccc2c1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000415059720 334262071 /nfs/dbraw/zinc/26/20/71/334262071.db2.gz VOUIMURZLZLXDF-LJQANCHMSA-N 1 3 308.425 4.311 20 0 DIADHO CCC[C@H](N[C@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000415098543 334281365 /nfs/dbraw/zinc/28/13/65/334281365.db2.gz FNTPDHFVJGPMMO-HOTGVXAUSA-N 1 3 314.395 4.278 20 0 DIADHO C[NH+](C)Cc1ccc(CN[C@H]2CCc3c2cccc3Cl)cc1 ZINC000531944355 334300169 /nfs/dbraw/zinc/30/01/69/334300169.db2.gz INICFVYQNLEHAW-IBGZPJMESA-N 1 3 314.860 4.179 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000531957756 334313999 /nfs/dbraw/zinc/31/39/99/334313999.db2.gz FDXDLQVMZOMESF-ICSRJNTNSA-N 1 3 300.490 4.238 20 0 DIADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](CC2CC2)c2ccccc2)C1 ZINC000531957756 334314001 /nfs/dbraw/zinc/31/40/01/334314001.db2.gz FDXDLQVMZOMESF-ICSRJNTNSA-N 1 3 300.490 4.238 20 0 DIADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](CC2CC2)c2ccccc2)C1 ZINC000531957756 334314002 /nfs/dbraw/zinc/31/40/02/334314002.db2.gz FDXDLQVMZOMESF-ICSRJNTNSA-N 1 3 300.490 4.238 20 0 DIADHO COc1ccccc1[C@H](C)NCCCCC[NH+]1CCCCC1 ZINC000531973134 334335599 /nfs/dbraw/zinc/33/55/99/334335599.db2.gz SWUBRDUAWOJGEC-KRWDZBQOSA-N 1 3 304.478 4.002 20 0 DIADHO CC(C)c1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000534908389 334345471 /nfs/dbraw/zinc/34/54/71/334345471.db2.gz JIMXKEDKEJMDNU-KKSFZXQISA-N 1 3 312.501 4.261 20 0 DIADHO CC(C)c1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000534908389 334345472 /nfs/dbraw/zinc/34/54/72/334345472.db2.gz JIMXKEDKEJMDNU-KKSFZXQISA-N 1 3 312.501 4.261 20 0 DIADHO c1ccc(C[N@@H+]2CCC3(C2)CCN([C@@H]2C=CCCC2)CC3)cc1 ZINC000534966843 334350814 /nfs/dbraw/zinc/35/08/14/334350814.db2.gz HATZKFQWOVTKSE-HXUWFJFHSA-N 1 3 310.485 4.083 20 0 DIADHO c1ccc(C[N@H+]2CCC3(C2)CCN([C@@H]2C=CCCC2)CC3)cc1 ZINC000534966843 334350816 /nfs/dbraw/zinc/35/08/16/334350816.db2.gz HATZKFQWOVTKSE-HXUWFJFHSA-N 1 3 310.485 4.083 20 0 DIADHO CCCOc1ccc([C@@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000531989563 334365153 /nfs/dbraw/zinc/36/51/53/334365153.db2.gz KAAFXZOKJUCAMP-QGZVFWFLSA-N 1 3 318.505 4.246 20 0 DIADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2cncc(C)c2)cc1 ZINC000343827283 335196009 /nfs/dbraw/zinc/19/60/09/335196009.db2.gz AKDRMSOAVUIREX-QGZVFWFLSA-N 1 3 311.473 4.083 20 0 DIADHO C[N@H+]1CC=C(CN[C@@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000344305733 335239151 /nfs/dbraw/zinc/23/91/51/335239151.db2.gz VUXDOOPDGGRGLV-MRXNPFEDSA-N 1 3 322.905 4.119 20 0 DIADHO C[N@@H+]1CC=C(CN[C@@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000344305733 335239153 /nfs/dbraw/zinc/23/91/53/335239153.db2.gz VUXDOOPDGGRGLV-MRXNPFEDSA-N 1 3 322.905 4.119 20 0 DIADHO Clc1ccc([C@H](CC2CC2)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000345682961 335341412 /nfs/dbraw/zinc/34/14/12/335341412.db2.gz NYAGBTZIDFBSLZ-KXBFYZLASA-N 1 3 318.892 4.255 20 0 DIADHO Clc1ccc([C@H](CC2CC2)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000345682961 335341414 /nfs/dbraw/zinc/34/14/14/335341414.db2.gz NYAGBTZIDFBSLZ-KXBFYZLASA-N 1 3 318.892 4.255 20 0 DIADHO CC[NH+](CC)CC1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000350185789 335733171 /nfs/dbraw/zinc/73/31/71/335733171.db2.gz XYCUZJAHOQDEKM-UHFFFAOYSA-N 1 3 318.436 4.126 20 0 DIADHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cccs1 ZINC000162913682 338503648 /nfs/dbraw/zinc/50/36/48/338503648.db2.gz OAASLZFVZAGINM-HNNXBMFYSA-N 1 3 300.471 4.195 20 0 DIADHO CC[N@H+](C)Cc1cccc(CNCc2ccc3occc3c2)c1 ZINC000352757965 336235285 /nfs/dbraw/zinc/23/52/85/336235285.db2.gz WPKREDLXIKVSHK-UHFFFAOYSA-N 1 3 308.425 4.174 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc3occc3c2)c1 ZINC000352757965 336235286 /nfs/dbraw/zinc/23/52/86/336235286.db2.gz WPKREDLXIKVSHK-UHFFFAOYSA-N 1 3 308.425 4.174 20 0 DIADHO CCC[N@H+](C)C[C@H]1CCN(c2c(C)c(C)nc3ccccc32)C1 ZINC000302057306 336345893 /nfs/dbraw/zinc/34/58/93/336345893.db2.gz BCKGXTHLLNWZJG-QGZVFWFLSA-N 1 3 311.473 4.020 20 0 DIADHO CCC[N@@H+](C)C[C@H]1CCN(c2c(C)c(C)nc3ccccc32)C1 ZINC000302057306 336345894 /nfs/dbraw/zinc/34/58/94/336345894.db2.gz BCKGXTHLLNWZJG-QGZVFWFLSA-N 1 3 311.473 4.020 20 0 DIADHO Cc1ccc2nccc(NC3CC[NH+](C4CCCC4)CC3)c2c1 ZINC000302150453 336351069 /nfs/dbraw/zinc/35/10/69/336351069.db2.gz KBLRQEDMAMMYQV-UHFFFAOYSA-N 1 3 309.457 4.362 20 0 DIADHO CC[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc(C)cc1 ZINC000357853038 336601601 /nfs/dbraw/zinc/60/16/01/336601601.db2.gz PEXIDUNKWGNSJY-OAQYLSRUSA-N 1 3 323.484 4.347 20 0 DIADHO CC1(C)CC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000395176863 337209005 /nfs/dbraw/zinc/20/90/05/337209005.db2.gz KLFZDWHHHLEMFS-SFHVURJKSA-N 1 3 300.490 4.067 20 0 DIADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CCc2ccc(Cl)s2)C1 ZINC000582991790 337223147 /nfs/dbraw/zinc/22/31/47/337223147.db2.gz FZSNVGUHWLNSJJ-KBPBESRZSA-N 1 3 314.926 4.043 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CCc2ccc(Cl)s2)C1 ZINC000582991792 337223171 /nfs/dbraw/zinc/22/31/71/337223171.db2.gz FZSNVGUHWLNSJJ-UONOGXRCSA-N 1 3 314.926 4.043 20 0 DIADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CCc2ccc(Cl)s2)C1 ZINC000582991791 337223220 /nfs/dbraw/zinc/22/32/20/337223220.db2.gz FZSNVGUHWLNSJJ-KGLIPLIRSA-N 1 3 314.926 4.043 20 0 DIADHO Cc1sccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398020089 337304555 /nfs/dbraw/zinc/30/45/55/337304555.db2.gz JPKFGJFMNGBCPS-BEFAXECRSA-N 1 3 314.498 4.057 20 0 DIADHO Cc1sccc1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398020089 337304556 /nfs/dbraw/zinc/30/45/56/337304556.db2.gz JPKFGJFMNGBCPS-BEFAXECRSA-N 1 3 314.498 4.057 20 0 DIADHO C[NH+](C)Cc1cccc(CN[C@H]2CC(C)(C)Cc3occc32)c1 ZINC000123631455 337400203 /nfs/dbraw/zinc/40/02/03/337400203.db2.gz AKEQSPJVJZWTMN-SFHVURJKSA-N 1 3 312.457 4.145 20 0 DIADHO C[C@@H]1CC[C@@H](NCc2cccc(C[NH+](C)C)c2)c2ccccc21 ZINC000123683186 337400390 /nfs/dbraw/zinc/40/03/90/337400390.db2.gz NWOZDNODOCNCAX-IIBYNOLFSA-N 1 3 308.469 4.476 20 0 DIADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000536819795 337603623 /nfs/dbraw/zinc/60/36/23/337603623.db2.gz GCTKSIMDMQCSDT-POAQFYNOSA-N 1 3 315.505 4.102 20 0 DIADHO Cc1ccc([C@H](C)[NH2+]CC2CCN(c3ccncc3)CC2)c(C)c1 ZINC000536826686 337604227 /nfs/dbraw/zinc/60/42/27/337604227.db2.gz LFYYDZYNZXREFI-SFHVURJKSA-N 1 3 323.484 4.266 20 0 DIADHO Cc1cc(C)cc([C@@H](C)[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000536826854 337604427 /nfs/dbraw/zinc/60/44/27/337604427.db2.gz MISPTNWDOIXRBQ-GOSISDBHSA-N 1 3 323.484 4.266 20 0 DIADHO C[C@H](NCCCCC[NH+]1CCCCC1)c1ccncc1Cl ZINC000421828444 337646966 /nfs/dbraw/zinc/64/69/66/337646966.db2.gz CSEXYAQGFUEJGZ-HNNXBMFYSA-N 1 3 309.885 4.042 20 0 DIADHO C[C@H](NC1CCC(C[NH3+])CC1)c1cc(Cl)ccc1Cl ZINC000422782090 337686378 /nfs/dbraw/zinc/68/63/78/337686378.db2.gz MSHJBSHNSSPDNU-ZBOXLXRLSA-N 1 3 301.261 4.162 20 0 DIADHO CC[C@@H](N[C@H](C)CCCC[NH3+])c1ccccc1Br ZINC000422893931 337690361 /nfs/dbraw/zinc/69/03/61/337690361.db2.gz RNXRLPTZPYXOIJ-IUODEOHRSA-N 1 3 313.283 4.007 20 0 DIADHO Clc1ccc([C@@H]2CCCCC[C@H]2[NH2+]C2CCNCC2)cc1 ZINC000423189764 337703007 /nfs/dbraw/zinc/70/30/07/337703007.db2.gz RMUKZJJBYWCFIV-ZWKOTPCHSA-N 1 3 306.881 4.098 20 0 DIADHO COc1cccc2cc([C@@H](C)NCc3ccc([C@H](C)[NH3+])cc3)oc21 ZINC000423292125 337710118 /nfs/dbraw/zinc/71/01/18/337710118.db2.gz LMMGURPUAQCYIH-UONOGXRCSA-N 1 3 324.424 4.312 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000423294775 337710692 /nfs/dbraw/zinc/71/06/92/337710692.db2.gz VJDHIHDNYUBDJK-KZULUSFZSA-N 1 3 300.833 4.137 20 0 DIADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccc(SC2CCCC2)cc1 ZINC000423337219 337712653 /nfs/dbraw/zinc/71/26/53/337712653.db2.gz HLSGGVVGRHARME-OAHLLOKOSA-N 1 3 316.514 4.292 20 0 DIADHO C[C@H](CCc1ccc(Cl)s1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423374173 337715180 /nfs/dbraw/zinc/71/51/80/337715180.db2.gz HYFXJNPGRFZJIE-GFCCVEGCSA-N 1 3 320.889 4.116 20 0 DIADHO [NH3+][C@@H]1CCC[C@H](N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000423384357 337717852 /nfs/dbraw/zinc/71/78/52/337717852.db2.gz LBPZXAHMTYZIJC-OWCLPIDISA-N 1 3 312.379 4.016 20 0 DIADHO CC(C)[C@H]1C[C@H](NCc2ccc3c(c2)C[NH2+]C3)c2ccccc21 ZINC000423392359 337718307 /nfs/dbraw/zinc/71/83/07/337718307.db2.gz QBCPWVCCRUYYLO-RTWAWAEBSA-N 1 3 306.453 4.264 20 0 DIADHO C[C@@H](CCC[NH3+])N[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000423453965 337720287 /nfs/dbraw/zinc/72/02/87/337720287.db2.gz LDJLMFDRBHKLDK-SCLBCKFNSA-N 1 3 320.839 4.286 20 0 DIADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000423496470 337722921 /nfs/dbraw/zinc/72/29/21/337722921.db2.gz DYXQWSBLQYLDBN-PXAZEXFGSA-N 1 3 322.374 4.235 20 0 DIADHO CCOc1ccccc1[C@H](C)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423497246 337722991 /nfs/dbraw/zinc/72/29/91/337722991.db2.gz GHAKXULTJFTWHK-LPHOPBHVSA-N 1 3 312.457 4.216 20 0 DIADHO CC[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000423497716 337723273 /nfs/dbraw/zinc/72/32/73/337723273.db2.gz HIJVTTXKTKJRJN-OALUTQOASA-N 1 3 300.421 4.347 20 0 DIADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1cccc(Cl)c1 ZINC000423512465 337723984 /nfs/dbraw/zinc/72/39/84/337723984.db2.gz UQIDASZYDMFCGP-KBXCAEBGSA-N 1 3 302.849 4.471 20 0 DIADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(Cl)cc1 ZINC000423518040 337724339 /nfs/dbraw/zinc/72/43/39/337724339.db2.gz ZBJASRKLQVGJSG-KDOFPFPSSA-N 1 3 302.849 4.471 20 0 DIADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1cc(Cl)sc1Cl ZINC000423551719 337725475 /nfs/dbraw/zinc/72/54/75/337725475.db2.gz JKCMKJJRIINUNK-SECBINFHSA-N 1 3 305.274 4.015 20 0 DIADHO Cc1cc(CNCc2ccc(C[NH+]3CCCCCC3)cc2)ccn1 ZINC000527647409 337754238 /nfs/dbraw/zinc/75/42/38/337754238.db2.gz FUJYABJLVFQWGI-UHFFFAOYSA-N 1 3 323.484 4.056 20 0 DIADHO CC[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1cccs1 ZINC000089215720 337867490 /nfs/dbraw/zinc/86/74/90/337867490.db2.gz SNAXXZWEGWOPLL-QGZVFWFLSA-N 1 3 315.486 4.100 20 0 DIADHO CCCCCOc1ccc(CNCc2ccc(C[NH3+])cc2)cc1 ZINC000516181742 338006077 /nfs/dbraw/zinc/00/60/77/338006077.db2.gz UPLYROHSCJKBOJ-UHFFFAOYSA-N 1 3 312.457 4.004 20 0 DIADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@H]3CCC(F)(F)C3)CC2)C1 ZINC000430750212 338113442 /nfs/dbraw/zinc/11/34/42/338113442.db2.gz MXZHSPMMBOAETE-HLLBOEOZSA-N 1 3 314.464 4.055 20 0 DIADHO CCC[N@H+](C)C[C@H]1CCN([C@@H](C)CCSc2ccccc2)C1 ZINC000431609979 338134736 /nfs/dbraw/zinc/13/47/36/338134736.db2.gz PGJUNPAIDJMSQL-ZWKOTPCHSA-N 1 3 320.546 4.221 20 0 DIADHO CCC[N@@H+](C)C[C@H]1CCN([C@@H](C)CCSc2ccccc2)C1 ZINC000431609979 338134737 /nfs/dbraw/zinc/13/47/37/338134737.db2.gz PGJUNPAIDJMSQL-ZWKOTPCHSA-N 1 3 320.546 4.221 20 0 DIADHO CCCN(C)C[C@H]1CC[N@@H+]([C@@H](C)CCSc2ccccc2)C1 ZINC000431609979 338134738 /nfs/dbraw/zinc/13/47/38/338134738.db2.gz PGJUNPAIDJMSQL-ZWKOTPCHSA-N 1 3 320.546 4.221 20 0 DIADHO CCCN(C)C[C@H]1CC[N@H+]([C@@H](C)CCSc2ccccc2)C1 ZINC000431609979 338134739 /nfs/dbraw/zinc/13/47/39/338134739.db2.gz PGJUNPAIDJMSQL-ZWKOTPCHSA-N 1 3 320.546 4.221 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000436232943 338262739 /nfs/dbraw/zinc/26/27/39/338262739.db2.gz QLPYIFJPWRNFGN-RLLQIKCJSA-N 1 3 300.490 4.033 20 0 DIADHO CC(C)CCO[C@@H]1CCCC[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000436297656 338267301 /nfs/dbraw/zinc/26/73/01/338267301.db2.gz NLZLTMGGCWLNQC-RTBURBONSA-N 1 3 324.553 4.213 20 0 DIADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000436312122 338268596 /nfs/dbraw/zinc/26/85/96/338268596.db2.gz JRERLDIJFHQYLA-HMXCVIKNSA-N 1 3 314.517 4.280 20 0 DIADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)c1ccc(F)cc1 ZINC000437778913 338320995 /nfs/dbraw/zinc/32/09/95/338320995.db2.gz BGCHNJXCMDCXOK-RYRKJORJSA-N 1 3 318.480 4.172 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000438198215 338336239 /nfs/dbraw/zinc/33/62/39/338336239.db2.gz GQOOFBYDMIBZDL-NRSPTQNISA-N 1 3 314.517 4.207 20 0 DIADHO CC[NH+](CC)CCC[C@@H](C)NCc1ncc(C(C)(C)C)s1 ZINC000447939774 338572083 /nfs/dbraw/zinc/57/20/83/338572083.db2.gz GSMPAMFRVMUHRY-CQSZACIVSA-N 1 3 311.539 4.041 20 0 DIADHO CC[C@@](C)(CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)OC ZINC000449477828 338628798 /nfs/dbraw/zinc/62/87/98/338628798.db2.gz PZODSXUOLZIODD-IBGZPJMESA-N 1 3 312.542 4.070 20 0 DIADHO CC[C@H](NCc1cccc(C[NH+](CC)CC)c1)c1ccncc1 ZINC000453066902 338789655 /nfs/dbraw/zinc/78/96/55/338789655.db2.gz REAYHXFQBAOVKY-FQEVSTJZSA-N 1 3 311.473 4.164 20 0 DIADHO CC[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccncc1 ZINC000453087263 338792300 /nfs/dbraw/zinc/79/23/00/338792300.db2.gz NLOOGFUAYUAYIG-NRFANRHFSA-N 1 3 323.484 4.308 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459409647 339027495 /nfs/dbraw/zinc/02/74/95/339027495.db2.gz RJTYXRZZCCSJNG-FQEVSTJZSA-N 1 3 323.484 4.051 20 0 DIADHO C[C@@H]1[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000463561297 339121371 /nfs/dbraw/zinc/12/13/71/339121371.db2.gz ZNQHGGFBGNRBKT-JCGIZDLHSA-N 1 3 300.490 4.077 20 0 DIADHO C[C@@H]1[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000463561297 339121372 /nfs/dbraw/zinc/12/13/72/339121372.db2.gz ZNQHGGFBGNRBKT-JCGIZDLHSA-N 1 3 300.490 4.077 20 0 DIADHO CC[NH+](CC)C[C@H]1CCN(CCCc2cccc3ccccc32)C1 ZINC000464771288 339152279 /nfs/dbraw/zinc/15/22/79/339152279.db2.gz CTTJQIKFMHIRSN-LJQANCHMSA-N 1 3 324.512 4.436 20 0 DIADHO CCN(CC)C[C@H]1CC[N@H+](CCCc2cccc3ccccc32)C1 ZINC000464771288 339152280 /nfs/dbraw/zinc/15/22/80/339152280.db2.gz CTTJQIKFMHIRSN-LJQANCHMSA-N 1 3 324.512 4.436 20 0 DIADHO CCN(CC)C[C@H]1CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000464771288 339152281 /nfs/dbraw/zinc/15/22/81/339152281.db2.gz CTTJQIKFMHIRSN-LJQANCHMSA-N 1 3 324.512 4.436 20 0 DIADHO C[C@H](CCc1ccccc1F)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000468511929 339264999 /nfs/dbraw/zinc/26/49/99/339264999.db2.gz PUKGQNGGUOOGTM-CQSZACIVSA-N 1 3 306.469 4.046 20 0 DIADHO C[C@H](CCc1ccccc1F)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000468511929 339265000 /nfs/dbraw/zinc/26/50/00/339265000.db2.gz PUKGQNGGUOOGTM-CQSZACIVSA-N 1 3 306.469 4.046 20 0 DIADHO CCCN(C)C[C@H]1CC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000471024746 339334831 /nfs/dbraw/zinc/33/48/31/339334831.db2.gz DBROTVVJUVITHF-QGZVFWFLSA-N 1 3 320.480 4.420 20 0 DIADHO CCCN(C)C[C@H]1CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000471024746 339334832 /nfs/dbraw/zinc/33/48/32/339334832.db2.gz DBROTVVJUVITHF-QGZVFWFLSA-N 1 3 320.480 4.420 20 0 DIADHO COc1ccsc1[C@@H](C)NCC1CC[NH+](CCC(C)C)CC1 ZINC000471607379 339349400 /nfs/dbraw/zinc/34/94/00/339349400.db2.gz YZPWIYKNGRHGGT-OAHLLOKOSA-N 1 3 324.534 4.165 20 0 DIADHO COc1ccsc1[C@H](C)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000472157899 339364684 /nfs/dbraw/zinc/36/46/84/339364684.db2.gz NHVVGNDJBTUYFD-GJZGRUSLSA-N 1 3 310.507 4.062 20 0 DIADHO COc1ccsc1[C@H](C)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000472157899 339364685 /nfs/dbraw/zinc/36/46/85/339364685.db2.gz NHVVGNDJBTUYFD-GJZGRUSLSA-N 1 3 310.507 4.062 20 0 DIADHO COc1ccsc1[C@H](C)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000472160333 339364832 /nfs/dbraw/zinc/36/48/32/339364832.db2.gz QQXDWQPRLOARCH-XHSDSOJGSA-N 1 3 324.534 4.165 20 0 DIADHO COc1ccsc1[C@H](C)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000472160333 339364833 /nfs/dbraw/zinc/36/48/33/339364833.db2.gz QQXDWQPRLOARCH-XHSDSOJGSA-N 1 3 324.534 4.165 20 0 DIADHO COc1ccsc1[C@H](C)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000472160323 339364850 /nfs/dbraw/zinc/36/48/50/339364850.db2.gz QQXDWQPRLOARCH-JYJNAYRXSA-N 1 3 324.534 4.165 20 0 DIADHO COc1ccsc1[C@@H](C)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000472160331 339364875 /nfs/dbraw/zinc/36/48/75/339364875.db2.gz QQXDWQPRLOARCH-OWCLPIDISA-N 1 3 324.534 4.165 20 0 DIADHO COc1ccsc1[C@@H](C)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000472160331 339364876 /nfs/dbraw/zinc/36/48/76/339364876.db2.gz QQXDWQPRLOARCH-OWCLPIDISA-N 1 3 324.534 4.165 20 0 DIADHO CCN1CC[C@@H]([N@H+](C)Cc2cc3c(ccc(C)c3C)[nH]2)C[C@@H]1C ZINC000473149862 339383062 /nfs/dbraw/zinc/38/30/62/339383062.db2.gz YJWOYDZULYEXMK-MAUKXSAKSA-N 1 3 313.489 4.089 20 0 DIADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc3c(ccc(C)c3C)[nH]2)C[C@@H]1C ZINC000473149862 339383063 /nfs/dbraw/zinc/38/30/63/339383063.db2.gz YJWOYDZULYEXMK-MAUKXSAKSA-N 1 3 313.489 4.089 20 0 DIADHO C[C@H]([NH2+]CCCN1CCCC[C@H]1C)C1CCC(F)(F)CC1 ZINC000474029955 339397710 /nfs/dbraw/zinc/39/77/10/339397710.db2.gz GRDJHMIQEXYLDF-CABCVRRESA-N 1 3 302.453 4.055 20 0 DIADHO Cc1ccc2c(c1)[C@H](NCc1ccc(C[NH+]3CCCC3)cc1)CC2 ZINC000480173470 339562014 /nfs/dbraw/zinc/56/20/14/339562014.db2.gz ZDKCAHJIVKSIGY-JOCHJYFZSA-N 1 3 320.480 4.368 20 0 DIADHO CC[NH+]1CCC(CCN[C@H](C)c2cc3ccccc3o2)CC1 ZINC000483707995 339672114 /nfs/dbraw/zinc/67/21/14/339672114.db2.gz CFLHUJNNMGLGEJ-OAHLLOKOSA-N 1 3 300.446 4.205 20 0 DIADHO CN1CCC[C@H]1CC[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000502692503 340110823 /nfs/dbraw/zinc/11/08/23/340110823.db2.gz OTIJELJRDBRRKZ-HNNXBMFYSA-N 1 3 314.395 4.014 20 0 DIADHO CCc1ccc([C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C(C)C)cc1 ZINC000506127770 340186458 /nfs/dbraw/zinc/18/64/58/340186458.db2.gz TYVNRGSLTHIOIL-VAMGGRTRSA-N 1 3 300.490 4.163 20 0 DIADHO CCc1ccc([C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C(C)C)cc1 ZINC000506127770 340186459 /nfs/dbraw/zinc/18/64/59/340186459.db2.gz TYVNRGSLTHIOIL-VAMGGRTRSA-N 1 3 300.490 4.163 20 0 DIADHO CC[C@H](C[NH+]1CCC(N2CCCCC2)CC1)c1ccccc1 ZINC000506368689 340193474 /nfs/dbraw/zinc/19/34/74/340193474.db2.gz JIRVRARWPBYANW-GOSISDBHSA-N 1 3 300.490 4.131 20 0 DIADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000507418437 340218760 /nfs/dbraw/zinc/21/87/60/340218760.db2.gz FHGORHWJENJCMV-ZDUSSCGKSA-N 1 3 320.864 4.469 20 0 DIADHO CCc1cccnc1[C@H](C)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000507485111 340222138 /nfs/dbraw/zinc/22/21/38/340222138.db2.gz KTMCVRVDJRUNTM-BZSNNMDCSA-N 1 3 317.521 4.053 20 0 DIADHO CCc1cccnc1[C@H](C)NCC1CC[NH+](CCC(C)C)CC1 ZINC000507505074 340223059 /nfs/dbraw/zinc/22/30/59/340223059.db2.gz DMUIFLNKSPIGQF-KRWDZBQOSA-N 1 3 317.521 4.053 20 0 DIADHO CC(C)C[NH+]1CCC(NC2CC(c3ccccc3Cl)C2)CC1 ZINC000509825912 340280570 /nfs/dbraw/zinc/28/05/70/340280570.db2.gz HYQMNWRGRVUGIO-UHFFFAOYSA-N 1 3 320.908 4.296 20 0 DIADHO CCCN1CCC([N@H+](C)Cc2ccc(-c3ccccc3)o2)CC1 ZINC000510467853 340300352 /nfs/dbraw/zinc/30/03/52/340300352.db2.gz SXCNUBZVHCPCQT-UHFFFAOYSA-N 1 3 312.457 4.253 20 0 DIADHO CCCN1CCC([N@@H+](C)Cc2ccc(-c3ccccc3)o2)CC1 ZINC000510467853 340300353 /nfs/dbraw/zinc/30/03/53/340300353.db2.gz SXCNUBZVHCPCQT-UHFFFAOYSA-N 1 3 312.457 4.253 20 0 DIADHO c1csc(CN2CCC(C[NH2+][C@H]3CC[C@@H]3C3CCC3)CC2)c1 ZINC000510717582 340307829 /nfs/dbraw/zinc/30/78/29/340307829.db2.gz IEPZCNDEPFOQDL-MOPGFXCFSA-N 1 3 318.530 4.128 20 0 DIADHO c1csc(CN2CCC(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)CC2)c1 ZINC000510717604 340307907 /nfs/dbraw/zinc/30/79/07/340307907.db2.gz IEPZCNDEPFOQDL-RTBURBONSA-N 1 3 318.530 4.128 20 0 DIADHO c1csc(CN2CCC(C[NH2+][C@H]3CC[C@H]3C3CCC3)CC2)c1 ZINC000510717596 340307910 /nfs/dbraw/zinc/30/79/10/340307910.db2.gz IEPZCNDEPFOQDL-OALUTQOASA-N 1 3 318.530 4.128 20 0 DIADHO Clc1ccccc1C1CC(N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000510807733 340311646 /nfs/dbraw/zinc/31/16/46/340311646.db2.gz BYAUDKLSCRJYHG-HWOWSKLDSA-N 1 3 318.892 4.193 20 0 DIADHO Clc1ccccc1C1CC(N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000510807733 340311647 /nfs/dbraw/zinc/31/16/47/340311647.db2.gz BYAUDKLSCRJYHG-HWOWSKLDSA-N 1 3 318.892 4.193 20 0 DIADHO COCC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1)C(C)(C)C ZINC000510979677 340316978 /nfs/dbraw/zinc/31/69/78/340316978.db2.gz PGKJKLOMFYTNNW-WDSOQIARSA-N 1 3 324.553 4.070 20 0 DIADHO CC(C)[NH+]1CCC(N(C)CCc2ccc3ccccc3c2)CC1 ZINC000511615436 340332582 /nfs/dbraw/zinc/33/25/82/340332582.db2.gz HCVNCBPRWJBGNI-UHFFFAOYSA-N 1 3 310.485 4.187 20 0 DIADHO Cc1ccsc1[C@H](C)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512313506 340356551 /nfs/dbraw/zinc/35/65/51/340356551.db2.gz JSLBNMJFEKYFDP-PMPSAXMXSA-N 1 3 306.519 4.360 20 0 DIADHO Cc1ccsc1[C@H](C)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512313506 340356552 /nfs/dbraw/zinc/35/65/52/340356552.db2.gz JSLBNMJFEKYFDP-PMPSAXMXSA-N 1 3 306.519 4.360 20 0 DIADHO Cc1ccsc1[C@H](C)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000512313506 340356553 /nfs/dbraw/zinc/35/65/53/340356553.db2.gz JSLBNMJFEKYFDP-PMPSAXMXSA-N 1 3 306.519 4.360 20 0 DIADHO Cc1ccc2c(c1)[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C3CCC3)C1)CC2 ZINC000512317532 340356687 /nfs/dbraw/zinc/35/66/87/340356687.db2.gz CPZPGAMVEBNJFP-YRISNDGFSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1ccc2c(c1)[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)CC2 ZINC000512317532 340356688 /nfs/dbraw/zinc/35/66/88/340356688.db2.gz CPZPGAMVEBNJFP-YRISNDGFSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C3CCC3)C1)CC2 ZINC000512317532 340356689 /nfs/dbraw/zinc/35/66/89/340356689.db2.gz CPZPGAMVEBNJFP-YRISNDGFSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1cccc([C@@H](C)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000173899535 340377181 /nfs/dbraw/zinc/37/71/81/340377181.db2.gz GFHNPNOUSROCFH-GOSISDBHSA-N 1 3 308.469 4.442 20 0 DIADHO CCC[N@@H+]1CC[C@H](CNC/C(C)=C\c2ccc(Cl)cc2)C1 ZINC000513003895 340387804 /nfs/dbraw/zinc/38/78/04/340387804.db2.gz LLVOUCVJOJJARX-JBXOJTMHSA-N 1 3 306.881 4.065 20 0 DIADHO CCC[N@H+]1CC[C@H](CNC/C(C)=C\c2ccc(Cl)cc2)C1 ZINC000513003895 340387805 /nfs/dbraw/zinc/38/78/05/340387805.db2.gz LLVOUCVJOJJARX-JBXOJTMHSA-N 1 3 306.881 4.065 20 0 DIADHO CC[NH+]1CCC(CN[C@@H](C)c2cc(Cl)sc2Cl)CC1 ZINC000223196331 340544088 /nfs/dbraw/zinc/54/40/88/340544088.db2.gz FFNOPXHOROYKSE-JTQLQIEISA-N 1 3 321.317 4.437 20 0 DIADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1cc(Cl)sc1Cl ZINC000227498495 340599620 /nfs/dbraw/zinc/59/96/20/340599620.db2.gz GHAICWSWYCZCFU-SNVBAGLBSA-N 1 3 321.317 4.437 20 0 DIADHO Cc1ccc(C)c([C@@H](C)[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000537937271 340791749 /nfs/dbraw/zinc/79/17/49/340791749.db2.gz DPQKMYZADAOVNO-GOSISDBHSA-N 1 3 323.484 4.266 20 0 DIADHO CC[NH+](CC)CCC[C@@H](C)NCc1cccc(Cl)c1F ZINC000125060147 340802131 /nfs/dbraw/zinc/80/21/31/340802131.db2.gz UNEWGKSPWALVKC-CYBMUJFWSA-N 1 3 300.849 4.079 20 0 DIADHO CC[NH+](CC)CCC[C@@H](C)NCc1cc(Cl)ccc1F ZINC000125069837 340802157 /nfs/dbraw/zinc/80/21/57/340802157.db2.gz SSJNPPZADZSNIB-CYBMUJFWSA-N 1 3 300.849 4.079 20 0 DIADHO C[C@@H]([NH2+]CC1CCN(Cc2cccs2)CC1)C1CCCC1 ZINC000125516959 340804665 /nfs/dbraw/zinc/80/46/65/340804665.db2.gz NDDWARHKXRGIBR-OAHLLOKOSA-N 1 3 306.519 4.128 20 0 DIADHO C[C@H](c1cccc2ccccc21)[NH+]1CCC2(CCCN2C)CC1 ZINC000542268512 341002789 /nfs/dbraw/zinc/00/27/89/341002789.db2.gz STXZDXNHTQGQEA-QGZVFWFLSA-N 1 3 308.469 4.461 20 0 DIADHO C[C@H](NCCC1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000130617573 341032957 /nfs/dbraw/zinc/03/29/57/341032957.db2.gz UJSDBRWJFPGXOD-LBPRGKRZSA-N 1 3 315.288 4.376 20 0 DIADHO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C1CCN(CC(C)C)CC1 ZINC000131173731 341063698 /nfs/dbraw/zinc/06/36/98/341063698.db2.gz OCCUKQZSTPHAQG-CQSZACIVSA-N 1 3 323.550 4.346 20 0 DIADHO CC(C)C[NH+]1CCC(N[C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000544039459 341067556 /nfs/dbraw/zinc/06/75/56/341067556.db2.gz PSHQRFMUVGNYEV-WOJBJXKFSA-N 1 3 314.517 4.279 20 0 DIADHO Cc1ccc(CCC[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)cc1 ZINC000544423945 341081657 /nfs/dbraw/zinc/08/16/57/341081657.db2.gz IMTPTRXIUBIGIT-ICSRJNTNSA-N 1 3 314.517 4.170 20 0 DIADHO C[C@H]1C[C@H]1c1ccc(CNCCCC[NH+]2CCC(C)CC2)o1 ZINC000236842967 341203009 /nfs/dbraw/zinc/20/30/09/341203009.db2.gz FKXLQWPJNWSUFR-FUHWJXTLSA-N 1 3 304.478 4.005 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000564319774 341211219 /nfs/dbraw/zinc/21/12/19/341211219.db2.gz YUTARVFEIUWENL-SUMDDJOVSA-N 1 3 320.908 4.296 20 0 DIADHO C[C@H](CCNCc1cccc2[nH]ccc21)[N@H+](C)Cc1ccccc1 ZINC000237464914 341214505 /nfs/dbraw/zinc/21/45/05/341214505.db2.gz VNNWPTUOBPVMEZ-QGZVFWFLSA-N 1 3 321.468 4.168 20 0 DIADHO C[C@H](CCNCc1cccc2[nH]ccc21)[N@@H+](C)Cc1ccccc1 ZINC000237464914 341214506 /nfs/dbraw/zinc/21/45/06/341214506.db2.gz VNNWPTUOBPVMEZ-QGZVFWFLSA-N 1 3 321.468 4.168 20 0 DIADHO Cc1c2cccc(Cl)c2sc1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000550144780 341311081 /nfs/dbraw/zinc/31/10/81/341311081.db2.gz WVCSZMRJJGMJNY-CYBMUJFWSA-N 1 3 322.905 4.295 20 0 DIADHO Cc1c2cccc(Cl)c2sc1CNC[C@H]1CCC[N@H+](C)C1 ZINC000550144780 341311082 /nfs/dbraw/zinc/31/10/82/341311082.db2.gz WVCSZMRJJGMJNY-CYBMUJFWSA-N 1 3 322.905 4.295 20 0 DIADHO CCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551010304 341329160 /nfs/dbraw/zinc/32/91/60/341329160.db2.gz ZRXOXWKIQNTPGD-TZIWHRDSSA-N 1 3 324.468 4.010 20 0 DIADHO CCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551010304 341329161 /nfs/dbraw/zinc/32/91/61/341329161.db2.gz ZRXOXWKIQNTPGD-TZIWHRDSSA-N 1 3 324.468 4.010 20 0 DIADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(C2CC2)c1 ZINC000551063523 341330754 /nfs/dbraw/zinc/33/07/54/341330754.db2.gz SMDVDMXKVPONKO-HNNXBMFYSA-N 1 3 300.490 4.478 20 0 DIADHO Cc1ccccc1C[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)C1CC1 ZINC000551530967 341344112 /nfs/dbraw/zinc/34/41/12/341344112.db2.gz ZNNFGKAWXFVOSO-RXVVDRJESA-N 1 3 314.517 4.026 20 0 DIADHO Cc1ccccc1C[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)C1CC1 ZINC000551530968 341344158 /nfs/dbraw/zinc/34/41/58/341344158.db2.gz ZNNFGKAWXFVOSO-WIYYLYMNSA-N 1 3 314.517 4.026 20 0 DIADHO CC(C)Oc1ccc([C@@H](C)[NH2+]CCCN2CCCC2)cc1Cl ZINC000551790878 341351847 /nfs/dbraw/zinc/35/18/47/341351847.db2.gz JBAPGTPDZPSZFN-OAHLLOKOSA-N 1 3 324.896 4.264 20 0 DIADHO CSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1F ZINC000246975129 341359288 /nfs/dbraw/zinc/35/92/88/341359288.db2.gz JRZIHEWPSXLLLB-CABCVRRESA-N 1 3 324.509 4.319 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2cnc3ccsc3c2)C1 ZINC000247149028 341361496 /nfs/dbraw/zinc/36/14/96/341361496.db2.gz WXABMYMWGHVBJY-CABCVRRESA-N 1 3 317.502 4.067 20 0 DIADHO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000247162411 341361745 /nfs/dbraw/zinc/36/17/45/341361745.db2.gz XXWWKGDVZVAVQQ-QZTJIDSGSA-N 1 3 318.505 4.245 20 0 DIADHO Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000248406672 341376752 /nfs/dbraw/zinc/37/67/52/341376752.db2.gz SSZSCNQWGPROOU-JYJNAYRXSA-N 1 3 306.519 4.360 20 0 DIADHO Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000248406672 341376753 /nfs/dbraw/zinc/37/67/53/341376753.db2.gz SSZSCNQWGPROOU-JYJNAYRXSA-N 1 3 306.519 4.360 20 0 DIADHO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)s1 ZINC000248406672 341376754 /nfs/dbraw/zinc/37/67/54/341376754.db2.gz SSZSCNQWGPROOU-JYJNAYRXSA-N 1 3 306.519 4.360 20 0 DIADHO Cc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000248408539 341376894 /nfs/dbraw/zinc/37/68/94/341376894.db2.gz VPHBYAIICHPPAD-SCTDSRPQSA-N 1 3 300.490 4.299 20 0 DIADHO C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)[C@H]1CCCN(C2CCC2)C1 ZINC000248409010 341377035 /nfs/dbraw/zinc/37/70/35/341377035.db2.gz WDEBHFPJDZCJIY-UVFQYZLESA-N 1 3 316.464 4.056 20 0 DIADHO CC(C)Cc1cccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000552224342 341379471 /nfs/dbraw/zinc/37/94/71/341379471.db2.gz UGLJKCMMPNZHFQ-WMZOPIPTSA-N 1 3 300.490 4.020 20 0 DIADHO CC(C)Cc1cccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000552224342 341379472 /nfs/dbraw/zinc/37/94/72/341379472.db2.gz UGLJKCMMPNZHFQ-WMZOPIPTSA-N 1 3 300.490 4.020 20 0 DIADHO Cc1c([C@H](C)NCCCC[N@@H+]2CCCC[C@H]2C)cnn1C(C)C ZINC000248688238 341384324 /nfs/dbraw/zinc/38/43/24/341384324.db2.gz IDALMEHOLUUFND-SJORKVTESA-N 1 3 320.525 4.078 20 0 DIADHO Cc1c([C@H](C)NCCCC[N@H+]2CCCC[C@H]2C)cnn1C(C)C ZINC000248688238 341384325 /nfs/dbraw/zinc/38/43/25/341384325.db2.gz IDALMEHOLUUFND-SJORKVTESA-N 1 3 320.525 4.078 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000566092563 341547440 /nfs/dbraw/zinc/54/74/40/341547440.db2.gz VZFZHYYTJQCXBZ-XJFOESAGSA-N 1 3 314.395 4.057 20 0 DIADHO CCCCOc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2)cc1 ZINC000573445154 341728718 /nfs/dbraw/zinc/72/87/18/341728718.db2.gz QPNYHTPNTOUFEL-INIZCTEOSA-N 1 3 312.457 4.175 20 0 DIADHO CC(C)c1cccc2c1OCCC[C@@H]2NCc1ccc(C[NH3+])cc1 ZINC000576943526 341871136 /nfs/dbraw/zinc/87/11/36/341871136.db2.gz MAXHWRVUQWXSGY-FQEVSTJZSA-N 1 3 324.468 4.272 20 0 DIADHO C[C@@H](N)C[C@H](C)[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC000580564279 341879614 /nfs/dbraw/zinc/87/96/14/341879614.db2.gz QQFMZDWCXGQFOB-NEPJUHHUSA-N 1 3 303.277 4.032 20 0 DIADHO CCc1nc(C)c([C@H](C)NCCCC[NH+]2CCC(C)CC2)s1 ZINC000158160686 522232686 /nfs/dbraw/zinc/23/26/86/522232686.db2.gz CGVPJGVVOZWVIP-HNNXBMFYSA-N 1 3 323.550 4.177 20 0 DIADHO COc1ccc([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000162934806 525324455 /nfs/dbraw/zinc/32/44/55/525324455.db2.gz KFPYWVBMAIIPPP-KRWDZBQOSA-N 1 3 324.468 4.142 20 0 DIADHO C[C@@H](NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cccnc1 ZINC000264898271 525520543 /nfs/dbraw/zinc/52/05/43/525520543.db2.gz VGCXFVPZZFQMLI-ZWKOTPCHSA-N 1 3 323.484 4.307 20 0 DIADHO C[C@@H](NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cccnc1 ZINC000264898271 525520546 /nfs/dbraw/zinc/52/05/46/525520546.db2.gz VGCXFVPZZFQMLI-ZWKOTPCHSA-N 1 3 323.484 4.307 20 0 DIADHO CCN([C@H]1CCOC1)C1CC[NH+](CC[C@@H](C)CC(C)(C)C)CC1 ZINC001208663900 1035787449 /nfs/dbraw/zinc/78/74/49/1035787449.db2.gz JQMPAFQSOQJMIC-MJGOQNOKSA-N 1 3 324.553 4.024 20 0 DIADHO CCCCN1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000037150131 1035953728 /nfs/dbraw/zinc/95/37/28/1035953728.db2.gz VVVGZPAQGOYLQM-QGZVFWFLSA-N 1 3 304.503 4.078 20 0 DIADHO c1ccc2c(c1)-c1ccccc1C2N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000324627461 1036427145 /nfs/dbraw/zinc/42/71/45/1036427145.db2.gz PSOPVDBIFBAKOW-HRAATJIYSA-N 1 3 318.464 4.220 20 0 DIADHO Cc1ccsc1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379618893 1037044593 /nfs/dbraw/zinc/04/45/93/1037044593.db2.gz AVRPZFCLBXNNJN-WMZOPIPTSA-N 1 3 314.498 4.199 20 0 DIADHO Cc1ccsc1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379618893 1037044610 /nfs/dbraw/zinc/04/46/10/1037044610.db2.gz AVRPZFCLBXNNJN-WMZOPIPTSA-N 1 3 314.498 4.199 20 0 DIADHO Cc1ccsc1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379618890 1037045936 /nfs/dbraw/zinc/04/59/36/1037045936.db2.gz AVRPZFCLBXNNJN-FUHWJXTLSA-N 1 3 314.498 4.199 20 0 DIADHO Cc1ccsc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379618890 1037045948 /nfs/dbraw/zinc/04/59/48/1037045948.db2.gz AVRPZFCLBXNNJN-FUHWJXTLSA-N 1 3 314.498 4.199 20 0 DIADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCc3c2cccc3Cl)cc1 ZINC000564821985 1037087105 /nfs/dbraw/zinc/08/71/05/1037087105.db2.gz AKAPHYPAVJWBLS-SGTLLEGYSA-N 1 3 300.833 4.137 20 0 DIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2cc3ccccc3[nH]2)c1 ZINC000683927471 1037112878 /nfs/dbraw/zinc/11/28/78/1037112878.db2.gz WRGZJDQADSAHOF-UHFFFAOYSA-N 1 3 321.468 4.298 20 0 DIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cc3ccccc3[nH]2)c1 ZINC000683927471 1037112885 /nfs/dbraw/zinc/11/28/85/1037112885.db2.gz WRGZJDQADSAHOF-UHFFFAOYSA-N 1 3 321.468 4.298 20 0 DIADHO CC[NH+](CC)Cc1ccc(CNCc2cc3ccccc3[nH]2)cc1 ZINC000683928302 1037116901 /nfs/dbraw/zinc/11/69/01/1037116901.db2.gz ZXBZDOBEQDUEER-UHFFFAOYSA-N 1 3 321.468 4.300 20 0 DIADHO C[C@@H]([NH2+]CC1(N)CCCCC1)c1cccc(-c2ccncc2)c1 ZINC000581800455 1037999491 /nfs/dbraw/zinc/99/94/91/1037999491.db2.gz LVUMCNMDSCGONR-MRXNPFEDSA-N 1 3 309.457 4.061 20 0 DIADHO CCOc1ccccc1[C@H](CC)[NH2+]CC[C@H]1CCCCN1C ZINC000341662857 1038213608 /nfs/dbraw/zinc/21/36/08/1038213608.db2.gz VYJLFAPHTYFCLL-AEFFLSMTSA-N 1 3 304.478 4.000 20 0 DIADHO CC(C)(C)N1CCC([NH2+]Cc2cc3ccccc3s2)CC1 ZINC000131290925 1038228373 /nfs/dbraw/zinc/22/83/73/1038228373.db2.gz ZFSBUAXRSMHQDV-UHFFFAOYSA-N 1 3 302.487 4.254 20 0 DIADHO CCCC[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccc(OC)cc1 ZINC000341796740 1038270444 /nfs/dbraw/zinc/27/04/44/1038270444.db2.gz JEKXZKZYGLUGAL-PKOBYXMFSA-N 1 3 304.478 4.000 20 0 DIADHO CCCC[C@@H](NCC[C@@H]1CCC[N@H+]1C)c1ccc(OC)cc1 ZINC000341796740 1038270448 /nfs/dbraw/zinc/27/04/48/1038270448.db2.gz JEKXZKZYGLUGAL-PKOBYXMFSA-N 1 3 304.478 4.000 20 0 DIADHO C[C@H](CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)c1ccccc1 ZINC000604885062 1038462511 /nfs/dbraw/zinc/46/25/11/1038462511.db2.gz FFWWUABVLJJYNP-AQNXPRMDSA-N 1 3 314.517 4.377 20 0 DIADHO C[C@H](CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)c1ccccc1 ZINC000604885062 1038462514 /nfs/dbraw/zinc/46/25/14/1038462514.db2.gz FFWWUABVLJJYNP-AQNXPRMDSA-N 1 3 314.517 4.377 20 0 DIADHO Cc1cc(C)nc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000707898410 1038498194 /nfs/dbraw/zinc/49/81/94/1038498194.db2.gz IPYHFWIPVATOLC-HSALFYBXSA-N 1 3 321.468 4.021 20 0 DIADHO Cc1cc(C)nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000707898410 1038498201 /nfs/dbraw/zinc/49/82/01/1038498201.db2.gz IPYHFWIPVATOLC-HSALFYBXSA-N 1 3 321.468 4.021 20 0 DIADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(C(F)F)c(F)c2)C[C@H]1C ZINC000892102098 1038515151 /nfs/dbraw/zinc/51/51/51/1038515151.db2.gz CJDJYUZVCZAQCO-OCCSQVGLSA-N 1 3 314.395 4.068 20 0 DIADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C(F)F)c(F)c2)C[C@H]1C ZINC000892102098 1038515158 /nfs/dbraw/zinc/51/51/58/1038515158.db2.gz CJDJYUZVCZAQCO-OCCSQVGLSA-N 1 3 314.395 4.068 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000539499529 1039272472 /nfs/dbraw/zinc/27/24/72/1039272472.db2.gz GVAXIUWQDQAHJV-QAPCUYQASA-N 1 3 306.469 4.234 20 0 DIADHO CC[N@@H+]1CC[C@H](CN[C@@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000539499529 1039272486 /nfs/dbraw/zinc/27/24/86/1039272486.db2.gz GVAXIUWQDQAHJV-QAPCUYQASA-N 1 3 306.469 4.234 20 0 DIADHO CC[N@H+]1CC[C@H](CN[C@@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000539499529 1039272504 /nfs/dbraw/zinc/27/25/04/1039272504.db2.gz GVAXIUWQDQAHJV-QAPCUYQASA-N 1 3 306.469 4.234 20 0 DIADHO C[C@H]1CCC[C@H](N2CCC([NH2+]C3CCC(F)(F)CC3)CC2)C1 ZINC000540155016 1039435297 /nfs/dbraw/zinc/43/52/97/1039435297.db2.gz DWKYYTDHAQXBPR-YOEHRIQHSA-N 1 3 314.464 4.197 20 0 DIADHO Cc1ccc(C)c2c1CCC[C@@H]2NCc1ccc(C[NH3+])cc1F ZINC000650755080 1039459902 /nfs/dbraw/zinc/45/99/02/1039459902.db2.gz YDHGKVUSDYPRFP-IBGZPJMESA-N 1 3 312.432 4.068 20 0 DIADHO Cc1ccc(C)c2c1CCC[C@H]2NCc1ccc(C[NH3+])cc1F ZINC000650755081 1039460641 /nfs/dbraw/zinc/46/06/41/1039460641.db2.gz YDHGKVUSDYPRFP-LJQANCHMSA-N 1 3 312.432 4.068 20 0 DIADHO CC[C@H](NCc1ccccc1C[NH2+]C)c1cccc(Cl)c1 ZINC000650759543 1039471619 /nfs/dbraw/zinc/47/16/19/1039471619.db2.gz LRJZRILPDDFEDE-SFHVURJKSA-N 1 3 302.849 4.300 20 0 DIADHO Cc1cc([C@H]([NH2+][C@H]2CCC[C@H](N(C)C)C2)C2CC2)ccc1F ZINC000540321861 1039476020 /nfs/dbraw/zinc/47/60/20/1039476020.db2.gz ZRVSITNOSIDLOJ-JENIJYKNSA-N 1 3 304.453 4.048 20 0 DIADHO CCc1ccc(CC[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)cc1 ZINC000541601814 1039715333 /nfs/dbraw/zinc/71/53/33/1039715333.db2.gz QJGCKEKIXSSDAV-YLJYHZDGSA-N 1 3 314.517 4.034 20 0 DIADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)C(c1ccccc1)c1ccccc1 ZINC000541628172 1039718434 /nfs/dbraw/zinc/71/84/34/1039718434.db2.gz DYZJQNOXCTULMZ-NQIIRXRSSA-N 1 3 322.496 4.281 20 0 DIADHO C(=C/[C@H]1CCCCC[N@H+]1CCCN1CCCC1)\c1cccs1 ZINC000542134547 1039797580 /nfs/dbraw/zinc/79/75/80/1039797580.db2.gz RSYYTUJEYVTNSI-DOJUMQAQSA-N 1 3 318.530 4.492 20 0 DIADHO C(=C/[C@H]1CCCCC[N@@H+]1CCCN1CCCC1)\c1cccs1 ZINC000542134547 1039797597 /nfs/dbraw/zinc/79/75/97/1039797597.db2.gz RSYYTUJEYVTNSI-DOJUMQAQSA-N 1 3 318.530 4.492 20 0 DIADHO C(=C\[C@@H]1CCCCC[N@H+]1CCCN1CCCC1)\c1cccs1 ZINC000542134549 1039797726 /nfs/dbraw/zinc/79/77/26/1039797726.db2.gz RSYYTUJEYVTNSI-LENZSSGSSA-N 1 3 318.530 4.492 20 0 DIADHO C(=C\[C@@H]1CCCCC[N@@H+]1CCCN1CCCC1)\c1cccs1 ZINC000542134549 1039797740 /nfs/dbraw/zinc/79/77/40/1039797740.db2.gz RSYYTUJEYVTNSI-LENZSSGSSA-N 1 3 318.530 4.492 20 0 DIADHO Cc1cccc(C)c1CNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708563601 1040082924 /nfs/dbraw/zinc/08/29/24/1040082924.db2.gz ZSUWPEYTRVKGFK-PZJWPPBQSA-N 1 3 322.496 4.161 20 0 DIADHO Cc1cccc(C)c1CNC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000708563601 1040082942 /nfs/dbraw/zinc/08/29/42/1040082942.db2.gz ZSUWPEYTRVKGFK-PZJWPPBQSA-N 1 3 322.496 4.161 20 0 DIADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000708563601 1040082960 /nfs/dbraw/zinc/08/29/60/1040082960.db2.gz ZSUWPEYTRVKGFK-PZJWPPBQSA-N 1 3 322.496 4.161 20 0 DIADHO C[C@@H]([NH2+][C@@H](C)c1ccsc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309704557 1040092085 /nfs/dbraw/zinc/09/20/85/1040092085.db2.gz HJSNZNVLWBTRDJ-SOLBZPMBSA-N 1 3 314.498 4.309 20 0 DIADHO CC(C)(C)N1CCC([NH2+]Cc2ccc3sccc3c2)CC1 ZINC000685656898 1040194610 /nfs/dbraw/zinc/19/46/10/1040194610.db2.gz QYUVFUHGPFVPLV-UHFFFAOYSA-N 1 3 302.487 4.254 20 0 DIADHO C[NH+](C)Cc1ccc(CN[C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000171132467 1040994754 /nfs/dbraw/zinc/99/47/54/1040994754.db2.gz AUCRNNPZMNUSOD-LJQANCHMSA-N 1 3 314.860 4.179 20 0 DIADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000613491444 1041004854 /nfs/dbraw/zinc/00/48/54/1041004854.db2.gz SAIVDQXWIKJUMI-UHFFFAOYSA-N 1 3 308.897 4.284 20 0 DIADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000613491444 1041004861 /nfs/dbraw/zinc/00/48/61/1041004861.db2.gz SAIVDQXWIKJUMI-UHFFFAOYSA-N 1 3 308.897 4.284 20 0 DIADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCSc3c(F)cccc32)cc1 ZINC000423292288 1041214551 /nfs/dbraw/zinc/21/45/51/1041214551.db2.gz MJODRANLCCLRLQ-YVEFUNNKSA-N 1 3 316.445 4.172 20 0 DIADHO COc1ccc([C@H](C)[NH2+]CCCCF)cc1CN1CCCCC1 ZINC000812738178 1041642746 /nfs/dbraw/zinc/64/27/46/1041642746.db2.gz XZLKUFAHHBYFRC-INIZCTEOSA-N 1 3 322.468 4.081 20 0 DIADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(C2CC2)cc1 ZINC000417350593 1041661929 /nfs/dbraw/zinc/66/19/29/1041661929.db2.gz AJGZCGIGGCDHMR-OAHLLOKOSA-N 1 3 300.490 4.478 20 0 DIADHO C[NH+](C)CC[C@@H](NCc1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000584860223 1041693801 /nfs/dbraw/zinc/69/38/01/1041693801.db2.gz OYWCFEWUSWSYBY-OAHLLOKOSA-N 1 3 316.411 4.161 20 0 DIADHO CC1(C)[C@@H]2C[C@@H](N3CCC([NH3+])(c4cccc(Cl)c4)CC3)C[C@@H]21 ZINC001170739957 1041805142 /nfs/dbraw/zinc/80/51/42/1041805142.db2.gz SZXGRXXNADZYHM-OSYLJGHBSA-N 1 3 318.892 4.024 20 0 DIADHO CC[C@@H](OCC[NH2+]C1CCN(C(C)(C)C)CC1)c1ccccc1 ZINC000651908755 1041949359 /nfs/dbraw/zinc/94/93/59/1041949359.db2.gz MPLGGQVJPFIBIX-LJQANCHMSA-N 1 3 318.505 4.007 20 0 DIADHO COc1ccc([C@@H](C)[NH2+]CC[C@H](C)F)cc1CN1CCCCC1 ZINC000815645666 1041983968 /nfs/dbraw/zinc/98/39/68/1041983968.db2.gz MMYUAYDUOOPMIX-JKSUJKDBSA-N 1 3 322.468 4.080 20 0 DIADHO CCC1([NH3+])CCN([C@@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000925756334 1042088436 /nfs/dbraw/zinc/08/84/36/1042088436.db2.gz KZAWPGPORVLOAZ-INIZCTEOSA-N 1 3 309.457 4.013 20 0 DIADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1ccc(Cl)c(Cl)c1 ZINC000817946639 1042130530 /nfs/dbraw/zinc/13/05/30/1042130530.db2.gz CAKGYWVHOKUDKE-LBPRGKRZSA-N 1 3 323.267 4.345 20 0 DIADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1cc(Cl)cc(Cl)c1 ZINC000817950453 1042130753 /nfs/dbraw/zinc/13/07/53/1042130753.db2.gz YIOJCDUQIBUBMV-GFCCVEGCSA-N 1 3 323.267 4.345 20 0 DIADHO CCCCN1CCC([NH2+][C@H](C)c2ccc(OCCC)cc2)CC1 ZINC000319725073 1042227202 /nfs/dbraw/zinc/22/72/02/1042227202.db2.gz BKYRTZKBVJXRIF-QGZVFWFLSA-N 1 3 318.505 4.391 20 0 DIADHO C[C@H](N[C@H]1CCc2c1cccc2F)c1cccc(C[NH+](C)C)c1 ZINC000820808958 1042229171 /nfs/dbraw/zinc/22/91/71/1042229171.db2.gz QLBYXNUWVKUYMM-XOBRGWDASA-N 1 3 312.432 4.225 20 0 DIADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171018635 1042329133 /nfs/dbraw/zinc/32/91/33/1042329133.db2.gz UYVIPQYYCGZMEV-DOTOQJQBSA-N 1 3 320.908 4.051 20 0 DIADHO CCN(CC)C[C@H]1CC[N@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000185517926 1042393826 /nfs/dbraw/zinc/39/38/26/1042393826.db2.gz YWMJXNUGQWJBNU-HWOWSKLDSA-N 1 3 320.443 4.019 20 0 DIADHO CCN(CC)C[C@H]1CC[N@@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000185517926 1042393831 /nfs/dbraw/zinc/39/38/31/1042393831.db2.gz YWMJXNUGQWJBNU-HWOWSKLDSA-N 1 3 320.443 4.019 20 0 DIADHO CSc1ccc([C@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000219150954 1042395644 /nfs/dbraw/zinc/39/56/44/1042395644.db2.gz PAFXKWKFMXOHED-HNNXBMFYSA-N 1 3 306.519 4.180 20 0 DIADHO Cc1cccc2c1OCC[C@H]2N[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924885632 1042471810 /nfs/dbraw/zinc/47/18/10/1042471810.db2.gz IKQCVKVHDOKADH-OXQOHEQNSA-N 1 3 324.468 4.231 20 0 DIADHO C[C@H]1CCC[N@H+](CCCCN[C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000513528159 1042550750 /nfs/dbraw/zinc/55/07/50/1042550750.db2.gz XIEIHELBHPHVNN-KBXCAEBGSA-N 1 3 322.443 4.054 20 0 DIADHO C[C@H]1CCC[N@@H+](CCCCN[C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000513528159 1042550753 /nfs/dbraw/zinc/55/07/53/1042550753.db2.gz XIEIHELBHPHVNN-KBXCAEBGSA-N 1 3 322.443 4.054 20 0 DIADHO Cc1ccc(-c2ccc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)N4C)o2)cc1 ZINC000237098194 1042600947 /nfs/dbraw/zinc/60/09/47/1042600947.db2.gz JPJJJXBBIVUTDU-YQQQUEKLSA-N 1 3 324.468 4.360 20 0 DIADHO Cc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc(CN)nc1C)C(C)C ZINC000422702392 1042687791 /nfs/dbraw/zinc/68/77/91/1042687791.db2.gz DZJJQZLMZSGVSA-UZLBHIALSA-N 1 3 311.473 4.205 20 0 DIADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422739262 1042688930 /nfs/dbraw/zinc/68/89/30/1042688930.db2.gz KXBWGZVHDQYAMO-SRVKXCTJSA-N 1 3 321.465 4.034 20 0 DIADHO C[C@@H](N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000422758472 1042689204 /nfs/dbraw/zinc/68/92/04/1042689204.db2.gz DWYNOVQKNBYZJI-KGLIPLIRSA-N 1 3 314.860 4.266 20 0 DIADHO Cc1ccsc1[C@H](Cc1ccccc1)N[C@H]1CCC[NH2+]CC1 ZINC000422754096 1042690143 /nfs/dbraw/zinc/69/01/43/1042690143.db2.gz DQYAEMBCMPYGIS-ROUUACIJSA-N 1 3 314.498 4.072 20 0 DIADHO CC[C@@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)c1ccc(Cl)cc1 ZINC000422822592 1042690918 /nfs/dbraw/zinc/69/09/18/1042690918.db2.gz KEQBHGUTEUCSGL-SCLBCKFNSA-N 1 3 317.864 4.304 20 0 DIADHO CC[C@H](N[C@H](C)c1ccc(C[NH3+])nc1C)c1cccc(Cl)c1 ZINC000422855479 1042691822 /nfs/dbraw/zinc/69/18/22/1042691822.db2.gz DXZNCHSNFFBCQY-ACJLOTCBSA-N 1 3 317.864 4.304 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000422945501 1042693895 /nfs/dbraw/zinc/69/38/95/1042693895.db2.gz NHJSHZLSMBGLIF-QRWLVFNGSA-N 1 3 323.484 4.312 20 0 DIADHO CC(C)[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000422996225 1042695269 /nfs/dbraw/zinc/69/52/69/1042695269.db2.gz LKIYPYHKKKTQTG-HOTGVXAUSA-N 1 3 314.395 4.134 20 0 DIADHO CC[C@H](CSc1ccc(C)c(C)c1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423002993 1042695383 /nfs/dbraw/zinc/69/53/83/1042695383.db2.gz KKUHKAHLPHHYKA-HRBLRVMOSA-N 1 3 318.530 4.047 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000423039237 1042695970 /nfs/dbraw/zinc/69/59/70/1042695970.db2.gz FEQAQUQEAXYVPZ-AWEZNQCLSA-N 1 3 303.494 4.104 20 0 DIADHO C[C@@H]([NH3+])C[C@H](C)N[C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423077785 1042697124 /nfs/dbraw/zinc/69/71/24/1042697124.db2.gz UNMGYLMQIYDWLK-IXDOHACOSA-N 1 3 312.457 4.042 20 0 DIADHO Cc1c2cc(Cl)ccc2sc1CN[C@@H]1CCC[NH2+]CC1 ZINC000423104911 1042697933 /nfs/dbraw/zinc/69/79/33/1042697933.db2.gz QPNTXOOWFMIVLB-CYBMUJFWSA-N 1 3 308.878 4.095 20 0 DIADHO CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423149431 1042698829 /nfs/dbraw/zinc/69/88/29/1042698829.db2.gz APLNMVVJLUOUBD-USXIJHARSA-N 1 3 303.494 4.106 20 0 DIADHO C[C@@H](N[C@@H](C)c1ccc(F)c2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000423133125 1042698681 /nfs/dbraw/zinc/69/86/81/1042698681.db2.gz VMLXZNQZWUDETP-ILXRZTDVSA-N 1 3 300.421 4.018 20 0 DIADHO CC(C)Oc1ccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423289825 1042704538 /nfs/dbraw/zinc/70/45/38/1042704538.db2.gz BQIXIDATELHMMU-JKSUJKDBSA-N 1 3 312.457 4.344 20 0 DIADHO Cc1cc([C@@H](NCCCC[NH3+])c2ccccc2Cl)ccc1F ZINC000423317718 1042705809 /nfs/dbraw/zinc/70/58/09/1042705809.db2.gz DAMNOOTZFWWCPC-GOSISDBHSA-N 1 3 320.839 4.205 20 0 DIADHO CSc1ccccc1[C@@H](C)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423294511 1042706290 /nfs/dbraw/zinc/70/62/90/1042706290.db2.gz UOFLNHHDHPBNGU-UONOGXRCSA-N 1 3 300.471 4.279 20 0 DIADHO Cc1c2ccccc2oc1[C@H](C)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423363765 1042708445 /nfs/dbraw/zinc/70/84/45/1042708445.db2.gz AIYTZMULINRSER-AWEZNQCLSA-N 1 3 306.409 4.195 20 0 DIADHO Cc1ccsc1[C@H](Cc1ccccc1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423382307 1042709068 /nfs/dbraw/zinc/70/90/68/1042709068.db2.gz OVDMGVFULGORJL-NJAFHUGGSA-N 1 3 314.498 4.070 20 0 DIADHO C[C@@H]1C[C@H](N[C@@H]2CCCc3c4ccccc4sc32)CC[NH2+]1 ZINC000423380305 1042709201 /nfs/dbraw/zinc/70/92/01/1042709201.db2.gz NSROUOHWOUFILX-XJKCOSOUSA-N 1 3 300.471 4.009 20 0 DIADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c4ccccc4sc32)CCN1 ZINC000423380305 1042709206 /nfs/dbraw/zinc/70/92/06/1042709206.db2.gz NSROUOHWOUFILX-XJKCOSOUSA-N 1 3 300.471 4.009 20 0 DIADHO C[C@H](CCCC[NH3+])N[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423443134 1042712215 /nfs/dbraw/zinc/71/22/15/1042712215.db2.gz VLISMNQHRYEJFY-QRWLVFNGSA-N 1 3 323.440 4.024 20 0 DIADHO C[C@@H]([NH2+][C@H](Cc1ccccc1Cl)c1cccs1)[C@H](C)N ZINC000423465039 1042713989 /nfs/dbraw/zinc/71/39/89/1042713989.db2.gz MJJRTCMVGKFEKT-YWPYICTPSA-N 1 3 308.878 4.011 20 0 DIADHO C[C@@H](CCC[NH3+])N[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000423461504 1042714206 /nfs/dbraw/zinc/71/42/06/1042714206.db2.gz SUYZFJBTVILKNZ-SCLBCKFNSA-N 1 3 320.839 4.286 20 0 DIADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1Cl ZINC000423511962 1042717722 /nfs/dbraw/zinc/71/77/22/1042717722.db2.gz UFNXJFAGGRFNTP-KBXCAEBGSA-N 1 3 302.849 4.471 20 0 DIADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([NH2+]C1CCC3(CCCC3)CC1)C2 ZINC001167961729 1042848616 /nfs/dbraw/zinc/84/86/16/1042848616.db2.gz OFHOIPBDCCONQZ-IHWFROFDSA-N 1 3 316.533 4.484 20 0 DIADHO Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)cs2)cs1 ZINC000425947645 1042883229 /nfs/dbraw/zinc/88/32/29/1042883229.db2.gz VVMNKOMABQIBDM-VXGBXAGGSA-N 1 3 323.531 4.028 20 0 DIADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CCC[C@H]3CCCC[C@H]31)C2 ZINC001167968569 1042956335 /nfs/dbraw/zinc/95/63/35/1042956335.db2.gz RQHBLCBTIJDUTA-KPMIJUJFSA-N 1 3 316.533 4.340 20 0 DIADHO CC(C)([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1)C1CCCCC1 ZINC001167974342 1042967551 /nfs/dbraw/zinc/96/75/51/1042967551.db2.gz WYWGMICYSPKSBP-YQQQUEKLSA-N 1 3 304.522 4.340 20 0 DIADHO Cc1ccc(C)c(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000383434828 1042990695 /nfs/dbraw/zinc/99/06/95/1042990695.db2.gz CNKVSPDMUIALTD-OAQYLSRUSA-N 1 3 322.496 4.305 20 0 DIADHO Cc1ccc(C)c(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000383434828 1042990698 /nfs/dbraw/zinc/99/06/98/1042990698.db2.gz CNKVSPDMUIALTD-OAQYLSRUSA-N 1 3 322.496 4.305 20 0 DIADHO CC[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1cccc(F)c1 ZINC000188111392 1043011764 /nfs/dbraw/zinc/01/17/64/1043011764.db2.gz AMUVDEHWVZZODL-LJQANCHMSA-N 1 3 304.453 4.273 20 0 DIADHO CC[C@H](c1ccc(F)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441411726 1043044444 /nfs/dbraw/zinc/04/44/44/1043044444.db2.gz HDWVUWASFNCXOC-NSISKUIASA-N 1 3 316.464 4.226 20 0 DIADHO CC[C@H](c1ccc(F)cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441411726 1043044450 /nfs/dbraw/zinc/04/44/50/1043044450.db2.gz HDWVUWASFNCXOC-NSISKUIASA-N 1 3 316.464 4.226 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H](c2ccccn2)C(C)C)c1 ZINC000866260613 1043167131 /nfs/dbraw/zinc/16/71/31/1043167131.db2.gz VVYAEXCCZBVJNT-FQEVSTJZSA-N 1 3 311.473 4.020 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](c2ccccn2)C(C)C)c1 ZINC000866260613 1043167136 /nfs/dbraw/zinc/16/71/36/1043167136.db2.gz VVYAEXCCZBVJNT-FQEVSTJZSA-N 1 3 311.473 4.020 20 0 DIADHO C[NH+](C)C1(C)CCC(N[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000866516329 1043216240 /nfs/dbraw/zinc/21/62/40/1043216240.db2.gz PJSWAJKMEQAQTF-CKHPTIKVSA-N 1 3 323.484 4.024 20 0 DIADHO CC[C@H]1c2ccccc2CCN1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168003277 1043220688 /nfs/dbraw/zinc/22/06/88/1043220688.db2.gz MUPFMQPGEARTII-CZJMCEMMSA-N 1 3 324.512 4.401 20 0 DIADHO CC[C@H]1c2ccccc2CCN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168003277 1043220699 /nfs/dbraw/zinc/22/06/99/1043220699.db2.gz MUPFMQPGEARTII-CZJMCEMMSA-N 1 3 324.512 4.401 20 0 DIADHO CC[C@H]1c2ccccc2CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001168003277 1043220714 /nfs/dbraw/zinc/22/07/14/1043220714.db2.gz MUPFMQPGEARTII-CZJMCEMMSA-N 1 3 324.512 4.401 20 0 DIADHO CC[C@H]1c2ccccc2CC[N@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001168003277 1043220719 /nfs/dbraw/zinc/22/07/19/1043220719.db2.gz MUPFMQPGEARTII-CZJMCEMMSA-N 1 3 324.512 4.401 20 0 DIADHO CCC[N@@H+]1CC[C@H](CN[C@@H](c2ccc(C)cc2)C2CCC2)C1 ZINC000427610541 1043242414 /nfs/dbraw/zinc/24/24/14/1043242414.db2.gz VHSPOAGBURPGIW-YLJYHZDGSA-N 1 3 300.490 4.158 20 0 DIADHO CCC[N@H+]1CC[C@H](CN[C@@H](c2ccc(C)cc2)C2CCC2)C1 ZINC000427610541 1043242425 /nfs/dbraw/zinc/24/24/25/1043242425.db2.gz VHSPOAGBURPGIW-YLJYHZDGSA-N 1 3 300.490 4.158 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@@H](c2ccc(C)cc2)C2CCC2)C1 ZINC000427610541 1043242431 /nfs/dbraw/zinc/24/24/31/1043242431.db2.gz VHSPOAGBURPGIW-YLJYHZDGSA-N 1 3 300.490 4.158 20 0 DIADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@@H+]1CCC3(C1)CCCCC3)C2 ZINC001168006294 1043255762 /nfs/dbraw/zinc/25/57/62/1043255762.db2.gz MTVXTKPRKPXNMT-DFNIBXOVSA-N 1 3 302.506 4.048 20 0 DIADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@H+]1CCC3(C1)CCCCC3)C2 ZINC001168006294 1043255771 /nfs/dbraw/zinc/25/57/71/1043255771.db2.gz MTVXTKPRKPXNMT-DFNIBXOVSA-N 1 3 302.506 4.048 20 0 DIADHO Cc1ccoc1C[NH2+]Cc1ccccc1CN(C)Cc1ccco1 ZINC000266163945 1043300895 /nfs/dbraw/zinc/30/08/95/1043300895.db2.gz OMBUILQZKSKFAI-UHFFFAOYSA-N 1 3 324.424 4.103 20 0 DIADHO Cc1cc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1-c1ccccc1 ZINC000427862916 1043311558 /nfs/dbraw/zinc/31/15/58/1043311558.db2.gz IPDMOXWCQYXBHN-UWJYYQICSA-N 1 3 308.469 4.092 20 0 DIADHO Cc1cc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1-c1ccccc1 ZINC000427862916 1043311569 /nfs/dbraw/zinc/31/15/69/1043311569.db2.gz IPDMOXWCQYXBHN-UWJYYQICSA-N 1 3 308.469 4.092 20 0 DIADHO C[C@@H](NCc1coc2ccccc12)c1cccc(C[NH+](C)C)c1 ZINC000925417953 1043417479 /nfs/dbraw/zinc/41/74/79/1043417479.db2.gz RDFOCOZZYWZDSY-OAHLLOKOSA-N 1 3 308.425 4.345 20 0 DIADHO CCCCN1CCC([NH2+][C@@H](C)c2ccccc2SC)CC1 ZINC000442786182 1043418671 /nfs/dbraw/zinc/41/86/71/1043418671.db2.gz SSVKIWGYIYAXKF-HNNXBMFYSA-N 1 3 306.519 4.324 20 0 DIADHO [NH3+]CCC[C@H](NCc1ccccc1OCC1CC1)c1ccccc1 ZINC000925514703 1043423039 /nfs/dbraw/zinc/42/30/39/1043423039.db2.gz ONBYWTORRLCQRQ-FQEVSTJZSA-N 1 3 324.468 4.045 20 0 DIADHO FC(F)C1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000442788709 1043423354 /nfs/dbraw/zinc/42/33/54/1043423354.db2.gz YJGVHIAWNGWXHD-UHFFFAOYSA-N 1 3 314.464 4.197 20 0 DIADHO CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000872052199 1043436060 /nfs/dbraw/zinc/43/60/60/1043436060.db2.gz MGCWXPWOHZFVHA-CABCVRRESA-N 1 3 308.432 4.065 20 0 DIADHO [NH3+]CCC[C@H](NCc1cc(C2CC2)ccc1F)c1ccccc1 ZINC000925680942 1043452303 /nfs/dbraw/zinc/45/23/03/1043452303.db2.gz RXGOAMVCPRGJCZ-FQEVSTJZSA-N 1 3 312.432 4.273 20 0 DIADHO COc1ccc(C2CC2)cc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925734647 1043459000 /nfs/dbraw/zinc/45/90/00/1043459000.db2.gz BTJNNHMUCSVXMK-FQEVSTJZSA-N 1 3 324.468 4.142 20 0 DIADHO CCC[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(Cl)cc1 ZINC000925780557 1043471303 /nfs/dbraw/zinc/47/13/03/1043471303.db2.gz SYLMNBIMUVTMCR-ZFWWWQNUSA-N 1 3 316.823 4.016 20 0 DIADHO COc1ccc([C@H](C)N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1C ZINC000925832436 1043479618 /nfs/dbraw/zinc/47/96/18/1043479618.db2.gz VTPLYGSFDMEIKO-PWIZWCRZSA-N 1 3 324.468 4.148 20 0 DIADHO Cc1ccc(C)c2c1CCC[C@@H]2NC1CC[NH+](C(C)C)CC1 ZINC000349327814 1043501772 /nfs/dbraw/zinc/50/17/72/1043501772.db2.gz XIYWFWMRFGERFO-IBGZPJMESA-N 1 3 300.490 4.143 20 0 DIADHO CCC[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccsc1 ZINC000191187728 1043544995 /nfs/dbraw/zinc/54/49/95/1043544995.db2.gz KHQAHDBAPNBWHN-SFHVURJKSA-N 1 3 302.487 4.441 20 0 DIADHO C[NH+](C)[C@H]1CCCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000558741020 1043586057 /nfs/dbraw/zinc/58/60/57/1043586057.db2.gz IWUIENWFOQQYFW-FQEVSTJZSA-N 1 3 308.469 4.192 20 0 DIADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1csc2ccccc12 ZINC000926542202 1043597301 /nfs/dbraw/zinc/59/73/01/1043597301.db2.gz PYONKXMXBBUKPE-FFHGMXDLSA-N 1 3 300.471 4.177 20 0 DIADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1csc2ccccc12 ZINC000926542202 1043597311 /nfs/dbraw/zinc/59/73/11/1043597311.db2.gz PYONKXMXBBUKPE-FFHGMXDLSA-N 1 3 300.471 4.177 20 0 DIADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc(-c3ccncc3)c2)C[C@@H]1C ZINC000353747893 1043639737 /nfs/dbraw/zinc/63/97/37/1043639737.db2.gz QOYRTRNHFNCTHR-UWJYYQICSA-N 1 3 323.484 4.053 20 0 DIADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc(-c3ccncc3)c2)C[C@@H]1C ZINC000353747893 1043639741 /nfs/dbraw/zinc/63/97/41/1043639741.db2.gz QOYRTRNHFNCTHR-UWJYYQICSA-N 1 3 323.484 4.053 20 0 DIADHO Cc1ccoc1CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000354025606 1043674154 /nfs/dbraw/zinc/67/41/54/1043674154.db2.gz GPWGUBVELJMSBS-UHFFFAOYSA-N 1 3 324.468 4.076 20 0 DIADHO Cc1ccoc1CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000354025606 1043674161 /nfs/dbraw/zinc/67/41/61/1043674161.db2.gz GPWGUBVELJMSBS-UHFFFAOYSA-N 1 3 324.468 4.076 20 0 DIADHO CC(C)O[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccccc1 ZINC000876949477 1043725588 /nfs/dbraw/zinc/72/55/88/1043725588.db2.gz WTVFLMBIYOYBQU-LJQANCHMSA-N 1 3 318.505 4.005 20 0 DIADHO C[C@H](N[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccc[nH]1 ZINC000877123948 1043746446 /nfs/dbraw/zinc/74/64/46/1043746446.db2.gz GSSNUOZRGQIBIN-XAUMDUMWSA-N 1 3 309.457 4.033 20 0 DIADHO C[C@H](N[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccc[nH]1 ZINC000877123948 1043746462 /nfs/dbraw/zinc/74/64/62/1043746462.db2.gz GSSNUOZRGQIBIN-XAUMDUMWSA-N 1 3 309.457 4.033 20 0 DIADHO C[C@H](N[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccc[nH]1 ZINC000877123947 1043747977 /nfs/dbraw/zinc/74/79/77/1043747977.db2.gz GSSNUOZRGQIBIN-VPWXQRGCSA-N 1 3 309.457 4.033 20 0 DIADHO C[C@H](N[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccc[nH]1 ZINC000877123947 1043747983 /nfs/dbraw/zinc/74/79/83/1043747983.db2.gz GSSNUOZRGQIBIN-VPWXQRGCSA-N 1 3 309.457 4.033 20 0 DIADHO CCC[NH+]1CCC(N[C@H](CCCCOC)c2ccccc2)CC1 ZINC000355298765 1043760095 /nfs/dbraw/zinc/76/00/95/1043760095.db2.gz XMIQHUPXGJYWOM-HXUWFJFHSA-N 1 3 318.505 4.008 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000355531877 1043773773 /nfs/dbraw/zinc/77/37/73/1043773773.db2.gz LEMHABZMPHUISL-SFHVURJKSA-N 1 3 304.453 4.056 20 0 DIADHO C[C@H]([NH2+]CC[C@H]1CCCC1(F)F)[C@@H]1CCCN(C2CCC2)C1 ZINC000878412700 1043885223 /nfs/dbraw/zinc/88/52/23/1043885223.db2.gz ZODHWLYMFSPGCO-ARFHVFGLSA-N 1 3 314.464 4.055 20 0 DIADHO C[C@H]([NH2+]CC[C@@H]1CCCC1(F)F)[C@H]1CCCN(C2CCC2)C1 ZINC000878412702 1043885903 /nfs/dbraw/zinc/88/59/03/1043885903.db2.gz ZODHWLYMFSPGCO-JYJNAYRXSA-N 1 3 314.464 4.055 20 0 DIADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(Cl)c(Cl)c1 ZINC000034958905 1043892627 /nfs/dbraw/zinc/89/26/27/1043892627.db2.gz YYCBATNHNWCKMI-HLVVYCRESA-N 1 3 313.272 4.269 20 0 DIADHO C[NH+](C)Cc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000357355608 1043943126 /nfs/dbraw/zinc/94/31/26/1043943126.db2.gz NZNXRCZZULZLHN-HXUWFJFHSA-N 1 3 312.432 4.055 20 0 DIADHO CC[N@H+](C)Cc1cccc(CNCc2ccc(C)c(Cl)c2)c1 ZINC000443963365 1044065196 /nfs/dbraw/zinc/06/51/96/1044065196.db2.gz HQIGFHRUHQPPNK-UHFFFAOYSA-N 1 3 316.876 4.390 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(C)c(Cl)c2)c1 ZINC000443963365 1044065207 /nfs/dbraw/zinc/06/52/07/1044065207.db2.gz HQIGFHRUHQPPNK-UHFFFAOYSA-N 1 3 316.876 4.390 20 0 DIADHO CC[C@H]([NH2+]CC[C@@H](C)N1CCCCC1)c1ccc(OC)cc1 ZINC000346864330 1044163332 /nfs/dbraw/zinc/16/33/32/1044163332.db2.gz GEBNPHJAHOCDSH-APWZRJJASA-N 1 3 304.478 4.000 20 0 DIADHO CC[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccc(OC)cc1 ZINC000346864332 1044163554 /nfs/dbraw/zinc/16/35/54/1044163554.db2.gz GEBNPHJAHOCDSH-QFBILLFUSA-N 1 3 304.478 4.000 20 0 DIADHO CC1CC[NH+](C[C@H]2CCCN(CCCCOC(C)(C)C)C2)CC1 ZINC000475052653 1044169264 /nfs/dbraw/zinc/16/92/64/1044169264.db2.gz DZCPFTIKTOHCKW-IBGZPJMESA-N 1 3 324.553 4.026 20 0 DIADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CC3)CC2)c2ccsc2S1 ZINC000360442662 1044271695 /nfs/dbraw/zinc/27/16/95/1044271695.db2.gz KNIMAKFTAXKBPE-MLGOLLRUSA-N 1 3 322.543 4.138 20 0 DIADHO C[N@H+](CCCN[C@@H](c1cccnc1)C1CCC1)Cc1ccccc1 ZINC000360842498 1044317664 /nfs/dbraw/zinc/31/76/64/1044317664.db2.gz WXCVKJFACIHLBA-OAQYLSRUSA-N 1 3 323.484 4.035 20 0 DIADHO C[N@@H+](CCCN[C@@H](c1cccnc1)C1CCC1)Cc1ccccc1 ZINC000360842498 1044317678 /nfs/dbraw/zinc/31/76/78/1044317678.db2.gz WXCVKJFACIHLBA-OAQYLSRUSA-N 1 3 323.484 4.035 20 0 DIADHO CCCCN1CCC([NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000360854821 1044320881 /nfs/dbraw/zinc/32/08/81/1044320881.db2.gz CTYFSPMUWYXSEM-QGZVFWFLSA-N 1 3 304.478 4.147 20 0 DIADHO Clc1ccc(CC2(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000293780254 1044326538 /nfs/dbraw/zinc/32/65/38/1044326538.db2.gz TVTXDUSABDEVPV-ROUUACIJSA-N 1 3 318.892 4.022 20 0 DIADHO Clc1ccc(CC2(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000293780254 1044326552 /nfs/dbraw/zinc/32/65/52/1044326552.db2.gz TVTXDUSABDEVPV-ROUUACIJSA-N 1 3 318.892 4.022 20 0 DIADHO C[C@@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cccnc1 ZINC000112537463 1044443222 /nfs/dbraw/zinc/44/32/22/1044443222.db2.gz MHYCJYHPXAOZRC-GOSISDBHSA-N 1 3 323.484 4.308 20 0 DIADHO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000566039414 1044471577 /nfs/dbraw/zinc/47/15/77/1044471577.db2.gz OVMONCXDCOGDLM-XUVXKRRUSA-N 1 3 300.490 4.067 20 0 DIADHO Cc1cc2cc([C@@H](C)NCc3ccc(C[NH3+])cc3)oc2cc1C ZINC000566244895 1044478176 /nfs/dbraw/zinc/47/81/76/1044478176.db2.gz MFTSJGVHCHNLKT-OAHLLOKOSA-N 1 3 308.425 4.359 20 0 DIADHO Fc1ccccc1CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000475554304 1044497714 /nfs/dbraw/zinc/49/77/14/1044497714.db2.gz IASMRPFFHYAVDQ-UHFFFAOYSA-N 1 3 318.480 4.145 20 0 DIADHO C[C@@H](CNC1CC([NH+]2CCCCC2)C1)c1cccc(Cl)c1 ZINC000475573686 1044512079 /nfs/dbraw/zinc/51/20/79/1044512079.db2.gz MNQADXFWZBTXJZ-NNGSBXSVSA-N 1 3 306.881 4.050 20 0 DIADHO COc1ccc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc12 ZINC000296033477 1044583823 /nfs/dbraw/zinc/58/38/23/1044583823.db2.gz TUJAEESMFUDHFU-XYTVBORESA-N 1 3 324.468 4.124 20 0 DIADHO COc1ccc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC000296033477 1044583842 /nfs/dbraw/zinc/58/38/42/1044583842.db2.gz TUJAEESMFUDHFU-XYTVBORESA-N 1 3 324.468 4.124 20 0 DIADHO COc1ccc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc12 ZINC000296033472 1044584566 /nfs/dbraw/zinc/58/45/66/1044584566.db2.gz TUJAEESMFUDHFU-MGNMYUMUSA-N 1 3 324.468 4.124 20 0 DIADHO COc1ccc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc12 ZINC000296033472 1044584581 /nfs/dbraw/zinc/58/45/81/1044584581.db2.gz TUJAEESMFUDHFU-MGNMYUMUSA-N 1 3 324.468 4.124 20 0 DIADHO CCc1ccccc1CC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000444669588 1044598611 /nfs/dbraw/zinc/59/86/11/1044598611.db2.gz GTJABBAYXQOIDA-YLJYHZDGSA-N 1 3 314.517 4.034 20 0 DIADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296256892 1044602975 /nfs/dbraw/zinc/60/29/75/1044602975.db2.gz DDDOZDOLCIAEFX-CIUFUOKISA-N 1 3 323.484 4.069 20 0 DIADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296256892 1044602982 /nfs/dbraw/zinc/60/29/82/1044602982.db2.gz DDDOZDOLCIAEFX-CIUFUOKISA-N 1 3 323.484 4.069 20 0 DIADHO CCCc1cc(N2CCC3(CCC[N@@H+]3C)CC2)c2ccccc2n1 ZINC000445601825 1044766624 /nfs/dbraw/zinc/76/66/24/1044766624.db2.gz UJBQEIQACDXMNL-UHFFFAOYSA-N 1 3 323.484 4.252 20 0 DIADHO CCCc1cc(N2CCC3(CCC[N@H+]3C)CC2)c2ccccc2n1 ZINC000445601825 1044766634 /nfs/dbraw/zinc/76/66/34/1044766634.db2.gz UJBQEIQACDXMNL-UHFFFAOYSA-N 1 3 323.484 4.252 20 0 DIADHO COc1ccc([C@@H](C)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000123060375 1044780128 /nfs/dbraw/zinc/78/01/28/1044780128.db2.gz POPUKYIAPYLZJP-QGZVFWFLSA-N 1 3 324.468 4.142 20 0 DIADHO Cc1ccc2c(c1)CN(CCCC[N@@H+]1Cc3ccc(C)cc3C1)C2 ZINC000573749027 1044919689 /nfs/dbraw/zinc/91/96/89/1044919689.db2.gz YWWGDIALYATLTR-UHFFFAOYSA-N 1 3 320.480 4.415 20 0 DIADHO Cc1ccc2c(c1)CN(CCCC[N@H+]1Cc3ccc(C)cc3C1)C2 ZINC000573749027 1044919697 /nfs/dbraw/zinc/91/96/97/1044919697.db2.gz YWWGDIALYATLTR-UHFFFAOYSA-N 1 3 320.480 4.415 20 0 DIADHO C[C@@H](NCC[C@H]1CCC[N@@H+]1C)c1ccc(F)c2ccccc21 ZINC000575213514 1044994176 /nfs/dbraw/zinc/99/41/76/1044994176.db2.gz FQAWGIADOMHKDV-HUUCEWRRSA-N 1 3 300.421 4.114 20 0 DIADHO C[C@@H](NCC[C@H]1CCC[N@H+]1C)c1ccc(F)c2ccccc21 ZINC000575213514 1044994188 /nfs/dbraw/zinc/99/41/88/1044994188.db2.gz FQAWGIADOMHKDV-HUUCEWRRSA-N 1 3 300.421 4.114 20 0 DIADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(F)c2ccccc21 ZINC000575213514 1044994205 /nfs/dbraw/zinc/99/42/05/1044994205.db2.gz FQAWGIADOMHKDV-HUUCEWRRSA-N 1 3 300.421 4.114 20 0 DIADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2cc3ccccc3s2)C1 ZINC000446745817 1045029362 /nfs/dbraw/zinc/02/93/62/1045029362.db2.gz QODODCCLVLIPED-CABCVRRESA-N 1 3 302.487 4.284 20 0 DIADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2cc3ccccc3s2)C1 ZINC000446745817 1045029374 /nfs/dbraw/zinc/02/93/74/1045029374.db2.gz QODODCCLVLIPED-CABCVRRESA-N 1 3 302.487 4.284 20 0 DIADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2cc3ccccc3s2)C1 ZINC000446745817 1045029385 /nfs/dbraw/zinc/02/93/85/1045029385.db2.gz QODODCCLVLIPED-CABCVRRESA-N 1 3 302.487 4.284 20 0 DIADHO Cc1nc(-c2ccc([C@H](C)N[C@H]3CCC[C@H]([NH3+])C3)cc2)cs1 ZINC000576530663 1045063376 /nfs/dbraw/zinc/06/33/76/1045063376.db2.gz YHTIUGMCAYMOGX-ZLIFDBKOSA-N 1 3 315.486 4.039 20 0 DIADHO C[N@@H+]1CC[C@@H](NC2(c3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000576772427 1045077435 /nfs/dbraw/zinc/07/74/35/1045077435.db2.gz URBNDBDPMYQKBW-WOJBJXKFSA-N 1 3 306.453 4.101 20 0 DIADHO C[N@H+]1CC[C@@H](NC2(c3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000576772427 1045077446 /nfs/dbraw/zinc/07/74/46/1045077446.db2.gz URBNDBDPMYQKBW-WOJBJXKFSA-N 1 3 306.453 4.101 20 0 DIADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCN1CCCC[C@H]1C ZINC000300531037 1045130192 /nfs/dbraw/zinc/13/01/92/1045130192.db2.gz QEUNIHSHRUAIRJ-HZPDHXFCSA-N 1 3 308.897 4.125 20 0 DIADHO C[C@H]([NH2+]C1CCN(CC2CCCCC2)CC1)C1CCSCC1 ZINC000779019024 1045143276 /nfs/dbraw/zinc/14/32/76/1045143276.db2.gz UCACUKFADIWOMW-INIZCTEOSA-N 1 3 324.578 4.152 20 0 DIADHO CC(C)CSCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000557273237 1045163871 /nfs/dbraw/zinc/16/38/71/1045163871.db2.gz IJSVFVUJQBDLTE-UHFFFAOYSA-N 1 3 312.567 4.152 20 0 DIADHO CC(C)N(C)CCC[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000577918031 1045188707 /nfs/dbraw/zinc/18/87/07/1045188707.db2.gz ANOYDITZMCABTO-AWEZNQCLSA-N 1 3 316.411 4.129 20 0 DIADHO C[C@H](CCCC[NH3+])NCc1csc(-c2ccc(Cl)cc2)n1 ZINC000578047257 1045202170 /nfs/dbraw/zinc/20/21/70/1045202170.db2.gz MZURYWZOXACQIE-GFCCVEGCSA-N 1 3 323.893 4.071 20 0 DIADHO C[C@H](N[C@H]1CCCOc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000924884153 1045207950 /nfs/dbraw/zinc/20/79/50/1045207950.db2.gz WPGIHVQKRBXMCC-JXFKEZNVSA-N 1 3 324.468 4.313 20 0 DIADHO CC[N@H+](C)Cc1cccc(CNCc2ccc(C(F)F)cc2)c1 ZINC000527518780 1045232921 /nfs/dbraw/zinc/23/29/21/1045232921.db2.gz WMSGGEPCUBDLKL-UHFFFAOYSA-N 1 3 318.411 4.366 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(C(F)F)cc2)c1 ZINC000527518780 1045232930 /nfs/dbraw/zinc/23/29/30/1045232930.db2.gz WMSGGEPCUBDLKL-UHFFFAOYSA-N 1 3 318.411 4.366 20 0 DIADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccc2cc[nH]c2c1 ZINC000527641286 1045244988 /nfs/dbraw/zinc/24/49/88/1045244988.db2.gz SCJQONLITKNATO-UHFFFAOYSA-N 1 3 321.468 4.298 20 0 DIADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccc2cc[nH]c2c1 ZINC000527641286 1045244995 /nfs/dbraw/zinc/24/49/95/1045244995.db2.gz SCJQONLITKNATO-UHFFFAOYSA-N 1 3 321.468 4.298 20 0 DIADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449061119 1045337596 /nfs/dbraw/zinc/33/75/96/1045337596.db2.gz HMVSJYBTWLTMNM-PGYGNJIDSA-N 1 3 322.537 4.111 20 0 DIADHO CC[NH+]1CCC(NCc2ccccc2-c2ccccc2C)CC1 ZINC000449064352 1045339122 /nfs/dbraw/zinc/33/91/22/1045339122.db2.gz PTVUKNDQVSJJQB-UHFFFAOYSA-N 1 3 308.469 4.236 20 0 DIADHO C[C@H](NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@@H]1CCCCO1 ZINC000449246959 1045370064 /nfs/dbraw/zinc/37/00/64/1045370064.db2.gz DZXMDWAASPYUBG-WMZOPIPTSA-N 1 3 324.553 4.213 20 0 DIADHO C[C@@H]1CSC[C@H]1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449323064 1045374678 /nfs/dbraw/zinc/37/46/78/1045374678.db2.gz RLZFHMBRKDWZMJ-GDBMZVCRSA-N 1 3 312.567 4.007 20 0 DIADHO CC[NH+]1CCC(N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)CC1 ZINC000449449236 1045394767 /nfs/dbraw/zinc/39/47/67/1045394767.db2.gz KYGBRNKXTKDJIV-QGZVFWFLSA-N 1 3 310.844 4.004 20 0 DIADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CCCC2(F)F)CC1 ZINC000449499656 1045403576 /nfs/dbraw/zinc/40/35/76/1045403576.db2.gz UCDGXQBOUFSQJF-VYDXJSESSA-N 1 3 314.464 4.055 20 0 DIADHO CC(C)CCO[C@H]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000629531167 1045676451 /nfs/dbraw/zinc/67/64/51/1045676451.db2.gz CBIAUJQEYRRSQB-XNFNUYLZSA-N 1 3 316.489 4.095 20 0 DIADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1(C(F)(F)F)CCCC1 ZINC000629550942 1045678908 /nfs/dbraw/zinc/67/89/08/1045678908.db2.gz QEBSHKHZRRSEOK-ZIAGYGMSSA-N 1 3 306.416 4.010 20 0 DIADHO COc1cc(C)c([C@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1C ZINC000753609527 1045776274 /nfs/dbraw/zinc/77/62/74/1045776274.db2.gz DSTKDGPWEDUNSH-KRWDZBQOSA-N 1 3 318.505 4.083 20 0 DIADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCCc3ncccc32)c1 ZINC000631569284 1045871014 /nfs/dbraw/zinc/87/10/14/1045871014.db2.gz HQEDFTXRPWBKEL-OAQYLSRUSA-N 1 3 323.484 4.091 20 0 DIADHO CCNc1ccccc1CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000902043351 1045894277 /nfs/dbraw/zinc/89/42/77/1045894277.db2.gz QAEWFOPMLUGCRK-UHFFFAOYSA-N 1 3 323.484 4.004 20 0 DIADHO Cc1ccccc1C[NH+]1CCC(N[C@H](C)c2ccccc2)CC1 ZINC000531701002 1045899923 /nfs/dbraw/zinc/89/99/23/1045899923.db2.gz VULACSCLPUOSRZ-GOSISDBHSA-N 1 3 308.469 4.310 20 0 DIADHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1cc(F)ccc1F ZINC000531718229 1045911687 /nfs/dbraw/zinc/91/16/87/1045911687.db2.gz RUNOWKWZJBLDJC-OAHLLOKOSA-N 1 3 310.432 4.272 20 0 DIADHO CC[C@@H](NCc1cccc(C[N@H+](C)C(C)C)c1)c1ccncc1 ZINC000453076044 1045927725 /nfs/dbraw/zinc/92/77/25/1045927725.db2.gz DPUHXGLENAUHSD-HXUWFJFHSA-N 1 3 311.473 4.163 20 0 DIADHO CC[C@@H](NCc1cccc(C[N@@H+](C)C(C)C)c1)c1ccncc1 ZINC000453076044 1045927731 /nfs/dbraw/zinc/92/77/31/1045927731.db2.gz DPUHXGLENAUHSD-HXUWFJFHSA-N 1 3 311.473 4.163 20 0 DIADHO C[C@@H]1C[C@H](N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)CC[N@@H+]1C ZINC000453308369 1046027776 /nfs/dbraw/zinc/02/77/76/1046027776.db2.gz DLRURMMQQLYQHB-JDSLSITLSA-N 1 3 310.844 4.003 20 0 DIADHO C[C@@H]1C[C@H](N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)CC[N@H+]1C ZINC000453308369 1046027789 /nfs/dbraw/zinc/02/77/89/1046027789.db2.gz DLRURMMQQLYQHB-JDSLSITLSA-N 1 3 310.844 4.003 20 0 DIADHO Cc1cc([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)cc(C)c1F ZINC000532199946 1046112942 /nfs/dbraw/zinc/11/29/42/1046112942.db2.gz AWBOVVRBKSJNLM-MRXNPFEDSA-N 1 3 314.448 4.355 20 0 DIADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(C(F)(F)F)s1 ZINC000903069629 1046155361 /nfs/dbraw/zinc/15/53/61/1046155361.db2.gz IPVYBLVPJGBSGD-NEPJUHHUSA-N 1 3 320.424 4.149 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2cc(C)c(OC)c(C)c2)CC1 ZINC001138429026 1046178330 /nfs/dbraw/zinc/17/83/30/1046178330.db2.gz CHRBCBMVXLJQOX-UHFFFAOYSA-N 1 3 318.505 4.008 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2cc(C)c(OC)c(C)c2)CC1 ZINC001138429026 1046178336 /nfs/dbraw/zinc/17/83/36/1046178336.db2.gz CHRBCBMVXLJQOX-UHFFFAOYSA-N 1 3 318.505 4.008 20 0 DIADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1ccc2cccnc2c1 ZINC001139168187 1046400323 /nfs/dbraw/zinc/40/03/23/1046400323.db2.gz JTJRIFIKYGMQAK-PMACEKPBSA-N 1 3 323.484 4.074 20 0 DIADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1ccc2cccnc2c1 ZINC001139168187 1046400326 /nfs/dbraw/zinc/40/03/26/1046400326.db2.gz JTJRIFIKYGMQAK-PMACEKPBSA-N 1 3 323.484 4.074 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc2cccnc2c1 ZINC001139168187 1046400329 /nfs/dbraw/zinc/40/03/29/1046400329.db2.gz JTJRIFIKYGMQAK-PMACEKPBSA-N 1 3 323.484 4.074 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc2cccnc2c1 ZINC001139168187 1046400337 /nfs/dbraw/zinc/40/03/37/1046400337.db2.gz JTJRIFIKYGMQAK-PMACEKPBSA-N 1 3 323.484 4.074 20 0 DIADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(Cl)c(F)c1 ZINC000536626265 1046539015 /nfs/dbraw/zinc/53/90/15/1046539015.db2.gz WJELXUDPHUPILJ-CYBMUJFWSA-N 1 3 320.839 4.392 20 0 DIADHO Fc1cccc(F)c1CNCCCCCCC[NH+]1CCCC1 ZINC000729682515 1046576832 /nfs/dbraw/zinc/57/68/32/1046576832.db2.gz YNNULPBNOIZKRK-UHFFFAOYSA-N 1 3 310.432 4.101 20 0 DIADHO CCC[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccccn1 ZINC000195139215 1046589285 /nfs/dbraw/zinc/58/92/85/1046589285.db2.gz BKKWRVHDXUVEQO-VQTJNVASSA-N 1 3 323.484 4.035 20 0 DIADHO C[C@@H](c1ccccc1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000532989344 1046635470 /nfs/dbraw/zinc/63/54/70/1046635470.db2.gz QMRKVQVQFTVTPV-AZUAARDMSA-N 1 3 308.469 4.202 20 0 DIADHO C[C@@H](c1ccccc1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000532989344 1046635475 /nfs/dbraw/zinc/63/54/75/1046635475.db2.gz QMRKVQVQFTVTPV-AZUAARDMSA-N 1 3 308.469 4.202 20 0 DIADHO C[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(-c2ccccc2F)s1 ZINC000643521836 1046670072 /nfs/dbraw/zinc/67/00/72/1046670072.db2.gz CZIFGUCRJKPWIP-ZIAGYGMSSA-N 1 3 318.461 4.347 20 0 DIADHO CC(C)[C@H](CSc1ccccc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548518 1046673095 /nfs/dbraw/zinc/67/30/95/1046673095.db2.gz QIPBKSDKYZNAFL-WMZOPIPTSA-N 1 3 318.530 4.068 20 0 DIADHO CC(C)[C@H](CSc1ccccc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548518 1046673099 /nfs/dbraw/zinc/67/30/99/1046673099.db2.gz QIPBKSDKYZNAFL-WMZOPIPTSA-N 1 3 318.530 4.068 20 0 DIADHO Clc1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CCNC4(CCC4)C3)C2)cc1 ZINC000643547809 1046673321 /nfs/dbraw/zinc/67/33/21/1046673321.db2.gz JFEVCBPEINDISD-NJAFHUGGSA-N 1 3 318.892 4.240 20 0 DIADHO Clc1ccc([C@@H]2CC[C@@H]([NH2+][C@H]3CCNC4(CCC4)C3)C2)cc1 ZINC000643547810 1046673706 /nfs/dbraw/zinc/67/37/06/1046673706.db2.gz JFEVCBPEINDISD-NXHRZFHOSA-N 1 3 318.892 4.240 20 0 DIADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1C(C)(C)C ZINC000533637930 1046770335 /nfs/dbraw/zinc/77/03/35/1046770335.db2.gz BMMJNOYUBGXCSO-HOTGVXAUSA-N 1 3 300.490 4.119 20 0 DIADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1C(C)(C)C ZINC000533637930 1046770347 /nfs/dbraw/zinc/77/03/47/1046770347.db2.gz BMMJNOYUBGXCSO-HOTGVXAUSA-N 1 3 300.490 4.119 20 0 DIADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(F)c3ccccc32)C1 ZINC000645393674 1046789102 /nfs/dbraw/zinc/78/91/02/1046789102.db2.gz MNSBUDSDXBVBCX-JKSUJKDBSA-N 1 3 314.448 4.361 20 0 DIADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(F)c3ccccc32)C1 ZINC000645393674 1046789110 /nfs/dbraw/zinc/78/91/10/1046789110.db2.gz MNSBUDSDXBVBCX-JKSUJKDBSA-N 1 3 314.448 4.361 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)c3ccccc32)C1 ZINC000645393674 1046789121 /nfs/dbraw/zinc/78/91/21/1046789121.db2.gz MNSBUDSDXBVBCX-JKSUJKDBSA-N 1 3 314.448 4.361 20 0 DIADHO CC(C)[N@H+](CCCc1cccc(Cl)c1)[C@H]1CCCNCC1 ZINC001206580548 1046864089 /nfs/dbraw/zinc/86/40/89/1046864089.db2.gz DQCACNAUOGRADJ-SFHVURJKSA-N 1 3 308.897 4.125 20 0 DIADHO CC(C)[N@@H+](CCCc1cccc(Cl)c1)[C@H]1CCCNCC1 ZINC001206580548 1046864111 /nfs/dbraw/zinc/86/41/11/1046864111.db2.gz DQCACNAUOGRADJ-SFHVURJKSA-N 1 3 308.897 4.125 20 0 DIADHO CCC[NH+]1CCC(N[C@@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000161660216 1046909564 /nfs/dbraw/zinc/90/95/64/1046909564.db2.gz TZDJJBHDDOLUSX-KRWDZBQOSA-N 1 3 323.484 4.274 20 0 DIADHO CCC[NH+]1CCC(N[C@H](C)c2cccc(-c3ccncc3)c2)CC1 ZINC000161660299 1046909691 /nfs/dbraw/zinc/90/96/91/1046909691.db2.gz TZDJJBHDDOLUSX-QGZVFWFLSA-N 1 3 323.484 4.274 20 0 DIADHO CC(C)C[C@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccncc1 ZINC000647299739 1046971402 /nfs/dbraw/zinc/97/14/02/1046971402.db2.gz CETVNEPVKDQQJA-HKUYNNGSSA-N 1 3 303.494 4.023 20 0 DIADHO CC[C@@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccsc1 ZINC000647344318 1046985381 /nfs/dbraw/zinc/98/53/81/1046985381.db2.gz NZDYXQNRDOZHRB-CEXWTWQISA-N 1 3 314.498 4.134 20 0 DIADHO CC[C@@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccsc1 ZINC000647344318 1046985392 /nfs/dbraw/zinc/98/53/92/1046985392.db2.gz NZDYXQNRDOZHRB-CEXWTWQISA-N 1 3 314.498 4.134 20 0 DIADHO CC[C@H](c1ccc(F)cc1F)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178135 1047009802 /nfs/dbraw/zinc/00/98/02/1047009802.db2.gz MUUDIMSHDSBRNB-GOSISDBHSA-N 1 3 322.443 4.224 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000536875393 1047118057 /nfs/dbraw/zinc/11/80/57/1047118057.db2.gz HTURNDFHGQYTOE-KRWDZBQOSA-N 1 3 306.881 4.180 20 0 DIADHO C[C@H](c1nc2ccccc2s1)N(C)CCCC1CC[NH2+]CC1 ZINC000649411104 1047126213 /nfs/dbraw/zinc/12/62/13/1047126213.db2.gz RBYHHINWXZXKGM-CQSZACIVSA-N 1 3 317.502 4.069 20 0 DIADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2oc3ccccc3c2C)C1 ZINC001116293263 1047127373 /nfs/dbraw/zinc/12/73/73/1047127373.db2.gz LFIZHXXSMBVTHQ-HZPDHXFCSA-N 1 3 300.446 4.124 20 0 DIADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2oc3ccccc3c2C)C1 ZINC001116293262 1047127827 /nfs/dbraw/zinc/12/78/27/1047127827.db2.gz LFIZHXXSMBVTHQ-HOTGVXAUSA-N 1 3 300.446 4.124 20 0 DIADHO C[C@@H](c1ccc(F)c(Cl)c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001118263907 1047277054 /nfs/dbraw/zinc/27/70/54/1047277054.db2.gz OPAAOZQILCAJFB-ZDUSSCGKSA-N 1 3 310.844 4.006 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1oc2ccccc2c1C ZINC000650757927 1047280087 /nfs/dbraw/zinc/28/00/87/1047280087.db2.gz FCQNAVSHTZXMBA-HNNXBMFYSA-N 1 3 308.425 4.311 20 0 DIADHO Cc1ccc2oc(CN[C@H](CCC[NH3+])c3ccccc3)cc2c1 ZINC000841086140 1047381180 /nfs/dbraw/zinc/38/11/80/1047381180.db2.gz DHBRVRIGIJZWGG-LJQANCHMSA-N 1 3 308.425 4.311 20 0 DIADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255688564 1047418526 /nfs/dbraw/zinc/41/85/26/1047418526.db2.gz BMQIUPLSRWGHQN-YPMHNXCESA-N 1 3 306.416 4.088 20 0 DIADHO C[C@@H](c1cccnc1)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476976274 1047587301 /nfs/dbraw/zinc/58/73/01/1047587301.db2.gz WANXZWBVWHCHKX-MSOLQXFVSA-N 1 3 315.505 4.119 20 0 DIADHO C[C@@H](c1cccnc1)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476976274 1047587305 /nfs/dbraw/zinc/58/73/05/1047587305.db2.gz WANXZWBVWHCHKX-MSOLQXFVSA-N 1 3 315.505 4.119 20 0 DIADHO Cc1cc(Oc2ccccc2)ccc1CN1CCCC[C@H](C[NH3+])C1 ZINC001206639913 1047593875 /nfs/dbraw/zinc/59/38/75/1047593875.db2.gz GILQNQURKOMEIR-GOSISDBHSA-N 1 3 324.468 4.348 20 0 DIADHO CC(C)C[C@@H](C[NH2+][C@@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000666993984 1047610992 /nfs/dbraw/zinc/61/09/92/1047610992.db2.gz ZNQOWIATSGTPDC-RBUKOAKNSA-N 1 3 300.490 4.081 20 0 DIADHO Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995661 1047612632 /nfs/dbraw/zinc/61/26/32/1047612632.db2.gz VPNHZGJKDXHSNZ-ZVZYQTTQSA-N 1 3 318.892 4.240 20 0 DIADHO CCC[N@@H+]1CC[C@H](CN[C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000538101079 1047657402 /nfs/dbraw/zinc/65/74/02/1047657402.db2.gz OPANEAWIXUSSJK-KDOFPFPSSA-N 1 3 306.881 4.113 20 0 DIADHO CCC[N@H+]1CC[C@H](CN[C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000538101079 1047657407 /nfs/dbraw/zinc/65/74/07/1047657407.db2.gz OPANEAWIXUSSJK-KDOFPFPSSA-N 1 3 306.881 4.113 20 0 DIADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000538101078 1047657521 /nfs/dbraw/zinc/65/75/21/1047657521.db2.gz OPANEAWIXUSSJK-KBXCAEBGSA-N 1 3 306.881 4.113 20 0 DIADHO CCC[N@H+]1CC[C@@H](CN[C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000538101078 1047657525 /nfs/dbraw/zinc/65/75/25/1047657525.db2.gz OPANEAWIXUSSJK-KBXCAEBGSA-N 1 3 306.881 4.113 20 0 DIADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000538406022 1047673177 /nfs/dbraw/zinc/67/31/77/1047673177.db2.gz MBLXPLCNYDFJHF-OAHLLOKOSA-N 1 3 320.436 4.499 20 0 DIADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000538406022 1047673181 /nfs/dbraw/zinc/67/31/81/1047673181.db2.gz MBLXPLCNYDFJHF-OAHLLOKOSA-N 1 3 320.436 4.499 20 0 DIADHO Cc1ccc2c(c1)[C@@H](Nc1cc(C)cc(C)n1)CC21CC[NH2+]CC1 ZINC001155430583 1047680043 /nfs/dbraw/zinc/68/00/43/1047680043.db2.gz HYDQAKNNRBRNRZ-IBGZPJMESA-N 1 3 321.468 4.185 20 0 DIADHO CCC1(N2CCC2)CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC001197881968 1047893688 /nfs/dbraw/zinc/89/36/88/1047893688.db2.gz OBHDDBWVKOKQMX-UHFFFAOYSA-N 1 3 320.908 4.223 20 0 DIADHO Cc1cccc2c1CC[C@@H]2NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479462980 1047901111 /nfs/dbraw/zinc/90/11/11/1047901111.db2.gz HPHZSIIKOYWLJF-KNQAVFIVSA-N 1 3 320.480 4.094 20 0 DIADHO Cc1cccc2c1CC[C@@H]2NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479462980 1047901117 /nfs/dbraw/zinc/90/11/17/1047901117.db2.gz HPHZSIIKOYWLJF-KNQAVFIVSA-N 1 3 320.480 4.094 20 0 DIADHO CC1(C)[C@@H](NC2CC([NH+]3CCCCC3)C2)C[C@H]1c1ccccc1 ZINC000479516359 1047919235 /nfs/dbraw/zinc/91/92/35/1047919235.db2.gz KMWIAPNKAMOGDZ-GUMHCPJTSA-N 1 3 312.501 4.175 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000479578173 1047934697 /nfs/dbraw/zinc/93/46/97/1047934697.db2.gz KSQPQUIJZVSGCK-KBXCAEBGSA-N 1 3 306.881 4.037 20 0 DIADHO CN(CCCF)C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001183896777 1047978034 /nfs/dbraw/zinc/97/80/34/1047978034.db2.gz IUKCUYVIRBPNSC-HXUWFJFHSA-N 1 3 320.496 4.216 20 0 DIADHO CN(CCCF)C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001183896777 1047978046 /nfs/dbraw/zinc/97/80/46/1047978046.db2.gz IUKCUYVIRBPNSC-HXUWFJFHSA-N 1 3 320.496 4.216 20 0 DIADHO C[N@H+](CCCF)C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001183896777 1047978054 /nfs/dbraw/zinc/97/80/54/1047978054.db2.gz IUKCUYVIRBPNSC-HXUWFJFHSA-N 1 3 320.496 4.216 20 0 DIADHO C[N@@H+](CCCF)C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001183896777 1047978064 /nfs/dbraw/zinc/97/80/64/1047978064.db2.gz IUKCUYVIRBPNSC-HXUWFJFHSA-N 1 3 320.496 4.216 20 0 DIADHO CC[N@@H+]1CC[C@@H](CNCc2cccc(-c3ccc(C)cc3)c2)C1 ZINC001199383920 1048061905 /nfs/dbraw/zinc/06/19/05/1048061905.db2.gz KXGPZHBSZMFBMZ-IBGZPJMESA-N 1 3 308.469 4.093 20 0 DIADHO CC[N@H+]1CC[C@@H](CNCc2cccc(-c3ccc(C)cc3)c2)C1 ZINC001199383920 1048061922 /nfs/dbraw/zinc/06/19/22/1048061922.db2.gz KXGPZHBSZMFBMZ-IBGZPJMESA-N 1 3 308.469 4.093 20 0 DIADHO CC[N@@H+]1CC[C@H](CNCc2cccc(-c3ccc(C)cc3)c2)C1 ZINC001199383921 1048063549 /nfs/dbraw/zinc/06/35/49/1048063549.db2.gz KXGPZHBSZMFBMZ-LJQANCHMSA-N 1 3 308.469 4.093 20 0 DIADHO CC[N@H+]1CC[C@H](CNCc2cccc(-c3ccc(C)cc3)c2)C1 ZINC001199383921 1048063566 /nfs/dbraw/zinc/06/35/66/1048063566.db2.gz KXGPZHBSZMFBMZ-LJQANCHMSA-N 1 3 308.469 4.093 20 0 DIADHO CC(C)Oc1ccccc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925485484 1048160373 /nfs/dbraw/zinc/16/03/73/1048160373.db2.gz NQAZSEMCTZDRJU-IBGZPJMESA-N 1 3 312.457 4.044 20 0 DIADHO CC(C)(C[NH2+]C1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000480831802 1048255595 /nfs/dbraw/zinc/25/55/95/1048255595.db2.gz UZXZBRJZOGOVLH-UHFFFAOYSA-N 1 3 314.517 4.351 20 0 DIADHO CC1CCN(CC[C@H]2CCC[N@@H+]2CCCc2ccccc2)CC1 ZINC001175350932 1048272481 /nfs/dbraw/zinc/27/24/81/1048272481.db2.gz KANSTRJOSLQQSW-OAQYLSRUSA-N 1 3 314.517 4.206 20 0 DIADHO CC1CCN(CC[C@H]2CCC[N@H+]2CCCc2ccccc2)CC1 ZINC001175350932 1048272493 /nfs/dbraw/zinc/27/24/93/1048272493.db2.gz KANSTRJOSLQQSW-OAQYLSRUSA-N 1 3 314.517 4.206 20 0 DIADHO CCC(CC)C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001201534997 1048298459 /nfs/dbraw/zinc/29/84/59/1048298459.db2.gz GPTQEUDLWUQXMD-UHFFFAOYSA-N 1 3 300.490 4.021 20 0 DIADHO C1CC(C([NH2+]C2CCN(C3CCCCC3)CC2)C2CCC2)C1 ZINC000555226421 1048302382 /nfs/dbraw/zinc/30/23/82/1048302382.db2.gz LCEZGCGTMFXFSO-UHFFFAOYSA-N 1 3 304.522 4.342 20 0 DIADHO C[C@@H]([NH2+]CCCCc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000481051752 1048303401 /nfs/dbraw/zinc/30/34/01/1048303401.db2.gz CLZQACVAJDMNFH-QUCCMNQESA-N 1 3 314.517 4.252 20 0 DIADHO CC(C)(C[N@@H+]1CCCC[C@H](N)C1)Sc1ccc(Cl)cc1 ZINC001205923076 1048317065 /nfs/dbraw/zinc/31/70/65/1048317065.db2.gz HZZRYOWFPQBLBO-AWEZNQCLSA-N 1 3 312.910 4.024 20 0 DIADHO CC(C)(C[N@H+]1CCCC[C@H](N)C1)Sc1ccc(Cl)cc1 ZINC001205923076 1048317078 /nfs/dbraw/zinc/31/70/78/1048317078.db2.gz HZZRYOWFPQBLBO-AWEZNQCLSA-N 1 3 312.910 4.024 20 0 DIADHO C[N@H+](CCCc1ccccc1)C1CCN(C2CCCCC2)CC1 ZINC001201671164 1048339878 /nfs/dbraw/zinc/33/98/78/1048339878.db2.gz DHQSZDGDVNTRJW-UHFFFAOYSA-N 1 3 314.517 4.348 20 0 DIADHO C[N@@H+](CCCc1ccccc1)C1CCN(C2CCCCC2)CC1 ZINC001201671164 1048339892 /nfs/dbraw/zinc/33/98/92/1048339892.db2.gz DHQSZDGDVNTRJW-UHFFFAOYSA-N 1 3 314.517 4.348 20 0 DIADHO CN(CCCc1ccccc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001201671164 1048339903 /nfs/dbraw/zinc/33/99/03/1048339903.db2.gz DHQSZDGDVNTRJW-UHFFFAOYSA-N 1 3 314.517 4.348 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000481307996 1048358930 /nfs/dbraw/zinc/35/89/30/1048358930.db2.gz ACMTVWYITUWBOK-KBXCAEBGSA-N 1 3 306.881 4.039 20 0 DIADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000481307996 1048358945 /nfs/dbraw/zinc/35/89/45/1048358945.db2.gz ACMTVWYITUWBOK-KBXCAEBGSA-N 1 3 306.881 4.039 20 0 DIADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000481307996 1048358959 /nfs/dbraw/zinc/35/89/59/1048358959.db2.gz ACMTVWYITUWBOK-KBXCAEBGSA-N 1 3 306.881 4.039 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000481308003 1048359719 /nfs/dbraw/zinc/35/97/19/1048359719.db2.gz ACMTVWYITUWBOK-KSSFIOAISA-N 1 3 306.881 4.039 20 0 DIADHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000481308003 1048359728 /nfs/dbraw/zinc/35/97/28/1048359728.db2.gz ACMTVWYITUWBOK-KSSFIOAISA-N 1 3 306.881 4.039 20 0 DIADHO CC[N@H+]1CC[C@@H](CN[C@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000481308003 1048359739 /nfs/dbraw/zinc/35/97/39/1048359739.db2.gz ACMTVWYITUWBOK-KSSFIOAISA-N 1 3 306.881 4.039 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OCCC(C)C)cc2)C1 ZINC000481337691 1048372344 /nfs/dbraw/zinc/37/23/44/1048372344.db2.gz NLRPILRSEOIJRW-MSOLQXFVSA-N 1 3 318.505 4.104 20 0 DIADHO CN1CCC=C(Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC001175579609 1048375832 /nfs/dbraw/zinc/37/58/32/1048375832.db2.gz YWXGDNUBMAIWIK-UHFFFAOYSA-N 1 3 313.489 4.082 20 0 DIADHO CN1CCC=C(Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC001175579609 1048375845 /nfs/dbraw/zinc/37/58/45/1048375845.db2.gz YWXGDNUBMAIWIK-UHFFFAOYSA-N 1 3 313.489 4.082 20 0 DIADHO C[C@@H]([NH3+])c1ccc2c(ccn2-c2cc(N3CCCCC3)ccn2)c1 ZINC001162902283 1048381678 /nfs/dbraw/zinc/38/16/78/1048381678.db2.gz HIRBDHDLUUJMMT-OAHLLOKOSA-N 1 3 320.440 4.036 20 0 DIADHO CCN1CC[C@H]([N@H+](C)Cc2cc3c(cc(C)cc3C)[nH]2)C[C@H]1C ZINC000481988731 1048540120 /nfs/dbraw/zinc/54/01/20/1048540120.db2.gz GIFFFFYSJKGLTO-AEFFLSMTSA-N 1 3 313.489 4.089 20 0 DIADHO CCN1CC[C@H]([N@@H+](C)Cc2cc3c(cc(C)cc3C)[nH]2)C[C@H]1C ZINC000481988731 1048540137 /nfs/dbraw/zinc/54/01/37/1048540137.db2.gz GIFFFFYSJKGLTO-AEFFLSMTSA-N 1 3 313.489 4.089 20 0 DIADHO Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc(C)c1F ZINC000482326097 1048587222 /nfs/dbraw/zinc/58/72/22/1048587222.db2.gz YEFKGTXTZIAJSR-IAGOWNOFSA-N 1 3 306.469 4.214 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000482339861 1048589902 /nfs/dbraw/zinc/58/99/02/1048589902.db2.gz XQIMPKMJACCLQF-KDOFPFPSSA-N 1 3 306.881 4.037 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000482339863 1048591236 /nfs/dbraw/zinc/59/12/36/1048591236.db2.gz XQIMPKMJACCLQF-RDTXWAMCSA-N 1 3 306.881 4.037 20 0 DIADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)c2cc3c(s2)CCC3)C1 ZINC000482361454 1048592758 /nfs/dbraw/zinc/59/27/58/1048592758.db2.gz UERMLNNJTMUWLX-CABCVRRESA-N 1 3 306.519 4.008 20 0 DIADHO CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)c2cc3c(s2)CCC3)C1 ZINC000482361454 1048592772 /nfs/dbraw/zinc/59/27/72/1048592772.db2.gz UERMLNNJTMUWLX-CABCVRRESA-N 1 3 306.519 4.008 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2cc3c(s2)CCC3)C1 ZINC000482361454 1048592789 /nfs/dbraw/zinc/59/27/89/1048592789.db2.gz UERMLNNJTMUWLX-CABCVRRESA-N 1 3 306.519 4.008 20 0 DIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C2CCCC2)ccc1OC ZINC000775361313 1048705026 /nfs/dbraw/zinc/70/50/26/1048705026.db2.gz JSOQJPNUYYQXOU-OAHLLOKOSA-N 1 3 304.478 4.130 20 0 DIADHO CN1CCC[C@H]1CC[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC001190510799 1048745780 /nfs/dbraw/zinc/74/57/80/1048745780.db2.gz QAWTVSXOCDYEER-FQEVSTJZSA-N 1 3 308.469 4.289 20 0 DIADHO CN1CCC[C@H]1CC[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC001190510799 1048745796 /nfs/dbraw/zinc/74/57/96/1048745796.db2.gz QAWTVSXOCDYEER-FQEVSTJZSA-N 1 3 308.469 4.289 20 0 DIADHO CCC(C)(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716653648 1048786300 /nfs/dbraw/zinc/78/63/00/1048786300.db2.gz BFNQYAHQMAIFJD-FHWLQOOXSA-N 1 3 300.490 4.065 20 0 DIADHO COc1ccc([C@H](C)[NH2+]CC2(C)CC2)cc1CN1CCCCC1 ZINC000775412498 1048789478 /nfs/dbraw/zinc/78/94/78/1048789478.db2.gz NNIHOKSNKVLTNU-INIZCTEOSA-N 1 3 316.489 4.132 20 0 DIADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2sccc2Cl)C1 ZINC001177290782 1048858325 /nfs/dbraw/zinc/85/83/25/1048858325.db2.gz XWXBVLADNLFIGH-KBPBESRZSA-N 1 3 314.926 4.249 20 0 DIADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001203309154 1048866072 /nfs/dbraw/zinc/86/60/72/1048866072.db2.gz MSBACCBVCUXNPR-FKBYEOEOSA-N 1 3 320.480 4.297 20 0 DIADHO CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001203309154 1048866089 /nfs/dbraw/zinc/86/60/89/1048866089.db2.gz MSBACCBVCUXNPR-FKBYEOEOSA-N 1 3 320.480 4.297 20 0 DIADHO Cc1cccc([C@H](C)C[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000484138409 1048910255 /nfs/dbraw/zinc/91/02/55/1048910255.db2.gz SXBRIUZWPZXLKR-GOSISDBHSA-N 1 3 314.517 4.485 20 0 DIADHO Cc1cc(C)c(C[NH+]2CCC(N3CCC(F)CC3)CC2)c(C)c1 ZINC001203745938 1048988917 /nfs/dbraw/zinc/98/89/17/1048988917.db2.gz HPZLFVYWBVYTEL-UHFFFAOYSA-N 1 3 318.480 4.010 20 0 DIADHO CCCC1CCC(N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC001203751752 1049055110 /nfs/dbraw/zinc/05/51/10/1049055110.db2.gz VLVHECZXKXCIHJ-KVZIAJEVSA-N 1 3 303.494 4.023 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1c[nH]c2ccccc12 ZINC001204048654 1049073685 /nfs/dbraw/zinc/07/36/85/1049073685.db2.gz OFILRBVZZPPMPG-ZWKOTPCHSA-N 1 3 311.473 4.007 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1c[nH]c2ccccc12 ZINC001204048654 1049073698 /nfs/dbraw/zinc/07/36/98/1049073698.db2.gz OFILRBVZZPPMPG-ZWKOTPCHSA-N 1 3 311.473 4.007 20 0 DIADHO CCCN(CCC[NH+](C)C)Cc1ccc2cc(OC)ccc2c1 ZINC001204517250 1049180982 /nfs/dbraw/zinc/18/09/82/1049180982.db2.gz KMBYQQZUNNCGLL-UHFFFAOYSA-N 1 3 314.473 4.012 20 0 DIADHO Cc1ccc(CN2CCC(CCC[NH+](C)C)CC2)cc1Cl ZINC001204543837 1049186807 /nfs/dbraw/zinc/18/68/07/1049186807.db2.gz YDIKKZYQWIYJOD-UHFFFAOYSA-N 1 3 308.897 4.202 20 0 DIADHO CCN(CC)CC[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC001179805920 1049209839 /nfs/dbraw/zinc/20/98/39/1049209839.db2.gz VNGDONSDTOFTEX-OALUTQOASA-N 1 3 318.505 4.007 20 0 DIADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(C)(C)C)cc1 ZINC000195651613 1049245597 /nfs/dbraw/zinc/24/55/97/1049245597.db2.gz BBENRTRHLUTFRK-HOTGVXAUSA-N 1 3 300.490 4.119 20 0 DIADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C(C)(C)C)cc1 ZINC000195651613 1049245608 /nfs/dbraw/zinc/24/56/08/1049245608.db2.gz BBENRTRHLUTFRK-HOTGVXAUSA-N 1 3 300.490 4.119 20 0 DIADHO Cc1ccc2c(ccc(C)c2C[N@H+](C)CCCN2CCCC2)c1 ZINC001193850592 1049274025 /nfs/dbraw/zinc/27/40/25/1049274025.db2.gz XWZOWQLDFAEOEZ-UHFFFAOYSA-N 1 3 310.485 4.374 20 0 DIADHO Cc1ccc2c(ccc(C)c2C[N@@H+](C)CCCN2CCCC2)c1 ZINC001193850592 1049274036 /nfs/dbraw/zinc/27/40/36/1049274036.db2.gz XWZOWQLDFAEOEZ-UHFFFAOYSA-N 1 3 310.485 4.374 20 0 DIADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001204937431 1049315310 /nfs/dbraw/zinc/31/53/10/1049315310.db2.gz JUYVYUIWLZIOFB-CRSSMBPESA-N 1 3 312.501 4.065 20 0 DIADHO [NH3+][C@@H]1CCCN(Cc2ccc(-c3ccccc3Cl)cc2)CC1 ZINC001205109930 1049382000 /nfs/dbraw/zinc/38/20/00/1049382000.db2.gz NHFWJNDDQTZKJQ-QGZVFWFLSA-N 1 3 314.860 4.320 20 0 DIADHO C[C@@H]1CCC[C@@H](CCN2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC001194524650 1049385340 /nfs/dbraw/zinc/38/53/40/1049385340.db2.gz BULORIJFVDEYRQ-MOPGFXCFSA-N 1 3 314.517 4.457 20 0 DIADHO C[C@]1([NH3+])CCCN(Cc2cccc(-c3ccsc3)c2)CC1 ZINC001205272927 1049423867 /nfs/dbraw/zinc/42/38/67/1049423867.db2.gz AROLOZUJQCRYES-SFHVURJKSA-N 1 3 300.471 4.118 20 0 DIADHO Cc1csc2sc(CN3CCC[C@@](C)([NH3+])CC3)c(C)c12 ZINC001205281310 1049427013 /nfs/dbraw/zinc/42/70/13/1049427013.db2.gz SCMHHSFVCUJBOS-MRXNPFEDSA-N 1 3 308.516 4.283 20 0 DIADHO C[C@H]1CCN(Cc2ccc3oc4ccccc4c3c2)C[C@@H]1C[NH3+] ZINC001205303652 1049432456 /nfs/dbraw/zinc/43/24/56/1049432456.db2.gz JBTBZNXMEMRIGA-HOCLYGCPSA-N 1 3 308.425 4.003 20 0 DIADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)CN1CCCC1 ZINC001181428621 1049473395 /nfs/dbraw/zinc/47/33/95/1049473395.db2.gz ZQDMXMCNAOKZDE-VQTJNVASSA-N 1 3 314.517 4.109 20 0 DIADHO Cc1cc(Cl)c(Cl)cc1CN1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205654161 1049522451 /nfs/dbraw/zinc/52/24/51/1049522451.db2.gz WOVJHUUCQTWPTN-DGCLKSJQSA-N 1 3 315.288 4.109 20 0 DIADHO CCN(CCC[NH+]1CCCC1)CCc1ccc(C(C)C)cc1 ZINC001205692522 1049535382 /nfs/dbraw/zinc/53/53/82/1049535382.db2.gz FCDNTSVJECJSHW-UHFFFAOYSA-N 1 3 302.506 4.160 20 0 DIADHO C[C@@H]1CC[N@H+](Cc2cccc3c4ccccc4sc32)C[C@@H]1N ZINC001205872540 1049590219 /nfs/dbraw/zinc/59/02/19/1049590219.db2.gz NOXGVEKMPHBTOE-DYVFJYSZSA-N 1 3 310.466 4.224 20 0 DIADHO C[C@@H]1CC[N@@H+](Cc2cccc3c4ccccc4sc32)C[C@@H]1N ZINC001205872540 1049590233 /nfs/dbraw/zinc/59/02/33/1049590233.db2.gz NOXGVEKMPHBTOE-DYVFJYSZSA-N 1 3 310.466 4.224 20 0 DIADHO C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1cc(-c2ccsc2)cs1 ZINC001205915140 1049601558 /nfs/dbraw/zinc/60/15/58/1049601558.db2.gz OONCVWORQORHMX-CHWSQXEVSA-N 1 3 306.500 4.036 20 0 DIADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC001205980950 1049617119 /nfs/dbraw/zinc/61/71/19/1049617119.db2.gz UBMKFKRQOPOPPL-UYAOXDASSA-N 1 3 314.517 4.423 20 0 DIADHO Cc1cc(Cl)c(CN2CCC[C@H](C[NH3+])[C@H](C)C2)c(Cl)c1 ZINC001206024604 1049632751 /nfs/dbraw/zinc/63/27/51/1049632751.db2.gz KSKGNSPZWLPUOE-CHWSQXEVSA-N 1 3 315.288 4.109 20 0 DIADHO CC[NH+](CC)CC1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000488405211 1049646205 /nfs/dbraw/zinc/64/62/05/1049646205.db2.gz KANWQEYONSMAIM-OAHLLOKOSA-N 1 3 308.897 4.455 20 0 DIADHO Cc1ccc2c(c1)[C@H](NC[C@H]1CCC[N@@H+](C(C)C)C1)CCC2 ZINC000339070337 1049672952 /nfs/dbraw/zinc/67/29/52/1049672952.db2.gz MNGQSUGDHADKPL-YLJYHZDGSA-N 1 3 300.490 4.082 20 0 DIADHO Cc1ccc2c(c1)[C@H](NC[C@H]1CCC[N@H+](C(C)C)C1)CCC2 ZINC000339070337 1049672959 /nfs/dbraw/zinc/67/29/59/1049672959.db2.gz MNGQSUGDHADKPL-YLJYHZDGSA-N 1 3 300.490 4.082 20 0 DIADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)CCC2 ZINC000339070337 1049672966 /nfs/dbraw/zinc/67/29/66/1049672966.db2.gz MNGQSUGDHADKPL-YLJYHZDGSA-N 1 3 300.490 4.082 20 0 DIADHO CS[C@@H]1CCCC[C@H]1[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC001182692539 1049700285 /nfs/dbraw/zinc/70/02/85/1049700285.db2.gz AXQVPOPPWDSSQE-QXCFHYIPSA-N 1 3 324.578 4.293 20 0 DIADHO CS[C@@H]1CCCC[C@H]1[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC001182692537 1049700412 /nfs/dbraw/zinc/70/04/12/1049700412.db2.gz AXQVPOPPWDSSQE-JCHJZTRSSA-N 1 3 324.578 4.293 20 0 DIADHO CC[N@H+](CCCN[C@H](C)CCc1ccco1)C1CCCCC1 ZINC001182743745 1049710516 /nfs/dbraw/zinc/71/05/16/1049710516.db2.gz RTCLVGKILJAYIH-QGZVFWFLSA-N 1 3 306.494 4.235 20 0 DIADHO CC[N@@H+](CCCN[C@H](C)CCc1ccco1)C1CCCCC1 ZINC001182743745 1049710531 /nfs/dbraw/zinc/71/05/31/1049710531.db2.gz RTCLVGKILJAYIH-QGZVFWFLSA-N 1 3 306.494 4.235 20 0 DIADHO CC(C)C[N@H+](C)CCCNCCc1ccc(C(C)(C)C)cc1 ZINC001206537653 1049751308 /nfs/dbraw/zinc/75/13/08/1049751308.db2.gz LUYGGCVSAKKESQ-UHFFFAOYSA-N 1 3 304.522 4.094 20 0 DIADHO CC(C)C[N@@H+](C)CCCNCCc1ccc(C(C)(C)C)cc1 ZINC001206537653 1049751316 /nfs/dbraw/zinc/75/13/16/1049751316.db2.gz LUYGGCVSAKKESQ-UHFFFAOYSA-N 1 3 304.522 4.094 20 0 DIADHO CC(C)N(Cc1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC001206580080 1049761742 /nfs/dbraw/zinc/76/17/42/1049761742.db2.gz CBCIYFUUQLXYOQ-AWEZNQCLSA-N 1 3 315.288 4.346 20 0 DIADHO Cc1ccc(OC(C)C)cc1CN(C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206599465 1049766477 /nfs/dbraw/zinc/76/64/77/1049766477.db2.gz SDVAKLCEXYPEKU-IBGZPJMESA-N 1 3 318.505 4.135 20 0 DIADHO Cc1c(C[N@@H+]2CCCC[C@H](CN)C2)cccc1-c1ccccc1 ZINC001206640986 1049773602 /nfs/dbraw/zinc/77/36/02/1049773602.db2.gz QPVBCTZZIPBWDD-GOSISDBHSA-N 1 3 308.469 4.223 20 0 DIADHO Cc1c(C[N@H+]2CCCC[C@H](CN)C2)cccc1-c1ccccc1 ZINC001206640986 1049773609 /nfs/dbraw/zinc/77/36/09/1049773609.db2.gz QPVBCTZZIPBWDD-GOSISDBHSA-N 1 3 308.469 4.223 20 0 DIADHO Cc1cc(CN2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1Oc1ccccc1 ZINC001206806215 1049803424 /nfs/dbraw/zinc/80/34/24/1049803424.db2.gz FZLPXXKZQJRKDS-PKOBYXMFSA-N 1 3 324.468 4.347 20 0 DIADHO C[C@H]1CC[C@@H](C[NH3+])CN1Cc1cc(-c2ccsc2)cs1 ZINC001206807235 1049803475 /nfs/dbraw/zinc/80/34/75/1049803475.db2.gz HYIQBZUBWZMDSS-STQMWFEESA-N 1 3 306.500 4.036 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@H](CSc2ccccc2)C(C)C)C1 ZINC000490171209 1049808516 /nfs/dbraw/zinc/80/85/16/1049808516.db2.gz AQBSDVDPTLWIGL-IEBWSBKVSA-N 1 3 320.546 4.125 20 0 DIADHO CCC1([NH+](C)C)CCN(C[C@H](c2ccccc2)C(C)C)CC1 ZINC001207034597 1049822909 /nfs/dbraw/zinc/82/29/09/1049822909.db2.gz JFOUTTNHFCPZGI-IBGZPJMESA-N 1 3 302.506 4.232 20 0 DIADHO CCC1([NH+](C)C)CCN(C[C@@H](c2ccccc2)C(C)C)CC1 ZINC001207034598 1049823402 /nfs/dbraw/zinc/82/34/02/1049823402.db2.gz JFOUTTNHFCPZGI-LJQANCHMSA-N 1 3 302.506 4.232 20 0 DIADHO CC[N@H+](Cc1cccc(C(F)(F)F)c1)CC(C)(C)CN(C)C ZINC001207287362 1049876483 /nfs/dbraw/zinc/87/64/83/1049876483.db2.gz CBBVLUACVCMOPR-UHFFFAOYSA-N 1 3 316.411 4.115 20 0 DIADHO CC[N@@H+](Cc1cccc(C(F)(F)F)c1)CC(C)(C)CN(C)C ZINC001207287362 1049876487 /nfs/dbraw/zinc/87/64/87/1049876487.db2.gz CBBVLUACVCMOPR-UHFFFAOYSA-N 1 3 316.411 4.115 20 0 DIADHO FC1(F)CCC(C[N@@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001207347420 1049882140 /nfs/dbraw/zinc/88/21/40/1049882140.db2.gz UPIYLMZRCSNCEO-KRWDZBQOSA-N 1 3 314.464 4.152 20 0 DIADHO FC1(F)CCC(C[N@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001207347420 1049882145 /nfs/dbraw/zinc/88/21/45/1049882145.db2.gz UPIYLMZRCSNCEO-KRWDZBQOSA-N 1 3 314.464 4.152 20 0 DIADHO Cc1sccc1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000646053766 1049943380 /nfs/dbraw/zinc/94/33/80/1049943380.db2.gz PHGGGUPLTGGBCX-UHFFFAOYSA-N 1 3 306.519 4.145 20 0 DIADHO CN1C[C@@H]2CC[C@@H]([NH2+]CC3CCC4(CCCCC4)CC3)[C@H]2C1 ZINC001207836658 1049943708 /nfs/dbraw/zinc/94/37/08/1049943708.db2.gz KOFPLPLTOQIAMC-GBESFXJTSA-N 1 3 304.522 4.057 20 0 DIADHO Cc1ccc([C@@H](C)CC[N@@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)o1 ZINC001208170449 1049981546 /nfs/dbraw/zinc/98/15/46/1049981546.db2.gz XDSOCSHGOSKXRR-WDSOQIARSA-N 1 3 318.505 4.420 20 0 DIADHO Cc1ccc([C@@H](C)CC[N@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)o1 ZINC001208170449 1049981549 /nfs/dbraw/zinc/98/15/49/1049981549.db2.gz XDSOCSHGOSKXRR-WDSOQIARSA-N 1 3 318.505 4.420 20 0 DIADHO CCCCN1CCC([NH2+]Cc2ccc(C(C)(C)C)s2)CC1 ZINC000165983418 1049989933 /nfs/dbraw/zinc/98/99/33/1049989933.db2.gz LQGPXLICXBGPPJ-UHFFFAOYSA-N 1 3 308.535 4.400 20 0 DIADHO CCN(Cc1ccc(C)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208951801 1050029207 /nfs/dbraw/zinc/02/92/07/1050029207.db2.gz BOAFFIKUTHRTMR-QFIPXVFZSA-N 1 3 322.496 4.339 20 0 DIADHO CCN(Cc1ccc(C)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208951801 1050029215 /nfs/dbraw/zinc/02/92/15/1050029215.db2.gz BOAFFIKUTHRTMR-QFIPXVFZSA-N 1 3 322.496 4.339 20 0 DIADHO c1ccc(C[N@H+]2CC[C@H](CN3CC[C@H]4CCCC[C@H]4C3)C2)cc1 ZINC001208950318 1050030141 /nfs/dbraw/zinc/03/01/41/1050030141.db2.gz RXHQKRYBMCKDGH-HBMCJLEFSA-N 1 3 312.501 4.021 20 0 DIADHO c1ccc(C[N@@H+]2CC[C@H](CN3CC[C@H]4CCCC[C@H]4C3)C2)cc1 ZINC001208950318 1050030145 /nfs/dbraw/zinc/03/01/45/1050030145.db2.gz RXHQKRYBMCKDGH-HBMCJLEFSA-N 1 3 312.501 4.021 20 0 DIADHO C[C@@H]1c2ccccc2CCN1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208949931 1050030480 /nfs/dbraw/zinc/03/04/80/1050030480.db2.gz ZPWAFVWLGNWVMX-QUCCMNQESA-N 1 3 320.480 4.128 20 0 DIADHO C[C@@H]1c2ccccc2CCN1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208949931 1050030483 /nfs/dbraw/zinc/03/04/83/1050030483.db2.gz ZPWAFVWLGNWVMX-QUCCMNQESA-N 1 3 320.480 4.128 20 0 DIADHO Clc1ccccc1[C@@H]1CC[N@@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168391827 1050042452 /nfs/dbraw/zinc/04/24/52/1050042452.db2.gz OKQJTRPNJLSGOT-MRXNPFEDSA-N 1 3 318.892 4.004 20 0 DIADHO Clc1ccccc1[C@@H]1CC[N@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168391827 1050042460 /nfs/dbraw/zinc/04/24/60/1050042460.db2.gz OKQJTRPNJLSGOT-MRXNPFEDSA-N 1 3 318.892 4.004 20 0 DIADHO Cc1nc([C@H](C)NC2CCC([NH+]3CCCCC3)CC2)c(C)s1 ZINC000772877769 1050191051 /nfs/dbraw/zinc/19/10/51/1050191051.db2.gz XSVQFDOJKNLIIV-IGEOTXOUSA-N 1 3 321.534 4.208 20 0 DIADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171096620 1050338074 /nfs/dbraw/zinc/33/80/74/1050338074.db2.gz UPUICNGJKDXDMN-DNVCBOLYSA-N 1 3 320.908 4.051 20 0 DIADHO C[C@H](c1nc2ccccc2s1)N(C)CCCCCCC[NH3+] ZINC000844220300 1050373407 /nfs/dbraw/zinc/37/34/07/1050373407.db2.gz CSPQYXBGGYDWOX-CQSZACIVSA-N 1 3 305.491 4.198 20 0 DIADHO CC(C)CCC[C@H](C)N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001170071815 1050592746 /nfs/dbraw/zinc/59/27/46/1050592746.db2.gz VWONKUCHGYAUDQ-KRWDZBQOSA-N 1 3 320.496 4.376 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)N[C@@H]1COCc2cccc(Cl)c21 ZINC000788496715 1050691995 /nfs/dbraw/zinc/69/19/95/1050691995.db2.gz AOKOBUYHGNUEBH-WMLDXEAASA-N 1 3 324.896 4.011 20 0 DIADHO Cc1cc(C)c(CNCCC[N@@H+](C)Cc2ccccc2)cc1C ZINC000302796095 1050857882 /nfs/dbraw/zinc/85/78/82/1050857882.db2.gz VIULAFOUECHIGN-UHFFFAOYSA-N 1 3 310.485 4.224 20 0 DIADHO Cc1cc(C)c(CNCCC[N@H+](C)Cc2ccccc2)cc1C ZINC000302796095 1050857889 /nfs/dbraw/zinc/85/78/89/1050857889.db2.gz VIULAFOUECHIGN-UHFFFAOYSA-N 1 3 310.485 4.224 20 0 DIADHO COc1cccc([C@@H](C)C[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)c1 ZINC001171629532 1051173134 /nfs/dbraw/zinc/17/31/34/1051173134.db2.gz VYRCMSCYLBHYOZ-HNNXBMFYSA-N 1 3 318.505 4.040 20 0 DIADHO CN1C(C)(C)CC([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1(C)C ZINC001171628614 1051173177 /nfs/dbraw/zinc/17/31/77/1051173177.db2.gz CVAWVFVQQCKXAA-MRXNPFEDSA-N 1 3 320.908 4.048 20 0 DIADHO CN1C(C)(C)CC([NH2+]C2CC(c3ccccc3)C2)CC1(C)C ZINC001171623227 1051179603 /nfs/dbraw/zinc/17/96/03/1051179603.db2.gz PHSBBZRTONQVDH-UHFFFAOYSA-N 1 3 300.490 4.174 20 0 DIADHO C[NH+]1C(C)(C)CC(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1(C)C ZINC001171621073 1051179704 /nfs/dbraw/zinc/17/97/04/1051179704.db2.gz IVBNIQTXXPALSE-WMLDXEAASA-N 1 3 322.443 4.062 20 0 DIADHO Cc1ccc(CC[C@H](C)[NH+]2C(C)(C)CC(N)CC2(C)C)cc1 ZINC001171658850 1051185412 /nfs/dbraw/zinc/18/54/12/1051185412.db2.gz VSSZQYWHVZZQFP-INIZCTEOSA-N 1 3 302.506 4.296 20 0 DIADHO CN(CCc1ccc(Cl)cc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639268 1051195232 /nfs/dbraw/zinc/19/52/32/1051195232.db2.gz CAKDUMJNJMTXOH-UHFFFAOYSA-N 1 3 322.924 4.466 20 0 DIADHO CC[N@H+](Cc1cccc(OC)c1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171643504 1051196476 /nfs/dbraw/zinc/19/64/76/1051196476.db2.gz WBNYWMPDHDPBDQ-UHFFFAOYSA-N 1 3 318.505 4.169 20 0 DIADHO CC[N@@H+](Cc1cccc(OC)c1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171643504 1051196485 /nfs/dbraw/zinc/19/64/85/1051196485.db2.gz WBNYWMPDHDPBDQ-UHFFFAOYSA-N 1 3 318.505 4.169 20 0 DIADHO CN1C(C)(C)CC([N@H+]2CC=C(c3ccccc3)CC2)CC1(C)C ZINC001171643000 1051196891 /nfs/dbraw/zinc/19/68/91/1051196891.db2.gz OYJKSEYEOPILQD-UHFFFAOYSA-N 1 3 312.501 4.427 20 0 DIADHO CN1C(C)(C)CC([N@@H+]2CC=C(c3ccccc3)CC2)CC1(C)C ZINC001171643000 1051196899 /nfs/dbraw/zinc/19/68/99/1051196899.db2.gz OYJKSEYEOPILQD-UHFFFAOYSA-N 1 3 312.501 4.427 20 0 DIADHO C[NH+]1C(C)(C)CC(N2CC=C(c3ccccc3)CC2)CC1(C)C ZINC001171643000 1051196907 /nfs/dbraw/zinc/19/69/07/1051196907.db2.gz OYJKSEYEOPILQD-UHFFFAOYSA-N 1 3 312.501 4.427 20 0 DIADHO CC[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC001172101633 1051282238 /nfs/dbraw/zinc/28/22/38/1051282238.db2.gz GOMWURPSWILHAD-XMTFNYHQSA-N 1 3 306.881 4.396 20 0 DIADHO CC[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001172101633 1051282245 /nfs/dbraw/zinc/28/22/45/1051282245.db2.gz GOMWURPSWILHAD-XMTFNYHQSA-N 1 3 306.881 4.396 20 0 DIADHO Cc1occc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172063664 1051284578 /nfs/dbraw/zinc/28/45/78/1051284578.db2.gz CJFIRPZGGDDJGC-MZADTFQBSA-N 1 3 324.468 4.263 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)C2 ZINC001172108721 1051298285 /nfs/dbraw/zinc/29/82/85/1051298285.db2.gz YMKLSWURPDRSCU-BTTYYORXSA-N 1 3 313.272 4.098 20 0 DIADHO CCC[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC001172111155 1051300099 /nfs/dbraw/zinc/30/00/99/1051300099.db2.gz QKRZEFKLZPIEJJ-RDGPPVDQSA-N 1 3 304.453 4.272 20 0 DIADHO CCC[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC001172111155 1051300111 /nfs/dbraw/zinc/30/01/11/1051300111.db2.gz QKRZEFKLZPIEJJ-RDGPPVDQSA-N 1 3 304.453 4.272 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cccc3sccc31)C2 ZINC001172118276 1051304998 /nfs/dbraw/zinc/30/49/98/1051304998.db2.gz QVSLQWDXLNZPPE-PHZGNYQRSA-N 1 3 300.471 4.006 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cccc3sccc31)C2 ZINC001172118276 1051305003 /nfs/dbraw/zinc/30/50/03/1051305003.db2.gz QVSLQWDXLNZPPE-PHZGNYQRSA-N 1 3 300.471 4.006 20 0 DIADHO CC1(C)CC([NH2+]C2CCN(C3CCCCC3)CC2)CC(C)(C)O1 ZINC001172653718 1051472755 /nfs/dbraw/zinc/47/27/55/1051472755.db2.gz NHPOTFBNMVRUEN-UHFFFAOYSA-N 1 3 322.537 4.109 20 0 DIADHO CC(C)C[C@@H](Cc1ccccc1)N1CCC([NH3+])(CC2CC2)CC1 ZINC001169067660 1051504547 /nfs/dbraw/zinc/50/45/47/1051504547.db2.gz JFMDNVKYWJMOIO-FQEVSTJZSA-N 1 3 314.517 4.237 20 0 DIADHO C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)c1cc(Cl)cc(Cl)c1 ZINC001169101482 1051511106 /nfs/dbraw/zinc/51/11/06/1051511106.db2.gz SQAPFDRKIXSPSS-HGGPSHQYSA-N 1 3 313.272 4.269 20 0 DIADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(-c3ccsc3)cc1)C2 ZINC001169100521 1051512451 /nfs/dbraw/zinc/51/24/51/1051512451.db2.gz KJPVKZOVSBGPFF-LDLYASANSA-N 1 3 312.482 4.130 20 0 DIADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(c1cccs1)c1cccs1)C2 ZINC001169124967 1051523726 /nfs/dbraw/zinc/52/37/26/1051523726.db2.gz UVALPBVHCYSHBN-BTTYYORXSA-N 1 3 318.511 4.114 20 0 DIADHO CC[NH+]1CCC(N[C@H](CC2CCC2)c2cccc(F)c2)CC1 ZINC001169240890 1051561679 /nfs/dbraw/zinc/56/16/79/1051561679.db2.gz MSNQBPPHLLYDJH-LJQANCHMSA-N 1 3 304.453 4.131 20 0 DIADHO [NH3+][C@H]1CCN(Cc2ccc(/C=C/c3ccccc3)cc2)CC[C@@H]1F ZINC001206185418 1051588931 /nfs/dbraw/zinc/58/89/31/1051588931.db2.gz NOFVMTCUUMSCMM-RHKQXDRASA-N 1 3 324.443 4.118 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001168456893 1051592053 /nfs/dbraw/zinc/59/20/53/1051592053.db2.gz ZIFDGJQIWYXCKE-OXJNMPFZSA-N 1 3 314.448 4.039 20 0 DIADHO CC[NH+](CC)C1CCC(N[C@@H](C)c2c(F)cccc2F)CC1 ZINC001173108144 1051609874 /nfs/dbraw/zinc/60/98/74/1051609874.db2.gz YNVZXQJVCIPUKX-NFOMZHRRSA-N 1 3 310.432 4.268 20 0 DIADHO CC[NH+](CC)C1CCC(N(C)Cc2ccc(F)cc2F)CC1 ZINC001173113049 1051611944 /nfs/dbraw/zinc/61/19/44/1051611944.db2.gz HHCZMCIONQYOOJ-UHFFFAOYSA-N 1 3 310.432 4.050 20 0 DIADHO C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccc(Cl)c(Cl)c1 ZINC000256049220 1051618923 /nfs/dbraw/zinc/61/89/23/1051618923.db2.gz YYCBATNHNWCKMI-DEQVHRJGSA-N 1 3 313.272 4.269 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H](N)C1 ZINC001173204039 1051626795 /nfs/dbraw/zinc/62/67/95/1051626795.db2.gz BZGSZXKEQRJMQJ-YLJYHZDGSA-N 1 3 308.469 4.020 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H](N)C1 ZINC001173204039 1051626803 /nfs/dbraw/zinc/62/68/03/1051626803.db2.gz BZGSZXKEQRJMQJ-YLJYHZDGSA-N 1 3 308.469 4.020 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H](N)C1 ZINC001173204035 1051626962 /nfs/dbraw/zinc/62/69/62/1051626962.db2.gz BZGSZXKEQRJMQJ-FXAWDEMLSA-N 1 3 308.469 4.020 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H](N)C1 ZINC001173204035 1051626968 /nfs/dbraw/zinc/62/69/68/1051626968.db2.gz BZGSZXKEQRJMQJ-FXAWDEMLSA-N 1 3 308.469 4.020 20 0 DIADHO CCc1ccc(C[C@H](C)N2CCC([NH3+])(CC3CCC3)CC2)cc1 ZINC001173248819 1051653764 /nfs/dbraw/zinc/65/37/64/1051653764.db2.gz IKXLOZJAOHVNHY-KRWDZBQOSA-N 1 3 314.517 4.164 20 0 DIADHO CCc1ccc(C[C@@H](C)[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)cc1 ZINC001173236766 1051671412 /nfs/dbraw/zinc/67/14/12/1051671412.db2.gz AJWSEKHUSZBCOY-MRXNPFEDSA-N 1 3 316.533 4.421 20 0 DIADHO CC[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001173273696 1051671451 /nfs/dbraw/zinc/67/14/51/1051671451.db2.gz OXFJVIKCEXTZKX-VQIMIIECSA-N 1 3 318.480 4.206 20 0 DIADHO CCc1ccc(C[C@H](C)[NH2+]C2CCN(C(CC)CC)CC2)cc1 ZINC001173237929 1051673242 /nfs/dbraw/zinc/67/32/42/1051673242.db2.gz GPXFHJVGQRPHQP-KRWDZBQOSA-N 1 3 316.533 4.423 20 0 DIADHO CCc1ccc(C[C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC001173242877 1051676016 /nfs/dbraw/zinc/67/60/16/1051676016.db2.gz XKRJYYUSLCFWDO-KRWDZBQOSA-N 1 3 314.517 4.177 20 0 DIADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCCC4(CCCCC4)C3)C[C@@H]2C1 ZINC001173348697 1051706509 /nfs/dbraw/zinc/70/65/09/1051706509.db2.gz KRSIAAKNRNRAQG-CEXWTWQISA-N 1 3 304.522 4.153 20 0 DIADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCCC4(CCCCC4)C3)C[C@@H]2C1 ZINC001173348697 1051706514 /nfs/dbraw/zinc/70/65/14/1051706514.db2.gz KRSIAAKNRNRAQG-CEXWTWQISA-N 1 3 304.522 4.153 20 0 DIADHO CN(C1CC1)C1CC[NH+]([C@@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173347844 1051706659 /nfs/dbraw/zinc/70/66/59/1051706659.db2.gz BYBMZWULLBNUPZ-LJQANCHMSA-N 1 3 304.522 4.438 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)N1CCC(C)([NH3+])CC1 ZINC001173549767 1051749163 /nfs/dbraw/zinc/74/91/63/1051749163.db2.gz IKLJAMZSFFFEQT-GFCCVEGCSA-N 1 3 315.288 4.128 20 0 DIADHO c1ccc(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000307315399 1051860989 /nfs/dbraw/zinc/86/09/89/1051860989.db2.gz IUJRBTMHBYXRIZ-NRFANRHFSA-N 1 3 308.469 4.079 20 0 DIADHO c1ccc(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)cc1 ZINC000307315671 1051861452 /nfs/dbraw/zinc/86/14/52/1051861452.db2.gz IUJRBTMHBYXRIZ-OAQYLSRUSA-N 1 3 308.469 4.079 20 0 DIADHO CN(Cc1ccc(Cl)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000768170260 1051891954 /nfs/dbraw/zinc/89/19/54/1051891954.db2.gz NDHJRSJBBMBMGO-UHFFFAOYSA-N 1 3 302.849 4.034 20 0 DIADHO C(C[NH2+]C1CCN(C2CCCCC2)CC1)COC1CCCCC1 ZINC000162982573 1051895790 /nfs/dbraw/zinc/89/57/90/1051895790.db2.gz JDFGLDCCNDLGDM-UHFFFAOYSA-N 1 3 322.537 4.113 20 0 DIADHO CCc1ccccc1C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000310273012 1052262786 /nfs/dbraw/zinc/26/27/86/1052262786.db2.gz UAVFBVWKSMPLCJ-AVRDEDQJSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1ccccc1CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310273012 1052262790 /nfs/dbraw/zinc/26/27/90/1052262790.db2.gz UAVFBVWKSMPLCJ-AVRDEDQJSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1ccccc1CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310273012 1052262796 /nfs/dbraw/zinc/26/27/96/1052262796.db2.gz UAVFBVWKSMPLCJ-AVRDEDQJSA-N 1 3 322.496 4.249 20 0 DIADHO Cc1c(CN2CC[C@]3(C2)CCC[NH2+]C3)cccc1-c1ccccc1 ZINC001222154667 1052453144 /nfs/dbraw/zinc/45/31/44/1052453144.db2.gz PHFJIRPJXWJLRF-JOCHJYFZSA-N 1 3 320.480 4.238 20 0 DIADHO Cc1cc(CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(C)s1 ZINC001222162080 1052454203 /nfs/dbraw/zinc/45/42/03/1052454203.db2.gz XJADLAPTQGMAPX-GOSISDBHSA-N 1 3 306.519 4.111 20 0 DIADHO c1cc2ccc(CN3CCC[C@@]34CCC[NH2+]CC4)cc2s1 ZINC001222320590 1052481866 /nfs/dbraw/zinc/48/18/66/1052481866.db2.gz KVVGOYPMHWHRKH-GOSISDBHSA-N 1 3 300.471 4.009 20 0 DIADHO CSc1cccc(Cl)c1CN1CCC2(CCC[NH2+]C2)CC1 ZINC001222457170 1052501879 /nfs/dbraw/zinc/50/18/79/1052501879.db2.gz CDSJAJKCYLSQHP-UHFFFAOYSA-N 1 3 324.921 4.028 20 0 DIADHO CC(C)c1cc(CN2CCC3(CCC[NH2+]C3)CC2)ccc1Cl ZINC001222461656 1052503010 /nfs/dbraw/zinc/50/30/10/1052503010.db2.gz YAANHYMJJZAMSW-UHFFFAOYSA-N 1 3 320.908 4.429 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(F)c(C)c1 ZINC000064845542 1052651560 /nfs/dbraw/zinc/65/15/60/1052651560.db2.gz UEEPYXMTYZYWEF-UHFFFAOYSA-N 1 3 314.448 4.266 20 0 DIADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)c2cc3c(s2)CCC3)C1 ZINC000125863583 1052656370 /nfs/dbraw/zinc/65/63/70/1052656370.db2.gz UERMLNNJTMUWLX-GJZGRUSLSA-N 1 3 306.519 4.008 20 0 DIADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)c2cc3c(s2)CCC3)C1 ZINC000125863583 1052656373 /nfs/dbraw/zinc/65/63/73/1052656373.db2.gz UERMLNNJTMUWLX-GJZGRUSLSA-N 1 3 306.519 4.008 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2cc3c(s2)CCC3)C1 ZINC000125863583 1052656376 /nfs/dbraw/zinc/65/63/76/1052656376.db2.gz UERMLNNJTMUWLX-GJZGRUSLSA-N 1 3 306.519 4.008 20 0 DIADHO C[C@@H](c1cccc(F)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000615454955 1053018021 /nfs/dbraw/zinc/01/80/21/1053018021.db2.gz BYBYIWBQCPRLBY-KRWDZBQOSA-N 1 3 318.480 4.475 20 0 DIADHO CC[NH+](CC)C[C@@H](C)Oc1ccc2ccccc2c1CN(C)C ZINC001228440165 1053104180 /nfs/dbraw/zinc/10/41/80/1053104180.db2.gz ABDFILYKWJVCCO-MRXNPFEDSA-N 1 3 314.473 4.011 20 0 DIADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2cc(Cl)cc(Cl)c2)C1 ZINC001319199012 1053227339 /nfs/dbraw/zinc/22/73/39/1053227339.db2.gz LSXLBOYEXKSXIR-OLZOCXBDSA-N 1 3 315.288 4.376 20 0 DIADHO CC[N@H+](C)Cc1cccc(CNCc2csc(C)c2C)c1 ZINC001200243640 1053494053 /nfs/dbraw/zinc/49/40/53/1053494053.db2.gz LPGDFXQMKAHKRS-UHFFFAOYSA-N 1 3 302.487 4.106 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CNCc2csc(C)c2C)c1 ZINC001200243640 1053494066 /nfs/dbraw/zinc/49/40/66/1053494066.db2.gz LPGDFXQMKAHKRS-UHFFFAOYSA-N 1 3 302.487 4.106 20 0 DIADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccc(-c3ccccc3)o2)C1 ZINC001322631682 1053529336 /nfs/dbraw/zinc/52/93/36/1053529336.db2.gz BVGZMJTUJSTVKV-SJORKVTESA-N 1 3 312.457 4.329 20 0 DIADHO CCN(C[C@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000262535917 1053577243 /nfs/dbraw/zinc/57/72/43/1053577243.db2.gz QHVHGAUJFNASPZ-KBPBESRZSA-N 1 3 314.395 4.088 20 0 DIADHO C[N@H+](Cc1cc2cnccc2[nH]1)Cc1cccc2ccccc21 ZINC001232015031 1053942268 /nfs/dbraw/zinc/94/22/68/1053942268.db2.gz QTKSLLRJGPUKLD-UHFFFAOYSA-N 1 3 301.393 4.348 20 0 DIADHO C[N@@H+](Cc1cc2cnccc2[nH]1)Cc1cccc2ccccc21 ZINC001232015031 1053942281 /nfs/dbraw/zinc/94/22/81/1053942281.db2.gz QTKSLLRJGPUKLD-UHFFFAOYSA-N 1 3 301.393 4.348 20 0 DIADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CCC3(C2)CCCCC3)c1 ZINC001232151064 1053971404 /nfs/dbraw/zinc/97/14/04/1053971404.db2.gz LCNKIKFDJOVPFQ-UHFFFAOYSA-N 1 3 304.453 4.044 20 0 DIADHO CN(C)Cc1cc(F)cc(C[N@H+]2CCC3(C2)CCCCC3)c1 ZINC001232151064 1053971416 /nfs/dbraw/zinc/97/14/16/1053971416.db2.gz LCNKIKFDJOVPFQ-UHFFFAOYSA-N 1 3 304.453 4.044 20 0 DIADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC001232145950 1053972978 /nfs/dbraw/zinc/97/29/78/1053972978.db2.gz FUDZWBFZOAZHEQ-IEBWSBKVSA-N 1 3 304.453 4.042 20 0 DIADHO CN(C)Cc1cc(F)cc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC001232145950 1053972981 /nfs/dbraw/zinc/97/29/81/1053972981.db2.gz FUDZWBFZOAZHEQ-IEBWSBKVSA-N 1 3 304.453 4.042 20 0 DIADHO C[C@H](CN[C@@H](C)c1cccc(-c2ccncc2)c1)C[NH+]1CCCC1 ZINC000165342641 1054076090 /nfs/dbraw/zinc/07/60/90/1054076090.db2.gz ZIQTVSVPAKZSDJ-MSOLQXFVSA-N 1 3 323.484 4.131 20 0 DIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc3c(c2)CCC3)c1 ZINC001341867333 1054410693 /nfs/dbraw/zinc/41/06/93/1054410693.db2.gz BIGCDKLOQHUEOJ-UHFFFAOYSA-N 1 3 322.496 4.305 20 0 DIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc3c(c2)CCC3)c1 ZINC001341867333 1054410697 /nfs/dbraw/zinc/41/06/97/1054410697.db2.gz BIGCDKLOQHUEOJ-UHFFFAOYSA-N 1 3 322.496 4.305 20 0 DIADHO Cc1cc([C@H](C)[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c(C)o1 ZINC000336717460 1054444112 /nfs/dbraw/zinc/44/41/12/1054444112.db2.gz QLJMVAUBNWNIQV-QFBILLFUSA-N 1 3 312.457 4.069 20 0 DIADHO Cc1sccc1CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000339293408 1054495933 /nfs/dbraw/zinc/49/59/33/1054495933.db2.gz MYETZFMHPYFXLC-KXBFYZLASA-N 1 3 314.498 4.199 20 0 DIADHO Cc1sccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000339293408 1054495936 /nfs/dbraw/zinc/49/59/36/1054495936.db2.gz MYETZFMHPYFXLC-KXBFYZLASA-N 1 3 314.498 4.199 20 0 DIADHO c1ccc2c(c1)sc1c2cccc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC001235030633 1054644609 /nfs/dbraw/zinc/64/46/09/1054644609.db2.gz BHUGTTNGQROHNY-FQEVSTJZSA-N 1 3 322.477 4.240 20 0 DIADHO c1ccc(CCC2CC[NH+](Cc3ccc4c(c3)CNC4)CC2)cc1 ZINC001235675126 1054772223 /nfs/dbraw/zinc/77/22/23/1054772223.db2.gz JFDYHUOTEAWYCN-UHFFFAOYSA-N 1 3 320.480 4.135 20 0 DIADHO CSc1cccc(Cl)c1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235889021 1054831461 /nfs/dbraw/zinc/83/14/61/1054831461.db2.gz UJBLQQAHFZHLPX-MRXNPFEDSA-N 1 3 324.921 4.026 20 0 DIADHO C[C@H]1CC[C@@H](N)C[N@@H+]1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001235908539 1054844005 /nfs/dbraw/zinc/84/40/05/1054844005.db2.gz YFSBDJZRIJWFLJ-DOTOQJQBSA-N 1 3 319.452 4.147 20 0 DIADHO C[C@H]1CC[C@@H](N)C[N@H+]1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001235908539 1054844018 /nfs/dbraw/zinc/84/40/18/1054844018.db2.gz YFSBDJZRIJWFLJ-DOTOQJQBSA-N 1 3 319.452 4.147 20 0 DIADHO Cc1cccc(C)c1-c1cccc(CN2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235943875 1054862397 /nfs/dbraw/zinc/86/23/97/1054862397.db2.gz ZONFUKXHMXWKDH-SFTDATJTSA-N 1 3 320.480 4.012 20 0 DIADHO CC(C)[N@H+](CCN)Cc1ccc(-c2ccccc2Cl)cc1 ZINC001235946950 1054863831 /nfs/dbraw/zinc/86/38/31/1054863831.db2.gz FBWBRGPJWAJABS-UHFFFAOYSA-N 1 3 302.849 4.176 20 0 DIADHO CC(C)[N@@H+](CCN)Cc1ccc(-c2ccccc2Cl)cc1 ZINC001235946950 1054863838 /nfs/dbraw/zinc/86/38/38/1054863838.db2.gz FBWBRGPJWAJABS-UHFFFAOYSA-N 1 3 302.849 4.176 20 0 DIADHO CN(CCC1CC[NH2+]CC1)Cc1sc2ccccc2c1Cl ZINC001235947958 1054864180 /nfs/dbraw/zinc/86/41/80/1054864180.db2.gz ILKDHAFIMJRNBQ-UHFFFAOYSA-N 1 3 322.905 4.376 20 0 DIADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+](C)C[C@H]1CCCNC1 ZINC001235950843 1054866832 /nfs/dbraw/zinc/86/68/32/1054866832.db2.gz NWUVJWKQSLDZQY-MJGOQNOKSA-N 1 3 316.533 4.094 20 0 DIADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)C[C@H]1CCCNC1 ZINC001235950843 1054866841 /nfs/dbraw/zinc/86/68/41/1054866841.db2.gz NWUVJWKQSLDZQY-MJGOQNOKSA-N 1 3 316.533 4.094 20 0 DIADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(C(F)(F)F)c1 ZINC000624119755 1054883246 /nfs/dbraw/zinc/88/32/46/1054883246.db2.gz IWBWSSHDSOFLFM-KGLIPLIRSA-N 1 3 314.395 4.088 20 0 DIADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(-c2ccncc2)cc1 ZINC000624121167 1054883285 /nfs/dbraw/zinc/88/32/85/1054883285.db2.gz PMJUQUDFKBNKSM-ROUUACIJSA-N 1 3 323.484 4.131 20 0 DIADHO Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@]3(N)C2)cc(C)c1-c1ccc(F)cc1 ZINC001235989019 1054883772 /nfs/dbraw/zinc/88/37/72/1054883772.db2.gz BOAPPUYQQFHZBC-GHTZIAJQSA-N 1 3 324.443 4.033 20 0 DIADHO Cc1cc(C[N@H+]2C[C@@H]3CC[C@@]3(N)C2)cc(C)c1-c1ccc(F)cc1 ZINC001235989019 1054883776 /nfs/dbraw/zinc/88/37/76/1054883776.db2.gz BOAPPUYQQFHZBC-GHTZIAJQSA-N 1 3 324.443 4.033 20 0 DIADHO CN1CCCC[C@@H](C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000624122486 1054885348 /nfs/dbraw/zinc/88/53/48/1054885348.db2.gz SGMUULPPBNPZMO-JXFKEZNVSA-N 1 3 316.464 4.083 20 0 DIADHO [NH3+][C@@H]1CCc2c1cccc2-c1cccc(CN2CCCCC2)c1F ZINC001236016101 1054901023 /nfs/dbraw/zinc/90/10/23/1054901023.db2.gz TXKRJWWYTDDILN-HXUWFJFHSA-N 1 3 324.443 4.425 20 0 DIADHO C[C@@H]1C[C@H](N)C[N@H+](Cc2ccccc2-c2ccc(Cl)cc2)C1 ZINC001236051344 1054916845 /nfs/dbraw/zinc/91/68/45/1054916845.db2.gz WAXMOXSRLCARTO-KDOFPFPSSA-N 1 3 314.860 4.176 20 0 DIADHO C[C@@H]1C[C@H](N)C[N@@H+](Cc2ccccc2-c2ccc(Cl)cc2)C1 ZINC001236051344 1054916859 /nfs/dbraw/zinc/91/68/59/1054916859.db2.gz WAXMOXSRLCARTO-KDOFPFPSSA-N 1 3 314.860 4.176 20 0 DIADHO CSc1ccccc1[C@@H]1CCCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001236108186 1054952180 /nfs/dbraw/zinc/95/21/80/1054952180.db2.gz JQPNPBUSCXCQRG-IBGZPJMESA-N 1 3 324.493 4.349 20 0 DIADHO COc1ccc(-c2cccc(C[N@H+](C)[C@@H]3CCCC[C@H]3N)c2)cc1 ZINC001236216263 1055005513 /nfs/dbraw/zinc/00/55/13/1055005513.db2.gz JWOLOAXIADOPDH-NHCUHLMSSA-N 1 3 324.468 4.064 20 0 DIADHO COc1ccc(-c2cccc(C[N@@H+](C)[C@@H]3CCCC[C@H]3N)c2)cc1 ZINC001236216263 1055005527 /nfs/dbraw/zinc/00/55/27/1055005527.db2.gz JWOLOAXIADOPDH-NHCUHLMSSA-N 1 3 324.468 4.064 20 0 DIADHO COc1ccc(-c2ccccc2)c(C[N@H+](C)[C@H]2CCCC[C@@H]2N)c1 ZINC001236215404 1055005630 /nfs/dbraw/zinc/00/56/30/1055005630.db2.gz HVBJAPFINJRSPR-SFTDATJTSA-N 1 3 324.468 4.064 20 0 DIADHO COc1ccc(-c2ccccc2)c(C[N@@H+](C)[C@H]2CCCC[C@@H]2N)c1 ZINC001236215404 1055005643 /nfs/dbraw/zinc/00/56/43/1055005643.db2.gz HVBJAPFINJRSPR-SFTDATJTSA-N 1 3 324.468 4.064 20 0 DIADHO C[N@H+](Cc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCC[C@@H]1N ZINC001236216581 1055007127 /nfs/dbraw/zinc/00/71/27/1055007127.db2.gz KLOKHJGJWXTOSC-VQTJNVASSA-N 1 3 312.432 4.194 20 0 DIADHO C[N@@H+](Cc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCC[C@@H]1N ZINC001236216581 1055007137 /nfs/dbraw/zinc/00/71/37/1055007137.db2.gz KLOKHJGJWXTOSC-VQTJNVASSA-N 1 3 312.432 4.194 20 0 DIADHO Cn1c2ccccc2c2cc(C[N@H+](C)[C@H]3CCCC[C@H]3N)ccc21 ZINC001236219200 1055011009 /nfs/dbraw/zinc/01/10/09/1055011009.db2.gz VQCGSDUNJHUGOA-NQIIRXRSSA-N 1 3 321.468 4.033 20 0 DIADHO Cn1c2ccccc2c2cc(C[N@@H+](C)[C@H]3CCCC[C@H]3N)ccc21 ZINC001236219200 1055011021 /nfs/dbraw/zinc/01/10/21/1055011021.db2.gz VQCGSDUNJHUGOA-NQIIRXRSSA-N 1 3 321.468 4.033 20 0 DIADHO [NH3+]C1(c2cccc(-c3ccc(CN4CCCCC4)c(F)c3)c2)CC1 ZINC001236252105 1055034921 /nfs/dbraw/zinc/03/49/21/1055034921.db2.gz YVUQEHRLMTUPMR-UHFFFAOYSA-N 1 3 324.443 4.426 20 0 DIADHO CCN(CCC1CC[NH2+]CC1)Cc1ccc(Cl)cc1Cl ZINC001236265703 1055045056 /nfs/dbraw/zinc/04/50/56/1055045056.db2.gz KIRUKBOFPQFDGA-UHFFFAOYSA-N 1 3 315.288 4.205 20 0 DIADHO Fc1cccc(CCC[N@H+](C[C@@H]2CCCNC2)C2CCCC2)c1 ZINC001236370447 1055076528 /nfs/dbraw/zinc/07/65/28/1055076528.db2.gz FXZIWLUQZJLJJH-GOSISDBHSA-N 1 3 318.480 4.003 20 0 DIADHO Fc1cccc(CCC[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)c1 ZINC001236370447 1055076538 /nfs/dbraw/zinc/07/65/38/1055076538.db2.gz FXZIWLUQZJLJJH-GOSISDBHSA-N 1 3 318.480 4.003 20 0 DIADHO Fc1ccccc1CCC[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236371260 1055080263 /nfs/dbraw/zinc/08/02/63/1055080263.db2.gz JFIMARBTYFEWIN-KRWDZBQOSA-N 1 3 318.480 4.003 20 0 DIADHO Fc1ccccc1CCC[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236371260 1055080276 /nfs/dbraw/zinc/08/02/76/1055080276.db2.gz JFIMARBTYFEWIN-KRWDZBQOSA-N 1 3 318.480 4.003 20 0 DIADHO Fc1cc(Cl)cc(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236376930 1055083506 /nfs/dbraw/zinc/08/35/06/1055083506.db2.gz WCZKUMBRZIREQQ-AWEZNQCLSA-N 1 3 324.871 4.223 20 0 DIADHO C[C@H]([NH2+]CCc1ccccc1Cl)[C@@H]1CCCN(C2CCC2)C1 ZINC000185724183 1055096475 /nfs/dbraw/zinc/09/64/75/1055096475.db2.gz XFSVBNHXSGBQIZ-DOTOQJQBSA-N 1 3 320.908 4.125 20 0 DIADHO C[C@@H]([NH2+]CCc1ccccc1Cl)[C@H]1CCCN(C2CCC2)C1 ZINC000185724230 1055097196 /nfs/dbraw/zinc/09/71/96/1055097196.db2.gz XFSVBNHXSGBQIZ-WBVHZDCISA-N 1 3 320.908 4.125 20 0 DIADHO CCN(Cc1cccc2c3ccccc3sc21)C[C@H]1CC[NH2+]C1 ZINC001236407424 1055098676 /nfs/dbraw/zinc/09/86/76/1055098676.db2.gz FHXJLRXFUDZXIE-HNNXBMFYSA-N 1 3 324.493 4.486 20 0 DIADHO CCN(Cc1cccc2c3ccccc3oc21)C[C@H]1CC[NH2+]C1 ZINC001236410342 1055102234 /nfs/dbraw/zinc/10/22/34/1055102234.db2.gz YZANKUCFWMJAIO-HNNXBMFYSA-N 1 3 308.425 4.017 20 0 DIADHO CC(C)C[NH2+]Cc1ccc(-c2ccc(CN(C)C3CC3)cn2)cc1 ZINC001236428767 1055111006 /nfs/dbraw/zinc/11/10/06/1055111006.db2.gz GAHMMYMNTJDHQW-UHFFFAOYSA-N 1 3 323.484 4.088 20 0 DIADHO CC(C)C[NH2+]Cc1ccc(-c2cnccc2/C=C/N(C)C)cc1 ZINC001236448278 1055117960 /nfs/dbraw/zinc/11/79/60/1055117960.db2.gz SJPKXHIALKNGHD-ZRDIBKRKSA-N 1 3 309.457 4.027 20 0 DIADHO CCC[C@@H](C)C[N@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236454346 1055122201 /nfs/dbraw/zinc/12/22/01/1055122201.db2.gz YCOZIQOGPJJHEF-OAHLLOKOSA-N 1 3 308.897 4.330 20 0 DIADHO CCC[C@@H](C)C[N@@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236454346 1055122207 /nfs/dbraw/zinc/12/22/07/1055122207.db2.gz YCOZIQOGPJJHEF-OAHLLOKOSA-N 1 3 308.897 4.330 20 0 DIADHO CC(C)(C)CC[N@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236453544 1055122645 /nfs/dbraw/zinc/12/26/45/1055122645.db2.gz RURKRWDUEBVDLS-UHFFFAOYSA-N 1 3 308.897 4.330 20 0 DIADHO CC(C)(C)CC[N@@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236453544 1055122648 /nfs/dbraw/zinc/12/26/48/1055122648.db2.gz RURKRWDUEBVDLS-UHFFFAOYSA-N 1 3 308.897 4.330 20 0 DIADHO CC(C)(C)CCN(Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236453544 1055122651 /nfs/dbraw/zinc/12/26/51/1055122651.db2.gz RURKRWDUEBVDLS-UHFFFAOYSA-N 1 3 308.897 4.330 20 0 DIADHO CCC[C@H](C)C[N@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236454344 1055122898 /nfs/dbraw/zinc/12/28/98/1055122898.db2.gz YCOZIQOGPJJHEF-HNNXBMFYSA-N 1 3 308.897 4.330 20 0 DIADHO CCC[C@H](C)C[N@@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236454344 1055122901 /nfs/dbraw/zinc/12/29/01/1055122901.db2.gz YCOZIQOGPJJHEF-HNNXBMFYSA-N 1 3 308.897 4.330 20 0 DIADHO CC(C)Oc1ccc(C[N@H+](CC(C)(C)C)C2CCNCC2)cc1 ZINC001236457810 1055125275 /nfs/dbraw/zinc/12/52/75/1055125275.db2.gz OEZYDWKNSLJOGH-UHFFFAOYSA-N 1 3 318.505 4.074 20 0 DIADHO CC(C)Oc1ccc(C[N@@H+](CC(C)(C)C)C2CCNCC2)cc1 ZINC001236457810 1055125282 /nfs/dbraw/zinc/12/52/82/1055125282.db2.gz OEZYDWKNSLJOGH-UHFFFAOYSA-N 1 3 318.505 4.074 20 0 DIADHO CC(C)Oc1ccc(CN(CC(C)(C)C)C2CC[NH2+]CC2)cc1 ZINC001236457810 1055125290 /nfs/dbraw/zinc/12/52/90/1055125290.db2.gz OEZYDWKNSLJOGH-UHFFFAOYSA-N 1 3 318.505 4.074 20 0 DIADHO Cc1cc(F)cc(C)c1C[N@H+](CC(C)(C)C)C1CCNCC1 ZINC001236459462 1055126212 /nfs/dbraw/zinc/12/62/12/1055126212.db2.gz PNONJSQZNUPYSJ-UHFFFAOYSA-N 1 3 306.469 4.043 20 0 DIADHO Cc1cc(F)cc(C)c1C[N@@H+](CC(C)(C)C)C1CCNCC1 ZINC001236459462 1055126217 /nfs/dbraw/zinc/12/62/17/1055126217.db2.gz PNONJSQZNUPYSJ-UHFFFAOYSA-N 1 3 306.469 4.043 20 0 DIADHO Cc1ccc(F)c(CN(C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1Cl ZINC001236572837 1055195518 /nfs/dbraw/zinc/19/55/18/1055195518.db2.gz UWYDFDKRUBVULC-CTYIDZIISA-N 1 3 324.871 4.412 20 0 DIADHO C[C@@H](C[N@H+](C[C@@H]1CCCNC1)C1CC1)c1cccc2ccccc21 ZINC001236584448 1055198656 /nfs/dbraw/zinc/19/86/56/1055198656.db2.gz CFEIUCBSEKADME-ZWKOTPCHSA-N 1 3 322.496 4.407 20 0 DIADHO C[C@@H](C[N@@H+](C[C@@H]1CCCNC1)C1CC1)c1cccc2ccccc21 ZINC001236584448 1055198671 /nfs/dbraw/zinc/19/86/71/1055198671.db2.gz CFEIUCBSEKADME-ZWKOTPCHSA-N 1 3 322.496 4.407 20 0 DIADHO C[C@@H](CN(C[C@@H]1CCC[NH2+]C1)C1CC1)c1cccc2ccccc21 ZINC001236584448 1055198680 /nfs/dbraw/zinc/19/86/80/1055198680.db2.gz CFEIUCBSEKADME-ZWKOTPCHSA-N 1 3 322.496 4.407 20 0 DIADHO C[C@H](C[N@H+](C[C@@H]1CCCNC1)C1CC1)c1cccc2ccccc21 ZINC001236584444 1055198833 /nfs/dbraw/zinc/19/88/33/1055198833.db2.gz CFEIUCBSEKADME-QZTJIDSGSA-N 1 3 322.496 4.407 20 0 DIADHO C[C@H](C[N@@H+](C[C@@H]1CCCNC1)C1CC1)c1cccc2ccccc21 ZINC001236584444 1055198838 /nfs/dbraw/zinc/19/88/38/1055198838.db2.gz CFEIUCBSEKADME-QZTJIDSGSA-N 1 3 322.496 4.407 20 0 DIADHO C[C@H](CN(C[C@@H]1CCC[NH2+]C1)C1CC1)c1cccc2ccccc21 ZINC001236584444 1055198842 /nfs/dbraw/zinc/19/88/42/1055198842.db2.gz CFEIUCBSEKADME-QZTJIDSGSA-N 1 3 322.496 4.407 20 0 DIADHO Cc1ccc(CN(C[C@H]2CCC[NH2+]C2)C2CC2)c2ccccc12 ZINC001236598246 1055200637 /nfs/dbraw/zinc/20/06/37/1055200637.db2.gz JGJOXOZSFGZKFX-KRWDZBQOSA-N 1 3 308.469 4.112 20 0 DIADHO c1ccc(-c2ccccc2CN(C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001236598210 1055201256 /nfs/dbraw/zinc/20/12/56/1055201256.db2.gz ILBAHRVFEXZJDE-SFHVURJKSA-N 1 3 320.480 4.318 20 0 DIADHO C[C@]1(C[NH3+])CCN(Cc2ccc(-c3ccccc3Cl)cc2)C1 ZINC001236604852 1055203329 /nfs/dbraw/zinc/20/33/29/1055203329.db2.gz PWSCRPRWHRXCEX-LJQANCHMSA-N 1 3 314.860 4.178 20 0 DIADHO C[C@]1(CN)CC[N@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001236604314 1055203503 /nfs/dbraw/zinc/20/35/03/1055203503.db2.gz LUTVLDQOXUANOK-LJQANCHMSA-N 1 3 310.466 4.225 20 0 DIADHO C[C@]1(CN)CC[N@@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001236604314 1055203509 /nfs/dbraw/zinc/20/35/09/1055203509.db2.gz LUTVLDQOXUANOK-LJQANCHMSA-N 1 3 310.466 4.225 20 0 DIADHO Cc1cccc(C)c1-c1cccc(CN2CC[C@](C)(C[NH3+])C2)c1 ZINC001236617920 1055206910 /nfs/dbraw/zinc/20/69/10/1055206910.db2.gz YRDAFQRJJNJSLV-OAQYLSRUSA-N 1 3 308.469 4.141 20 0 DIADHO c1ccc(-c2ccc(CN(C3CCC3)C3CC[NH2+]CC3)cc2)cc1 ZINC001236634323 1055207970 /nfs/dbraw/zinc/20/79/70/1055207970.db2.gz RPYNILVBWNTEGQ-UHFFFAOYSA-N 1 3 320.480 4.460 20 0 DIADHO c1ccc(-c2ccc(C[N@H+](C3CCC3)C3CCNCC3)cc2)cc1 ZINC001236634323 1055207978 /nfs/dbraw/zinc/20/79/78/1055207978.db2.gz RPYNILVBWNTEGQ-UHFFFAOYSA-N 1 3 320.480 4.460 20 0 DIADHO c1ccc(-c2ccc(C[N@@H+](C3CCC3)C3CCNCC3)cc2)cc1 ZINC001236634323 1055207988 /nfs/dbraw/zinc/20/79/88/1055207988.db2.gz RPYNILVBWNTEGQ-UHFFFAOYSA-N 1 3 320.480 4.460 20 0 DIADHO c1cc2cccc(C[N@H+]3CCCC[C@H]3CCN3CCCC3)c2o1 ZINC001236731732 1055245948 /nfs/dbraw/zinc/24/59/48/1055245948.db2.gz FEUFMWXZOBHCKV-IBGZPJMESA-N 1 3 312.457 4.273 20 0 DIADHO c1cc2cccc(C[N@@H+]3CCCC[C@H]3CCN3CCCC3)c2o1 ZINC001236731732 1055245958 /nfs/dbraw/zinc/24/59/58/1055245958.db2.gz FEUFMWXZOBHCKV-IBGZPJMESA-N 1 3 312.457 4.273 20 0 DIADHO c1cc2cccc(CN3CCCC[C@H]3CC[NH+]3CCCC3)c2o1 ZINC001236731732 1055245972 /nfs/dbraw/zinc/24/59/72/1055245972.db2.gz FEUFMWXZOBHCKV-IBGZPJMESA-N 1 3 312.457 4.273 20 0 DIADHO c1cc2c(cccc2C[N@H+]2CCCC[C@H]2CCN2CCCC2)o1 ZINC001236742424 1055248848 /nfs/dbraw/zinc/24/88/48/1055248848.db2.gz DFEMBOCEGVIDMJ-SFHVURJKSA-N 1 3 312.457 4.273 20 0 DIADHO c1cc2c(cccc2C[N@@H+]2CCCC[C@H]2CCN2CCCC2)o1 ZINC001236742424 1055248861 /nfs/dbraw/zinc/24/88/61/1055248861.db2.gz DFEMBOCEGVIDMJ-SFHVURJKSA-N 1 3 312.457 4.273 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc2occc21 ZINC001236739716 1055249096 /nfs/dbraw/zinc/24/90/96/1055249096.db2.gz OVJRBOQCVQEJOZ-ZWKOTPCHSA-N 1 3 312.457 4.272 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc2occc21 ZINC001236739716 1055249114 /nfs/dbraw/zinc/24/91/14/1055249114.db2.gz OVJRBOQCVQEJOZ-ZWKOTPCHSA-N 1 3 312.457 4.272 20 0 DIADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cccc2occc21 ZINC001236739716 1055249129 /nfs/dbraw/zinc/24/91/29/1055249129.db2.gz OVJRBOQCVQEJOZ-ZWKOTPCHSA-N 1 3 312.457 4.272 20 0 DIADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cccc2occc21 ZINC001236739716 1055249142 /nfs/dbraw/zinc/24/91/42/1055249142.db2.gz OVJRBOQCVQEJOZ-ZWKOTPCHSA-N 1 3 312.457 4.272 20 0 DIADHO CCCN(Cc1cccc(-c2ccsc2)c1)C[C@@H]1CC[NH2+]C1 ZINC001236834891 1055283307 /nfs/dbraw/zinc/28/33/07/1055283307.db2.gz JLCQFBSXLJWWIM-QGZVFWFLSA-N 1 3 314.498 4.237 20 0 DIADHO c1sc2ccccc2c1C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC001236947778 1055315520 /nfs/dbraw/zinc/31/55/20/1055315520.db2.gz BNLNOAOOBZZUDE-OAHLLOKOSA-N 1 3 314.498 4.080 20 0 DIADHO C[C@@]1(C[NH3+])CCCN(Cc2ccc(C3CCCCC3)cc2)C1 ZINC001237080155 1055363472 /nfs/dbraw/zinc/36/34/72/1055363472.db2.gz DETDTSHZPZCESR-FQEVSTJZSA-N 1 3 300.490 4.295 20 0 DIADHO CC1=C[C@H](C)[C@@H](CN2Cc3ccccc3C23CC[NH2+]CC3)CC1 ZINC001237301767 1055421335 /nfs/dbraw/zinc/42/13/35/1055421335.db2.gz ZTZXUCMPGYFALJ-ZWKOTPCHSA-N 1 3 310.485 4.073 20 0 DIADHO CC[NH+](CC)CCC[C@@H](C)NCc1c(F)cccc1Cl ZINC000021517358 1055523919 /nfs/dbraw/zinc/52/39/19/1055523919.db2.gz VEPFHFQBGSXHEJ-CYBMUJFWSA-N 1 3 300.849 4.079 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CNCc1cc(C)cc(C)c1 ZINC000057626243 1055784590 /nfs/dbraw/zinc/78/45/90/1055784590.db2.gz QZIWBBVDEDVMKF-UHFFFAOYSA-N 1 3 310.485 4.435 20 0 DIADHO CN1CCCC[C@@H](C[NH2+]Cc2ccc(C3CC3)c(C3CC3)c2)C1 ZINC001621006516 1055974796 /nfs/dbraw/zinc/97/47/96/1055974796.db2.gz LEHBPGDEMNBUOE-KRWDZBQOSA-N 1 3 312.501 4.263 20 0 DIADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)C1CCC(C(F)(F)F)CC1 ZINC000474814180 1056358250 /nfs/dbraw/zinc/35/82/50/1056358250.db2.gz BOLAARKYGKYATL-WVTZPBJPSA-N 1 3 320.443 4.206 20 0 DIADHO Fc1c(Cl)cccc1CNC1CCC([NH+]2CCCCC2)CC1 ZINC001620825356 1056397494 /nfs/dbraw/zinc/39/74/94/1056397494.db2.gz PHNYMUARQVEBRN-UHFFFAOYSA-N 1 3 324.871 4.366 20 0 DIADHO Cc1cc(C)c(C[NH2+]C2CCN(C3CCCC3)CC2)c(C)c1 ZINC001620827842 1056510157 /nfs/dbraw/zinc/51/01/57/1056510157.db2.gz BJQNMYUXEJUOSP-UHFFFAOYSA-N 1 3 300.490 4.108 20 0 DIADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(F)cc2)CC1 ZINC001615867207 1056588156 /nfs/dbraw/zinc/58/81/56/1056588156.db2.gz FECUXNNARNYJDQ-QGZVFWFLSA-N 1 3 318.480 4.302 20 0 DIADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(F)cc2)CC1 ZINC001615867207 1056588163 /nfs/dbraw/zinc/58/81/63/1056588163.db2.gz FECUXNNARNYJDQ-QGZVFWFLSA-N 1 3 318.480 4.302 20 0 DIADHO CN1CCC[C@@H]1CC[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC001616382374 1056646540 /nfs/dbraw/zinc/64/65/40/1056646540.db2.gz KJDVDABZAPZJNF-WOJBJXKFSA-N 1 3 300.490 4.382 20 0 DIADHO CCc1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000065976628 1056817351 /nfs/dbraw/zinc/81/73/51/1056817351.db2.gz AWKAFWWIMGLOEC-UHFFFAOYSA-N 1 3 310.485 4.379 20 0 DIADHO CCc1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000065976628 1056817366 /nfs/dbraw/zinc/81/73/66/1056817366.db2.gz AWKAFWWIMGLOEC-UHFFFAOYSA-N 1 3 310.485 4.379 20 0 DIADHO CCN(CC)CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC001617473387 1056839318 /nfs/dbraw/zinc/83/93/18/1056839318.db2.gz FLYVNXNAEWQYNR-ACDBMABISA-N 1 3 300.490 4.129 20 0 DIADHO CCN(CC)CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC001617473387 1056839324 /nfs/dbraw/zinc/83/93/24/1056839324.db2.gz FLYVNXNAEWQYNR-ACDBMABISA-N 1 3 300.490 4.129 20 0 DIADHO CC[NH+](CC)CCCN1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC001617473387 1056839333 /nfs/dbraw/zinc/83/93/33/1056839333.db2.gz FLYVNXNAEWQYNR-ACDBMABISA-N 1 3 300.490 4.129 20 0 DIADHO c1ccc([C@H]2CC[C@H]2[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000657717245 1057009035 /nfs/dbraw/zinc/00/90/35/1057009035.db2.gz YCFSNBAENTYMFD-NHCUHLMSSA-N 1 3 312.501 4.319 20 0 DIADHO c1ccc([C@H]2CC[C@H]2NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000657717245 1057009040 /nfs/dbraw/zinc/00/90/40/1057009040.db2.gz YCFSNBAENTYMFD-NHCUHLMSSA-N 1 3 312.501 4.319 20 0 DIADHO CCc1ccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000483210989 1057105154 /nfs/dbraw/zinc/10/51/54/1057105154.db2.gz FQJZNYACCOSCIH-UHFFFAOYSA-N 1 3 314.517 4.178 20 0 DIADHO CCc1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000483210989 1057105159 /nfs/dbraw/zinc/10/51/59/1057105159.db2.gz FQJZNYACCOSCIH-UHFFFAOYSA-N 1 3 314.517 4.178 20 0 DIADHO Cc1cc(C)c(-c2ccccc2CN2CCC([NH3+])CC2)cc1C ZINC001241634912 1057116303 /nfs/dbraw/zinc/11/63/03/1057116303.db2.gz ADUSWMHKDKRQLL-UHFFFAOYSA-N 1 3 308.469 4.202 20 0 DIADHO C[C@@H](c1ccc2ccccc2c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675499913 1057384642 /nfs/dbraw/zinc/38/46/42/1057384642.db2.gz UAARBSCPQOMBGP-KRWDZBQOSA-N 1 3 317.436 4.118 20 0 DIADHO C[C@H](c1ccc2ccccc2c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675499914 1057384889 /nfs/dbraw/zinc/38/48/89/1057384889.db2.gz UAARBSCPQOMBGP-QGZVFWFLSA-N 1 3 317.436 4.118 20 0 DIADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000766166461 1057534138 /nfs/dbraw/zinc/53/41/38/1057534138.db2.gz SDGHZGBKDONIHY-DYEKYZERSA-N 1 3 314.445 4.135 20 0 DIADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(SC(F)F)cc1 ZINC000766166461 1057534141 /nfs/dbraw/zinc/53/41/41/1057534141.db2.gz SDGHZGBKDONIHY-DYEKYZERSA-N 1 3 314.445 4.135 20 0 DIADHO CCN(CC)Cc1cccc(-c2cccc(C[NH2+]C)c2)c1F ZINC001242999274 1057541083 /nfs/dbraw/zinc/54/10/83/1057541083.db2.gz HCYRJCBPELKCIE-UHFFFAOYSA-N 1 3 300.421 4.054 20 0 DIADHO CCN(CC)Cc1cc(-c2cccc(C[NH2+]C)c2)ccc1F ZINC001242999066 1057541107 /nfs/dbraw/zinc/54/11/07/1057541107.db2.gz DDPHSVXPPZTLBF-UHFFFAOYSA-N 1 3 300.421 4.054 20 0 DIADHO C[NH+]1CCC(c2ccc(-c3cc(N4CCCC4)ccn3)cc2)CC1 ZINC001243651967 1057744258 /nfs/dbraw/zinc/74/42/58/1057744258.db2.gz AFXBRKRLFLOEQZ-UHFFFAOYSA-N 1 3 321.468 4.158 20 0 DIADHO c1ccc([C@@H]2C[C@@H](N[C@@H](c3ccncc3)C3CCC3)CC[NH2+]2)cc1 ZINC001550351848 1058340396 /nfs/dbraw/zinc/34/03/96/1058340396.db2.gz SLDUAVMSHINFEF-PCCBWWKXSA-N 1 3 321.468 4.006 20 0 DIADHO Fc1cccc(Cl)c1CCN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246076807 1058667803 /nfs/dbraw/zinc/66/78/03/1058667803.db2.gz PTAWVVRSAKNJHX-AWEZNQCLSA-N 1 3 324.871 4.066 20 0 DIADHO [NH3+]C[C@@H](NC1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC001246077219 1058668030 /nfs/dbraw/zinc/66/80/30/1058668030.db2.gz QWDHTDXTBSDLOP-DQVLVPHSSA-N 1 3 308.469 4.078 20 0 DIADHO c1ccc(C[C@@H]2C[C@@H](N[C@@H](c3ccccc3)C3CC3)CC[NH2+]2)cc1 ZINC001246082349 1058671322 /nfs/dbraw/zinc/67/13/22/1058671322.db2.gz VSPHHQMOESULDM-BDTNDASRSA-N 1 3 320.480 4.091 20 0 DIADHO c1ccc(C[C@@H]2C[C@@H]([NH2+][C@@H](c3ccccc3)C3CC3)CCN2)cc1 ZINC001246082349 1058671332 /nfs/dbraw/zinc/67/13/32/1058671332.db2.gz VSPHHQMOESULDM-BDTNDASRSA-N 1 3 320.480 4.091 20 0 DIADHO [NH3+]C[C@H](NC1CCC2(CCc3ccccc32)CC1)c1ccccc1 ZINC001246078089 1058671418 /nfs/dbraw/zinc/67/14/18/1058671418.db2.gz GHYUGUKBEOHQPD-IRQNMHNUSA-N 1 3 320.480 4.103 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246111425 1058680329 /nfs/dbraw/zinc/68/03/29/1058680329.db2.gz OUUDEHPQRZLKMZ-DBXWQHBBSA-N 1 3 322.496 4.327 20 0 DIADHO C[C@@H]1C[C@@H]([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)CCN1 ZINC001246112335 1058681049 /nfs/dbraw/zinc/68/10/49/1058681049.db2.gz RGIIVEGENSFFOW-YPCVUPECSA-N 1 3 306.881 4.096 20 0 DIADHO C[C@@H]1CC([NH2+]CCc2ccc(Oc3ccccc3)cc2)C[C@@H](C)N1 ZINC001246160412 1058701635 /nfs/dbraw/zinc/70/16/35/1058701635.db2.gz SXRSEAPSPUFMQY-IAGOWNOFSA-N 1 3 324.468 4.140 20 0 DIADHO CCCC[C@@H]1C[C@H](NC2(c3ccccc3)CCCC2)CC[NH2+]1 ZINC001246173934 1058716563 /nfs/dbraw/zinc/71/65/63/1058716563.db2.gz BGHHEXRCOCGEFK-RTBURBONSA-N 1 3 300.490 4.356 20 0 DIADHO CC[C@@H]1CC(NCCCOc2ccc(Cl)cc2)C[C@@H](CC)[NH2+]1 ZINC001246175870 1058718254 /nfs/dbraw/zinc/71/82/54/1058718254.db2.gz GQKIVKNMBRIMFV-HZPDHXFCSA-N 1 3 324.896 4.008 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccc(Cl)cc2)CCN1 ZINC001246177013 1058719307 /nfs/dbraw/zinc/71/93/07/1058719307.db2.gz BTONBSKWSHRMQM-IRXDYDNUSA-N 1 3 322.924 4.417 20 0 DIADHO Cc1cc(F)ccc1[C@H]1C[C@H](NC/C=C/c2ccccc2)CC[NH2+]1 ZINC001246177628 1058723926 /nfs/dbraw/zinc/72/39/26/1058723926.db2.gz CJGJSAXMAKZCSL-UHVLJITJSA-N 1 3 324.443 4.230 20 0 DIADHO c1ccc(C2(C[NH2+][C@H]3CCNC4(CCC4)C3)CCCCC2)cc1 ZINC001246180556 1058726234 /nfs/dbraw/zinc/72/62/34/1058726234.db2.gz SVDQOLBIYVJYAC-IBGZPJMESA-N 1 3 312.501 4.153 20 0 DIADHO c1ccc(C[C@@H]2C[C@H]([NH2+]Cc3ccccc3C3CC3)CCN2)cc1 ZINC001246187804 1058729970 /nfs/dbraw/zinc/72/99/70/1058729970.db2.gz GTLWTMUNBBNWKC-NHCUHLMSSA-N 1 3 320.480 4.017 20 0 DIADHO c1ccc(C[C@@H]2C[C@@H]([NH2+]Cc3ccccc3C3CC3)CCN2)cc1 ZINC001246187803 1058730407 /nfs/dbraw/zinc/73/04/07/1058730407.db2.gz GTLWTMUNBBNWKC-LEWJYISDSA-N 1 3 320.480 4.017 20 0 DIADHO CCC(CC)(N[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)c1ccccc1 ZINC001246186253 1058730825 /nfs/dbraw/zinc/73/08/25/1058730825.db2.gz YHQXIJFHFUMMFK-ZWKOTPCHSA-N 1 3 302.506 4.458 20 0 DIADHO CC[C@H]1C[C@@H](NC2(c3ccccc3)CCCCCC2)CC[NH2+]1 ZINC001246192830 1058735269 /nfs/dbraw/zinc/73/52/69/1058735269.db2.gz COJKXYABEUPWMT-OALUTQOASA-N 1 3 300.490 4.356 20 0 DIADHO C[C@@H]1CC([NH2+]C(C)(C)Cc2ccc3ccccc3c2)C[C@@H](C)N1 ZINC001246190534 1058735879 /nfs/dbraw/zinc/73/58/79/1058735879.db2.gz FSULDEPCYBVETA-HZPDHXFCSA-N 1 3 310.485 4.280 20 0 DIADHO CCCc1ccc(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC001246229816 1058752893 /nfs/dbraw/zinc/75/28/93/1058752893.db2.gz LSOYGQMYXISTMA-NHCUHLMSSA-N 1 3 308.469 4.222 20 0 DIADHO CC[C@@H]1C[C@@H]([NH2+]CCC(c2ccccc2)c2ccccc2)CCN1 ZINC001246233407 1058757787 /nfs/dbraw/zinc/75/77/87/1058757787.db2.gz JSQPWWIDIYTVKC-RTWAWAEBSA-N 1 3 322.496 4.329 20 0 DIADHO CCC[C@H](N[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246239728 1058760059 /nfs/dbraw/zinc/76/00/59/1058760059.db2.gz LDMOFXCKOBTOGB-FSSWDIPSSA-N 1 3 322.496 4.481 20 0 DIADHO CCC[C@H]([NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246239728 1058760077 /nfs/dbraw/zinc/76/00/77/1058760077.db2.gz LDMOFXCKOBTOGB-FSSWDIPSSA-N 1 3 322.496 4.481 20 0 DIADHO Cc1ccc(C(C)(C)[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246237869 1058760990 /nfs/dbraw/zinc/76/09/90/1058760990.db2.gz JICAEOXYRHKQHT-LEWJYISDSA-N 1 3 322.496 4.183 20 0 DIADHO Cc1ccc(C(C)(C)[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246237870 1058761614 /nfs/dbraw/zinc/76/16/14/1058761614.db2.gz JICAEOXYRHKQHT-NHCUHLMSSA-N 1 3 322.496 4.183 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]CC(C)(C)CN ZINC001246248999 1058767640 /nfs/dbraw/zinc/76/76/40/1058767640.db2.gz IEVFCQKGHPLZLS-QGZVFWFLSA-N 1 3 310.485 4.172 20 0 DIADHO C[NH2+]C1CCC(N[C@H](C)c2c(Cl)cccc2Cl)CC1 ZINC001246252279 1058772016 /nfs/dbraw/zinc/77/20/16/1058772016.db2.gz HGVGQVVAYJJGJV-VOMCLLRMSA-N 1 3 301.261 4.175 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH2+]CCCc2cccc(Cl)c2)CCN1 ZINC001246254902 1058774554 /nfs/dbraw/zinc/77/45/54/1058774554.db2.gz AJUUIWUONPJRAW-ROUUACIJSA-N 1 3 308.897 4.173 20 0 DIADHO C[C@@H]1CC([NH2+]CCCc2ccc(Cl)cc2Cl)C[C@@H](C)N1 ZINC001246255512 1058778143 /nfs/dbraw/zinc/77/81/43/1058778143.db2.gz LPNXMGRLDFIRPF-VXGBXAGGSA-N 1 3 315.288 4.045 20 0 DIADHO c1ccc(C[C@H]2C[C@H](N[C@@H](c3ccccc3)C3CC3)CC[NH2+]2)cc1 ZINC001246274514 1058788286 /nfs/dbraw/zinc/78/82/86/1058788286.db2.gz VSPHHQMOESULDM-FSSWDIPSSA-N 1 3 320.480 4.091 20 0 DIADHO c1ccc(C[C@H]2C[C@H]([NH2+][C@@H](c3ccccc3)C3CC3)CCN2)cc1 ZINC001246274514 1058788305 /nfs/dbraw/zinc/78/83/05/1058788305.db2.gz VSPHHQMOESULDM-FSSWDIPSSA-N 1 3 320.480 4.091 20 0 DIADHO C[C@H](Cc1ccc(Cl)cc1Cl)NCC1([NH3+])CCCCC1 ZINC001246280330 1058794435 /nfs/dbraw/zinc/79/44/35/1058794435.db2.gz SZCHMYFGASGKJB-GFCCVEGCSA-N 1 3 315.288 4.176 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H](N[C@@H](c2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246294564 1058805402 /nfs/dbraw/zinc/80/54/02/1058805402.db2.gz XHUXQWKQTKHOGT-FHWLQOOXSA-N 1 3 300.490 4.284 20 0 DIADHO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246298217 1058811139 /nfs/dbraw/zinc/81/11/39/1058811139.db2.gz UPJKFQLTEJRMHI-JRGCBEDISA-N 1 3 308.469 4.009 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)N[C@H]1CCC[NH2+][C@@H]1C ZINC001246325231 1058836677 /nfs/dbraw/zinc/83/66/77/1058836677.db2.gz ITWFCPKBJQSBDW-HSMVNMDESA-N 1 3 315.288 4.045 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)N[C@H]1C[NH2+]CC[C@@H]1C ZINC001246334069 1058842801 /nfs/dbraw/zinc/84/28/01/1058842801.db2.gz XYBUIWYEHOGWSK-SVMVAKDDSA-N 1 3 322.496 4.185 20 0 DIADHO Fc1ccc(C2(NC3CCCCCCC3)CC[NH2+]CC2)cc1 ZINC001246335359 1058844491 /nfs/dbraw/zinc/84/44/91/1058844491.db2.gz HZEJCALXMDTOMP-UHFFFAOYSA-N 1 3 304.453 4.107 20 0 DIADHO CCCCC(CCCC)[NH2+]C[C@H]1CCN[C@H]1c1cccnc1 ZINC001246340689 1058846164 /nfs/dbraw/zinc/84/61/64/1058846164.db2.gz MVGXFFIAFUOJDU-MJGOQNOKSA-N 1 3 303.494 4.071 20 0 DIADHO CC[C@H](CC(C)C)NC1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001246339286 1058848920 /nfs/dbraw/zinc/84/89/20/1058848920.db2.gz DCXTXRXRWRIWCW-QGZVFWFLSA-N 1 3 308.897 4.333 20 0 DIADHO CCCCC(CCCC)[NH2+]C[C@H]1CCN[C@@H]1c1cccnc1 ZINC001246340688 1058849574 /nfs/dbraw/zinc/84/95/74/1058849574.db2.gz MVGXFFIAFUOJDU-IEBWSBKVSA-N 1 3 303.494 4.071 20 0 DIADHO CC1(C)CCC[C@H](NC2(c3ccc(Cl)cc3)CC[NH2+]CC2)C1 ZINC001246343466 1058851490 /nfs/dbraw/zinc/85/14/90/1058851490.db2.gz VCWNLYARQDZUQD-KRWDZBQOSA-N 1 3 320.908 4.477 20 0 DIADHO CC(C)c1ccc(CCN[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1 ZINC001246345127 1058856691 /nfs/dbraw/zinc/85/66/91/1058856691.db2.gz UUYRVTMQTVDBHA-RBUKOAKNSA-N 1 3 302.506 4.109 20 0 DIADHO c1ccc([C@H]2C[C@H](NCc3cccc(C4CC4)c3)CC[NH2+]2)cc1 ZINC001246361817 1058870150 /nfs/dbraw/zinc/87/01/50/1058870150.db2.gz JPPHADNNSHLGQC-NHCUHLMSSA-N 1 3 306.453 4.147 20 0 DIADHO CC(C)CC1([NH2+][C@H]2CCNC3(CCC3)C2)CCC(F)(F)CC1 ZINC001246366891 1058874267 /nfs/dbraw/zinc/87/42/67/1058874267.db2.gz KSROMGKFQPTYII-HNNXBMFYSA-N 1 3 314.464 4.245 20 0 DIADHO C[C@H]1CCC[C@@H]([NH2+]C2(c3ccccc3Cl)CCNCC2)C1 ZINC001246375296 1058877750 /nfs/dbraw/zinc/87/77/50/1058877750.db2.gz OABLBKIVPMQHLO-LSDHHAIUSA-N 1 3 306.881 4.087 20 0 DIADHO CCCCC(CCCC)[NH2+]C1(Cc2ccccn2)CCNCC1 ZINC001246373378 1058879893 /nfs/dbraw/zinc/87/98/93/1058879893.db2.gz YBYAAJPKIBVSGT-UHFFFAOYSA-N 1 3 317.521 4.085 20 0 DIADHO C[C@H]1C[C@H]([NH2+]C2(c3ccccc3Cl)CCNCC2)C[C@@H](C)C1 ZINC001246374821 1058880915 /nfs/dbraw/zinc/88/09/15/1058880915.db2.gz MCKURBPAIYNNAR-ZSHCYNCHSA-N 1 3 320.908 4.333 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3C)CC2)CCN1 ZINC001246383377 1058886433 /nfs/dbraw/zinc/88/64/33/1058886433.db2.gz ITLPHGACKANCHB-UXHICEINSA-N 1 3 314.517 4.218 20 0 DIADHO CC[C@@H](C)C[C@@H](CC)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246381924 1058887493 /nfs/dbraw/zinc/88/74/93/1058887493.db2.gz UTSMYKHEVAFXNV-SJLPKXTDSA-N 1 3 320.496 4.295 20 0 DIADHO c1ccc([C@H]2CCC[C@H]([NH2+]C3(CC4CC4)CCNCC3)C2)cc1 ZINC001246382689 1058889310 /nfs/dbraw/zinc/88/93/10/1058889310.db2.gz ZMLKZRODOPYPBQ-PMACEKPBSA-N 1 3 312.501 4.225 20 0 DIADHO Cc1ccc(CC(C)(C)C[NH2+][C@@H]2CCN[C@@H](C(C)(C)C)C2)cc1 ZINC001246382998 1058890443 /nfs/dbraw/zinc/89/04/43/1058890443.db2.gz GSXKMZDZUQNVAX-RTBURBONSA-N 1 3 316.533 4.320 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)CCN1 ZINC001246389884 1058891517 /nfs/dbraw/zinc/89/15/17/1058891517.db2.gz LPSZVSOAGLOYIZ-MOPGFXCFSA-N 1 3 318.480 4.049 20 0 DIADHO C[C@H]1CCC[C@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)C1 ZINC001246388750 1058891897 /nfs/dbraw/zinc/89/18/97/1058891897.db2.gz GMSSVOZJNBTHJF-YJBOKZPZSA-N 1 3 320.908 4.173 20 0 DIADHO CCCCCC[C@@H](C)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246387058 1058892504 /nfs/dbraw/zinc/89/25/04/1058892504.db2.gz ASUZDFLNHPIUNC-QGZVFWFLSA-N 1 3 320.496 4.439 20 0 DIADHO C(C1CC1)C1([NH2+]C2CCC3(CCCCC3)CC2)CCNCC1 ZINC001246386643 1058894138 /nfs/dbraw/zinc/89/41/38/1058894138.db2.gz ILINXNMBCTYJQQ-UHFFFAOYSA-N 1 3 304.522 4.391 20 0 DIADHO CC(C)CCC[C@H](C)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246390677 1058895430 /nfs/dbraw/zinc/89/54/30/1058895430.db2.gz LYUSBOHAFPTLDA-KRWDZBQOSA-N 1 3 320.496 4.295 20 0 DIADHO CC(C)CC[C@H](C)[NH2+]C1(Cc2ccc(Cl)cc2)CCNCC1 ZINC001246394333 1058898541 /nfs/dbraw/zinc/89/85/41/1058898541.db2.gz ROXPYKOZTZOHQB-INIZCTEOSA-N 1 3 322.924 4.419 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCCCc2ccc(Cl)cc2)CCN1 ZINC001246411415 1058914946 /nfs/dbraw/zinc/91/49/46/1058914946.db2.gz DDYOWGLEUCRNRU-ZWKOTPCHSA-N 1 3 322.924 4.419 20 0 DIADHO CCC1([NH2+][C@H](C)Cc2ccc(Cl)cc2Cl)CCNCC1 ZINC001246424754 1058920645 /nfs/dbraw/zinc/92/06/45/1058920645.db2.gz TUILPNOICOXSTA-GFCCVEGCSA-N 1 3 315.288 4.046 20 0 DIADHO CC(C)C[C@H](C)C[C@@H](C)NC1(c2ccccc2)CC[NH2+]CC1 ZINC001246427026 1058921962 /nfs/dbraw/zinc/92/19/62/1058921962.db2.gz AYPCACYYXOYVGD-ZWKOTPCHSA-N 1 3 302.506 4.316 20 0 DIADHO CCC[C@@H](CC)[NH2+]C1(Cc2cccc(Cl)c2)CCNCC1 ZINC001246428495 1058922592 /nfs/dbraw/zinc/92/25/92/1058922592.db2.gz KXDBNQDTIWQQSL-QGZVFWFLSA-N 1 3 308.897 4.173 20 0 DIADHO CCCC[C@@H](C)[NH2+]C1(Cc2cccc(Cl)c2)CCNCC1 ZINC001246428635 1058922901 /nfs/dbraw/zinc/92/29/01/1058922901.db2.gz LKMJAOQSXZLEAZ-OAHLLOKOSA-N 1 3 308.897 4.173 20 0 DIADHO CC[C@@H](C)C[C@H](CC)NC1(c2cccc(F)c2)CC[NH2+]CC1 ZINC001246434104 1058927838 /nfs/dbraw/zinc/92/78/38/1058927838.db2.gz AKOIXKIGJVDVSH-QAPCUYQASA-N 1 3 306.469 4.209 20 0 DIADHO CC[C@H]1CC(NC2(Cc3ccccc3F)CCC2)C[C@H](CC)[NH2+]1 ZINC001246433898 1058928286 /nfs/dbraw/zinc/92/82/86/1058928286.db2.gz KTBBOSBTYCHPCQ-IRXDYDNUSA-N 1 3 318.480 4.190 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH2+]CC(C)(C)Cc2ccc(F)cc2)CCN1 ZINC001246434770 1058929722 /nfs/dbraw/zinc/92/97/22/1058929722.db2.gz YJSZZPGSLHRCKM-OALUTQOASA-N 1 3 320.496 4.295 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+]CC(C)(C)Cc2ccccc2C)CCN1 ZINC001246435447 1058931875 /nfs/dbraw/zinc/93/18/75/1058931875.db2.gz QPKJADORHXWZIH-UXHICEINSA-N 1 3 316.533 4.464 20 0 DIADHO CCCC[C@H](CCC)NC1(c2cccc(F)c2)CC[NH2+]CC1 ZINC001246437896 1058932109 /nfs/dbraw/zinc/93/21/09/1058932109.db2.gz ORAQARCDWGUHQF-SFHVURJKSA-N 1 3 306.469 4.353 20 0 DIADHO C[C@@H]1CC[C@@H](NC2(c3cccc(Cl)c3)CC[NH2+]CC2)C[C@H]1C ZINC001246439113 1058932191 /nfs/dbraw/zinc/93/21/91/1058932191.db2.gz UKIRABOSIZPFEX-IIDMSEBBSA-N 1 3 320.908 4.333 20 0 DIADHO CC(C)=CCC[C@@H](C)[NH2+]C1(c2ccccc2F)CCNCC1 ZINC001246439547 1058933999 /nfs/dbraw/zinc/93/39/99/1058933999.db2.gz YVYQNKLKCPVFHM-MRXNPFEDSA-N 1 3 304.453 4.129 20 0 DIADHO CC[C@H]1CC(NCC2(Cc3ccccc3F)CC2)C[C@H](CC)[NH2+]1 ZINC001246440420 1058934222 /nfs/dbraw/zinc/93/42/22/1058934222.db2.gz SXBBXWPISWEBLQ-IRXDYDNUSA-N 1 3 318.480 4.047 20 0 DIADHO FC(F)(F)[C@H]1CCC[C@H]([NH2+]C2(CC3CCC3)CCNCC2)C1 ZINC001246446017 1058937412 /nfs/dbraw/zinc/93/74/12/1058937412.db2.gz JQUOLJOGGRXFFJ-GJZGRUSLSA-N 1 3 318.427 4.010 20 0 DIADHO CC1(C)CCC[C@H]([NH2+]C2(Cc3cccc(F)c3)CCNCC2)C1 ZINC001246449628 1058938289 /nfs/dbraw/zinc/93/82/89/1058938289.db2.gz AHSOASHTODWIGK-SFHVURJKSA-N 1 3 318.480 4.049 20 0 DIADHO C[C@@H](Cc1ccccc1Cl)[NH2+]C1(CC2CCC2)CCNCC1 ZINC001246447068 1058938819 /nfs/dbraw/zinc/93/88/19/1058938819.db2.gz NUJIOHZNJFQGSR-HNNXBMFYSA-N 1 3 320.908 4.173 20 0 DIADHO Cc1ccc(C2(N[C@H]3CCC[NH2+]CC3)CCC(F)(F)CC2)cc1 ZINC001246456257 1058943576 /nfs/dbraw/zinc/94/35/76/1058943576.db2.gz KIUVOUFTOOLMFT-KRWDZBQOSA-N 1 3 322.443 4.131 20 0 DIADHO Cc1ccc(C2(N[C@@H]3CCC[NH2+]CC3)CCC(F)(F)CC2)cc1 ZINC001246456258 1058945530 /nfs/dbraw/zinc/94/55/30/1058945530.db2.gz KIUVOUFTOOLMFT-QGZVFWFLSA-N 1 3 322.443 4.131 20 0 DIADHO CCC[C@@H](N[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246461520 1058950267 /nfs/dbraw/zinc/95/02/67/1058950267.db2.gz LDMOFXCKOBTOGB-BHIFYINESA-N 1 3 322.496 4.481 20 0 DIADHO CCC[C@@H]([NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246461520 1058950287 /nfs/dbraw/zinc/95/02/87/1058950287.db2.gz LDMOFXCKOBTOGB-BHIFYINESA-N 1 3 322.496 4.481 20 0 DIADHO CCC[C@@H](N[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246461519 1058950795 /nfs/dbraw/zinc/95/07/95/1058950795.db2.gz LDMOFXCKOBTOGB-BHDDXSALSA-N 1 3 322.496 4.481 20 0 DIADHO CCC[C@@H]([NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246461519 1058950814 /nfs/dbraw/zinc/95/08/14/1058950814.db2.gz LDMOFXCKOBTOGB-BHDDXSALSA-N 1 3 322.496 4.481 20 0 DIADHO C[C@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CCNCC2)CC(C)(C)C1 ZINC001246467803 1058952228 /nfs/dbraw/zinc/95/22/28/1058952228.db2.gz UPAQFTYFKHVWGL-HKUYNNGSSA-N 1 3 314.517 4.156 20 0 DIADHO CCCC[C@@H](CC)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246467957 1058952557 /nfs/dbraw/zinc/95/25/57/1058952557.db2.gz WHUBRSRIBIQNMB-GOSISDBHSA-N 1 3 306.469 4.049 20 0 DIADHO CCCC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCc3ccccc32)CCN1 ZINC001246466193 1058954489 /nfs/dbraw/zinc/95/44/89/1058954489.db2.gz NXDMIPQXHXKVEA-QRVBRYPASA-N 1 3 300.490 4.007 20 0 DIADHO CCCCC[C@@H](CC)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246469975 1058956855 /nfs/dbraw/zinc/95/68/55/1058956855.db2.gz YBURDIRKJOWJGG-LJQANCHMSA-N 1 3 302.506 4.300 20 0 DIADHO CC[C@@H]1CC(N[C@H]2CCCCc3ccccc32)C[C@@H](CC)[NH2+]1 ZINC001246496562 1058969449 /nfs/dbraw/zinc/96/94/49/1058969449.db2.gz JRXVUWRWFIUYPD-HLIPFELVSA-N 1 3 300.490 4.353 20 0 DIADHO CC[C@@H]1C[C@H](N[C@@H]2CCCCc3ccccc32)C[C@H](CC)[NH2+]1 ZINC001246496558 1058971154 /nfs/dbraw/zinc/97/11/54/1058971154.db2.gz JRXVUWRWFIUYPD-DOADOZAASA-N 1 3 300.490 4.353 20 0 DIADHO c1ccc2c(c1)CCCC[C@@H]2N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246499487 1058973675 /nfs/dbraw/zinc/97/36/75/1058973675.db2.gz ZLWJVIJWXDPKIZ-ICSRJNTNSA-N 1 3 312.501 4.499 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H](N[C@@H]2CCCCc3ccccc32)CC[NH2+]1 ZINC001246498474 1058975683 /nfs/dbraw/zinc/97/56/83/1058975683.db2.gz RTQHKFFKLCBGKL-QRQLOZEOSA-N 1 3 300.490 4.210 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)C(C)(C)C)CCN1 ZINC001246518636 1058980931 /nfs/dbraw/zinc/98/09/31/1058980931.db2.gz HOJZGRATIYJFIL-ROUUACIJSA-N 1 3 302.506 4.454 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C(C)(C)C)CCN1 ZINC001246518636 1058980949 /nfs/dbraw/zinc/98/09/49/1058980949.db2.gz HOJZGRATIYJFIL-ROUUACIJSA-N 1 3 302.506 4.454 20 0 DIADHO Clc1ccc([C@@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3)C2CC2)cc1 ZINC001246516965 1058981194 /nfs/dbraw/zinc/98/11/94/1058981194.db2.gz XFXXFRORPBHWFY-MANSERQUSA-N 1 3 318.892 4.096 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([N@H+](Cc2ccccc2)C(C)(C)C)CCN1 ZINC001246518632 1058982374 /nfs/dbraw/zinc/98/23/74/1058982374.db2.gz HOJZGRATIYJFIL-MSOLQXFVSA-N 1 3 302.506 4.454 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)C(C)(C)C)CCN1 ZINC001246518632 1058982393 /nfs/dbraw/zinc/98/23/93/1058982393.db2.gz HOJZGRATIYJFIL-MSOLQXFVSA-N 1 3 302.506 4.454 20 0 DIADHO CC[C@H]1C[C@H]([NH+]2CCC(CCCc3ccccc3)CC2)CCN1 ZINC001246536409 1058988874 /nfs/dbraw/zinc/98/88/74/1058988874.db2.gz PLBIUQGLNMQDFT-LEWJYISDSA-N 1 3 314.517 4.252 20 0 DIADHO CCCCCC[C@H](CCCC)[N@@H+]1CCC(F)(F)[C@H](CN)C1 ZINC001246558053 1058997937 /nfs/dbraw/zinc/99/79/37/1058997937.db2.gz NXGKWRPTDGFBBG-CVEARBPZSA-N 1 3 304.469 4.432 20 0 DIADHO CCCCCC[C@H](CCCC)[N@H+]1CCC(F)(F)[C@H](CN)C1 ZINC001246558053 1058997954 /nfs/dbraw/zinc/99/79/54/1058997954.db2.gz NXGKWRPTDGFBBG-CVEARBPZSA-N 1 3 304.469 4.432 20 0 DIADHO CCCCCC[C@H](CCCC)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246558053 1058997977 /nfs/dbraw/zinc/99/79/77/1058997977.db2.gz NXGKWRPTDGFBBG-CVEARBPZSA-N 1 3 304.469 4.432 20 0 DIADHO CCCCCC1CCC(N2CCC(F)(F)[C@@H](C[NH3+])C2)CC1 ZINC001246562736 1059006637 /nfs/dbraw/zinc/00/66/37/1059006637.db2.gz ZHUJWWSLKUEKOW-PCKAHOCUSA-N 1 3 302.453 4.041 20 0 DIADHO CC1(C)C[C@H]([NH+]2CCC(Cc3cccc(Cl)c3)CC2)CCN1 ZINC001246588057 1059009134 /nfs/dbraw/zinc/00/91/34/1059009134.db2.gz BFVJGRDLEGUROJ-GOSISDBHSA-N 1 3 320.908 4.125 20 0 DIADHO CC(C)[N@H+]([C@H]1CCc2cc(Cl)ccc2C1)[C@@H]1CCCNCC1 ZINC001246581819 1059010750 /nfs/dbraw/zinc/01/07/50/1059010750.db2.gz AXIKYMPDXLPYSG-MOPGFXCFSA-N 1 3 320.908 4.050 20 0 DIADHO CC(C)[N@@H+]([C@H]1CCc2cc(Cl)ccc2C1)[C@@H]1CCCNCC1 ZINC001246581819 1059010771 /nfs/dbraw/zinc/01/07/71/1059010771.db2.gz AXIKYMPDXLPYSG-MOPGFXCFSA-N 1 3 320.908 4.050 20 0 DIADHO C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCCC[C@@H](CN)C1 ZINC001246582563 1059012412 /nfs/dbraw/zinc/01/24/12/1059012412.db2.gz NTSIWTNZXNFYOT-HOTGVXAUSA-N 1 3 324.534 4.131 20 0 DIADHO C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CCCC[C@@H](CN)C1 ZINC001246582563 1059012436 /nfs/dbraw/zinc/01/24/36/1059012436.db2.gz NTSIWTNZXNFYOT-HOTGVXAUSA-N 1 3 324.534 4.131 20 0 DIADHO Cc1ccc(CC[C@@H](C)[N@@H+](C(C)C)[C@H]2CCCNCC2)cc1 ZINC001246581807 1059013507 /nfs/dbraw/zinc/01/35/07/1059013507.db2.gz AWEMXCGDUDCYMX-QUCCMNQESA-N 1 3 302.506 4.169 20 0 DIADHO Cc1ccc(CC[C@@H](C)[N@H+](C(C)C)[C@H]2CCCNCC2)cc1 ZINC001246581807 1059013526 /nfs/dbraw/zinc/01/35/26/1059013526.db2.gz AWEMXCGDUDCYMX-QUCCMNQESA-N 1 3 302.506 4.169 20 0 DIADHO C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1C[C@@H](CN)CC[C@H]1C ZINC001246593662 1059017334 /nfs/dbraw/zinc/01/73/34/1059017334.db2.gz SINXNHIFWRBTPP-OWCLPIDISA-N 1 3 324.534 4.129 20 0 DIADHO C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H](CN)CC[C@H]1C ZINC001246593662 1059017351 /nfs/dbraw/zinc/01/73/51/1059017351.db2.gz SINXNHIFWRBTPP-OWCLPIDISA-N 1 3 324.534 4.129 20 0 DIADHO CC(C)[N@H+]([C@H]1CCc2c(Cl)cccc2C1)[C@@H]1CCCNCC1 ZINC001246593432 1059019954 /nfs/dbraw/zinc/01/99/54/1059019954.db2.gz MZJMOLHYMAEEOU-SJORKVTESA-N 1 3 320.908 4.050 20 0 DIADHO CC(C)[N@@H+]([C@H]1CCc2c(Cl)cccc2C1)[C@@H]1CCCNCC1 ZINC001246593432 1059019978 /nfs/dbraw/zinc/01/99/78/1059019978.db2.gz MZJMOLHYMAEEOU-SJORKVTESA-N 1 3 320.908 4.050 20 0 DIADHO CC1(C)C[C@H]([NH+]2CCC(c3ccc(Cl)cc3)CC2)CCN1 ZINC001246601163 1059023912 /nfs/dbraw/zinc/02/39/12/1059023912.db2.gz MQLWRUDENILVSF-QGZVFWFLSA-N 1 3 306.881 4.050 20 0 DIADHO CC1(C)C[C@H](N2CCC(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246601163 1059023937 /nfs/dbraw/zinc/02/39/37/1059023937.db2.gz MQLWRUDENILVSF-QGZVFWFLSA-N 1 3 306.881 4.050 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@]12CCCNC2 ZINC001246609737 1059027739 /nfs/dbraw/zinc/02/77/39/1059027739.db2.gz MZOYVXZIVFOBGE-PMACEKPBSA-N 1 3 300.490 4.006 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[N@H+]1CCC[C@]12CCCNC2 ZINC001246609737 1059027760 /nfs/dbraw/zinc/02/77/60/1059027760.db2.gz MZOYVXZIVFOBGE-PMACEKPBSA-N 1 3 300.490 4.006 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCC3(C=Cc4ccccc43)CC2)CCN1 ZINC001246647299 1059049195 /nfs/dbraw/zinc/04/91/95/1059049195.db2.gz KGMHUYURLAADKG-ICSRJNTNSA-N 1 3 324.512 4.214 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[N@@H+]1CCCC12CCNCC2 ZINC001246656071 1059052778 /nfs/dbraw/zinc/05/27/78/1059052778.db2.gz SLRJKINLLULEPY-IBGZPJMESA-N 1 3 300.490 4.006 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[N@H+]1CCCC12CCNCC2 ZINC001246656071 1059052799 /nfs/dbraw/zinc/05/27/99/1059052799.db2.gz SLRJKINLLULEPY-IBGZPJMESA-N 1 3 300.490 4.006 20 0 DIADHO c1ccc(C2CCC([N@H+]3CCCC[C@]34CCCNC4)CC2)cc1 ZINC001246653431 1059053714 /nfs/dbraw/zinc/05/37/14/1059053714.db2.gz SXJAFSANYOISDV-XVAXZDLZSA-N 1 3 312.501 4.321 20 0 DIADHO c1ccc(C2CCC([N@@H+]3CCCC[C@]34CCCNC4)CC2)cc1 ZINC001246653431 1059053729 /nfs/dbraw/zinc/05/37/29/1059053729.db2.gz SXJAFSANYOISDV-XVAXZDLZSA-N 1 3 312.501 4.321 20 0 DIADHO c1ccc(C2CCC(N3CCCC[C@]34CCC[NH2+]C4)CC2)cc1 ZINC001246653431 1059053748 /nfs/dbraw/zinc/05/37/48/1059053748.db2.gz SXJAFSANYOISDV-XVAXZDLZSA-N 1 3 312.501 4.321 20 0 DIADHO CCCCC[C@H](C)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246672541 1059058253 /nfs/dbraw/zinc/05/82/53/1059058253.db2.gz LYEWVJBPLBCQJP-CEWLAPEOSA-N 1 3 314.517 4.208 20 0 DIADHO CCCCC[C@H](C)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246672541 1059058278 /nfs/dbraw/zinc/05/82/78/1059058278.db2.gz LYEWVJBPLBCQJP-CEWLAPEOSA-N 1 3 314.517 4.208 20 0 DIADHO CC[C@H](CC(C)C)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246683287 1059063700 /nfs/dbraw/zinc/06/37/00/1059063700.db2.gz IFUIJJUNWREXMD-HBMCJLEFSA-N 1 3 314.517 4.064 20 0 DIADHO CC[C@H](CC(C)C)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246683287 1059063720 /nfs/dbraw/zinc/06/37/20/1059063720.db2.gz IFUIJJUNWREXMD-HBMCJLEFSA-N 1 3 314.517 4.064 20 0 DIADHO CC[C@H](CC(C)C)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246683290 1059065490 /nfs/dbraw/zinc/06/54/90/1059065490.db2.gz IFUIJJUNWREXMD-NJYVYQBISA-N 1 3 314.517 4.064 20 0 DIADHO CC[C@H](CC(C)C)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246683290 1059065515 /nfs/dbraw/zinc/06/55/15/1059065515.db2.gz IFUIJJUNWREXMD-NJYVYQBISA-N 1 3 314.517 4.064 20 0 DIADHO CCCC[C@H]1C[C@@H](N2CCC(c3ccccc3)CC2)CC[NH2+]1 ZINC001246694094 1059069942 /nfs/dbraw/zinc/06/99/42/1059069942.db2.gz VABLTWJSOBOGAM-PMACEKPBSA-N 1 3 300.490 4.177 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH+]2CCC(c3ccccc3)CC2)CCN1 ZINC001246694094 1059069965 /nfs/dbraw/zinc/06/99/65/1059069965.db2.gz VABLTWJSOBOGAM-PMACEKPBSA-N 1 3 300.490 4.177 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246775315 1059073740 /nfs/dbraw/zinc/07/37/40/1059073740.db2.gz JFPQMWGUUPWFFU-HBMCJLEFSA-N 1 3 314.517 4.252 20 0 DIADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246775315 1059073763 /nfs/dbraw/zinc/07/37/63/1059073763.db2.gz JFPQMWGUUPWFFU-HBMCJLEFSA-N 1 3 314.517 4.252 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246775318 1059076681 /nfs/dbraw/zinc/07/66/81/1059076681.db2.gz JFPQMWGUUPWFFU-PWRODBHTSA-N 1 3 314.517 4.252 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246775318 1059076700 /nfs/dbraw/zinc/07/67/00/1059076700.db2.gz JFPQMWGUUPWFFU-PWRODBHTSA-N 1 3 314.517 4.252 20 0 DIADHO C[C@H]1C[C@@H]([NH+]2CCC(CCc3ccc(Cl)cc3)CC2)CCN1 ZINC001246788722 1059089958 /nfs/dbraw/zinc/08/99/58/1059089958.db2.gz IAFXNYNIXUESEZ-KXBFYZLASA-N 1 3 320.908 4.125 20 0 DIADHO C[NH2+]C1CCN([C@H](C)CC(c2ccccc2)c2ccccc2)CC1 ZINC001246807868 1059106720 /nfs/dbraw/zinc/10/67/20/1059106720.db2.gz ULDOXLUBBZOIGK-GOSISDBHSA-N 1 3 322.496 4.281 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@H](c3ccccc3)CC2)CCN1 ZINC001246845074 1059121863 /nfs/dbraw/zinc/12/18/63/1059121863.db2.gz KCEDJMSHZRLEAR-ZCNNSNEGSA-N 1 3 314.517 4.423 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H](c3ccccc3)CC2)CCN1 ZINC001246845074 1059121879 /nfs/dbraw/zinc/12/18/79/1059121879.db2.gz KCEDJMSHZRLEAR-ZCNNSNEGSA-N 1 3 314.517 4.423 20 0 DIADHO CCCC[C@@H]1C[C@@H](N2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246852154 1059132184 /nfs/dbraw/zinc/13/21/84/1059132184.db2.gz NFEJXGNWYQNTGI-UHOSZYNNSA-N 1 3 320.908 4.440 20 0 DIADHO c1ccc(C[C@H]2C[C@@H]([N@H+](Cc3ccccc3)C3CC3)CCN2)cc1 ZINC001246861088 1059136979 /nfs/dbraw/zinc/13/69/79/1059136979.db2.gz QIDQLRQAIUJOLD-UNMCSNQZSA-N 1 3 320.480 4.014 20 0 DIADHO c1ccc(C[C@H]2C[C@@H]([N@@H+](Cc3ccccc3)C3CC3)CCN2)cc1 ZINC001246861088 1059136990 /nfs/dbraw/zinc/13/69/90/1059136990.db2.gz QIDQLRQAIUJOLD-UNMCSNQZSA-N 1 3 320.480 4.014 20 0 DIADHO CC1(C)CN([C@H]2CC[NH2+][C@H](c3ccccc3)C2)Cc2ccccc21 ZINC001246872668 1059140478 /nfs/dbraw/zinc/14/04/78/1059140478.db2.gz WXDOYUQCLAYRRE-FPOVZHCZSA-N 1 3 320.480 4.273 20 0 DIADHO CCCC[C@@H]1C[C@H](N2CCc3ccccc3[C@H]2CC)CC[NH2+]1 ZINC001246867649 1059140574 /nfs/dbraw/zinc/14/05/74/1059140574.db2.gz PTRFSBNXZRUWSA-QWFCFKBJSA-N 1 3 300.490 4.307 20 0 DIADHO CC[C@@H]1C[C@@H](N2CCc3ccccc3[C@H]2CC)C[C@H](CC)[NH2+]1 ZINC001246868221 1059142083 /nfs/dbraw/zinc/14/20/83/1059142083.db2.gz RIEDDWLDQZMSCK-AJYBTWMASA-N 1 3 300.490 4.305 20 0 DIADHO C1C[C@H](C2CCCCC2)[N@@H+]([C@@H]2CCNC3(CCCCC3)C2)C1 ZINC001246867487 1059142579 /nfs/dbraw/zinc/14/25/79/1059142579.db2.gz XYQGUUWGYUOTOR-RTBURBONSA-N 1 3 304.522 4.486 20 0 DIADHO C1C[C@H](C2CCCCC2)[N@H+]([C@@H]2CCNC3(CCCCC3)C2)C1 ZINC001246867487 1059142598 /nfs/dbraw/zinc/14/25/98/1059142598.db2.gz XYQGUUWGYUOTOR-RTBURBONSA-N 1 3 304.522 4.486 20 0 DIADHO CC1(C)CN([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)Cc2ccccc21 ZINC001246872669 1059143294 /nfs/dbraw/zinc/14/32/94/1059143294.db2.gz WXDOYUQCLAYRRE-PZJWPPBQSA-N 1 3 320.480 4.273 20 0 DIADHO C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)N2[C@@H]1CCC[NH2+]CC1 ZINC001246878889 1059145345 /nfs/dbraw/zinc/14/53/45/1059145345.db2.gz LIUGZFUESQEFDM-YHYVQYDKSA-N 1 3 318.464 4.005 20 0 DIADHO C[C@H]1C[C@H](N2[C@@H]3Cc4ccccc4[C@@]2(C)c2ccccc23)CC[NH2+]1 ZINC001246876886 1059146578 /nfs/dbraw/zinc/14/65/78/1059146578.db2.gz DBJDDGGAXTXZSC-NAYASGRBSA-N 1 3 318.464 4.003 20 0 DIADHO C[C@H]1C[C@H]([N@@H+]2[C@@H]3Cc4ccccc4[C@@]2(C)c2ccccc23)CCN1 ZINC001246876886 1059146588 /nfs/dbraw/zinc/14/65/88/1059146588.db2.gz DBJDDGGAXTXZSC-NAYASGRBSA-N 1 3 318.464 4.003 20 0 DIADHO C[C@H]1C[C@H]([N@H+]2[C@@H]3Cc4ccccc4[C@@]2(C)c2ccccc23)CCN1 ZINC001246876886 1059146596 /nfs/dbraw/zinc/14/65/96/1059146596.db2.gz DBJDDGGAXTXZSC-NAYASGRBSA-N 1 3 318.464 4.003 20 0 DIADHO Cc1ccc([C@@H]2CCCC[N@H+]2C2C[C@H](C)N[C@@H](C)C2)cc1C ZINC001246908582 1059167304 /nfs/dbraw/zinc/16/73/04/1059167304.db2.gz LOEDPNKXWFAEHK-ZWOKBUDYSA-N 1 3 300.490 4.359 20 0 DIADHO Cc1ccc([C@@H]2CCCC[N@@H+]2C2C[C@H](C)N[C@@H](C)C2)cc1C ZINC001246908582 1059167315 /nfs/dbraw/zinc/16/73/15/1059167315.db2.gz LOEDPNKXWFAEHK-ZWOKBUDYSA-N 1 3 300.490 4.359 20 0 DIADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1C ZINC001246907080 1059167685 /nfs/dbraw/zinc/16/76/85/1059167685.db2.gz HZFSLVHFTWTIAI-FGZHOGPDSA-N 1 3 322.496 4.099 20 0 DIADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1C ZINC001246907080 1059167695 /nfs/dbraw/zinc/16/76/95/1059167695.db2.gz HZFSLVHFTWTIAI-FGZHOGPDSA-N 1 3 322.496 4.099 20 0 DIADHO Cc1ccc([C@@H]2CCCC[N@@H+]2[C@@H]2CCNC(C)(C)C2)cc1C ZINC001246908675 1059167898 /nfs/dbraw/zinc/16/78/98/1059167898.db2.gz MCDSJXKPBBZUMW-MOPGFXCFSA-N 1 3 300.490 4.361 20 0 DIADHO Cc1ccc([C@@H]2CCCC[N@H+]2[C@@H]2CCNC(C)(C)C2)cc1C ZINC001246908675 1059167904 /nfs/dbraw/zinc/16/79/04/1059167904.db2.gz MCDSJXKPBBZUMW-MOPGFXCFSA-N 1 3 300.490 4.361 20 0 DIADHO Cc1ccc([C@@H]2CCCC[N@H+]2[C@@H]2C[C@@H](C)N[C@@H](C)C2)cc1C ZINC001246908580 1059169033 /nfs/dbraw/zinc/16/90/33/1059169033.db2.gz LOEDPNKXWFAEHK-HNJRGHQBSA-N 1 3 300.490 4.359 20 0 DIADHO Cc1ccc([C@@H]2CCCC[N@@H+]2[C@@H]2C[C@@H](C)N[C@@H](C)C2)cc1C ZINC001246908580 1059169042 /nfs/dbraw/zinc/16/90/42/1059169042.db2.gz LOEDPNKXWFAEHK-HNJRGHQBSA-N 1 3 300.490 4.359 20 0 DIADHO CC[N@H+](Cc1ccc(C)cc1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246908757 1059171777 /nfs/dbraw/zinc/17/17/77/1059171777.db2.gz MIRDYSRYBDUMLN-VXKWHMMOSA-N 1 3 322.496 4.180 20 0 DIADHO CC[N@@H+](Cc1ccc(C)cc1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246908757 1059171784 /nfs/dbraw/zinc/17/17/84/1059171784.db2.gz MIRDYSRYBDUMLN-VXKWHMMOSA-N 1 3 322.496 4.180 20 0 DIADHO CCN(Cc1ccc(C)cc1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246908757 1059171794 /nfs/dbraw/zinc/17/17/94/1059171794.db2.gz MIRDYSRYBDUMLN-VXKWHMMOSA-N 1 3 322.496 4.180 20 0 DIADHO FC(F)(F)c1ccc([C@@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246920257 1059176353 /nfs/dbraw/zinc/17/63/53/1059176353.db2.gz DJLMVAKVXNITEG-WFVVYAPDSA-N 1 3 324.390 4.125 20 0 DIADHO [NH3+][C@@H]1CCN([C@H]2CCCC3(CCCCC3)C2)C[C@@H]1C(F)(F)F ZINC001246940802 1059183088 /nfs/dbraw/zinc/18/30/88/1059183088.db2.gz VKDQMZGYNJUSRS-SOUVJXGZSA-N 1 3 318.427 4.091 20 0 DIADHO [NH3+][C@@H]1CCN([C@@H]2CCCC3(CCCCC3)C2)C[C@@H]1C(F)(F)F ZINC001246940796 1059183171 /nfs/dbraw/zinc/18/31/71/1059183171.db2.gz VKDQMZGYNJUSRS-QLFBSQMISA-N 1 3 318.427 4.091 20 0 DIADHO CC1(C)CCC[C@H]([N@H+](Cc2cccc(F)c2)C2CCNCC2)C1 ZINC001246933742 1059185857 /nfs/dbraw/zinc/18/58/57/1059185857.db2.gz BOOUQBBDGHGBSB-IBGZPJMESA-N 1 3 318.480 4.349 20 0 DIADHO CC1(C)CCC[C@H]([N@@H+](Cc2cccc(F)c2)C2CCNCC2)C1 ZINC001246933742 1059185872 /nfs/dbraw/zinc/18/58/72/1059185872.db2.gz BOOUQBBDGHGBSB-IBGZPJMESA-N 1 3 318.480 4.349 20 0 DIADHO CC[C@H](CC(C)C)[N@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001246942088 1059190182 /nfs/dbraw/zinc/19/01/82/1059190182.db2.gz MUYGZIIQTNQYKJ-GOSISDBHSA-N 1 3 306.469 4.204 20 0 DIADHO CC[C@H](CC(C)C)[N@@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001246942088 1059190185 /nfs/dbraw/zinc/19/01/85/1059190185.db2.gz MUYGZIIQTNQYKJ-GOSISDBHSA-N 1 3 306.469 4.204 20 0 DIADHO Fc1cccc(C[N@H+](C2CCNCC2)C2CCCCCC2)c1 ZINC001246942056 1059190785 /nfs/dbraw/zinc/19/07/85/1059190785.db2.gz LVXZASVTXNZCRB-UHFFFAOYSA-N 1 3 304.453 4.103 20 0 DIADHO Fc1cccc(C[N@@H+](C2CCNCC2)C2CCCCCC2)c1 ZINC001246942056 1059190800 /nfs/dbraw/zinc/19/08/00/1059190800.db2.gz LVXZASVTXNZCRB-UHFFFAOYSA-N 1 3 304.453 4.103 20 0 DIADHO Cc1cc(F)cc(C[N@H+](C2CCNCC2)[C@H]2CCC[C@@H](C)C2)c1 ZINC001246950703 1059194961 /nfs/dbraw/zinc/19/49/61/1059194961.db2.gz DWBGBKGQTMSJNH-QRWLVFNGSA-N 1 3 318.480 4.267 20 0 DIADHO Cc1cc(F)cc(C[N@@H+](C2CCNCC2)[C@H]2CCC[C@@H](C)C2)c1 ZINC001246950703 1059194971 /nfs/dbraw/zinc/19/49/71/1059194971.db2.gz DWBGBKGQTMSJNH-QRWLVFNGSA-N 1 3 318.480 4.267 20 0 DIADHO CCCC[C@H]1C[C@H]([NH+]2CCC(C)(c3ccccc3)CC2)CCN1 ZINC001246946929 1059195074 /nfs/dbraw/zinc/19/50/74/1059195074.db2.gz SRQGPEOAEHJUCE-VQTJNVASSA-N 1 3 314.517 4.351 20 0 DIADHO CCCC[C@H]1C[C@H](N2CCC(C)(c3ccccc3)CC2)CC[NH2+]1 ZINC001246946929 1059195083 /nfs/dbraw/zinc/19/50/83/1059195083.db2.gz SRQGPEOAEHJUCE-VQTJNVASSA-N 1 3 314.517 4.351 20 0 DIADHO CC[C@@H]1CC[C@H]([N@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952444 1059195842 /nfs/dbraw/zinc/19/58/42/1059195842.db2.gz SKYUFOCMNIDOQV-UZLBHIALSA-N 1 3 318.480 4.267 20 0 DIADHO CC[C@@H]1CC[C@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952444 1059195855 /nfs/dbraw/zinc/19/58/55/1059195855.db2.gz SKYUFOCMNIDOQV-UZLBHIALSA-N 1 3 318.480 4.267 20 0 DIADHO CCCC[C@H](C)[N@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001246954417 1059198448 /nfs/dbraw/zinc/19/84/48/1059198448.db2.gz HDJPLZXSKAWANR-INIZCTEOSA-N 1 3 306.469 4.267 20 0 DIADHO CCCC[C@H](C)[N@@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001246954417 1059198452 /nfs/dbraw/zinc/19/84/52/1059198452.db2.gz HDJPLZXSKAWANR-INIZCTEOSA-N 1 3 306.469 4.267 20 0 DIADHO CCCC[C@H](C)N(Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001246954417 1059198454 /nfs/dbraw/zinc/19/84/54/1059198454.db2.gz HDJPLZXSKAWANR-INIZCTEOSA-N 1 3 306.469 4.267 20 0 DIADHO Cc1cc(F)cc(C[N@H+]([C@@H]2CCC(C)(C)C2)C2CCNCC2)c1 ZINC001246952792 1059200631 /nfs/dbraw/zinc/20/06/31/1059200631.db2.gz VVMUSCHNOAPLBE-LJQANCHMSA-N 1 3 318.480 4.267 20 0 DIADHO Cc1cc(F)cc(C[N@@H+]([C@@H]2CCC(C)(C)C2)C2CCNCC2)c1 ZINC001246952792 1059200645 /nfs/dbraw/zinc/20/06/45/1059200645.db2.gz VVMUSCHNOAPLBE-LJQANCHMSA-N 1 3 318.480 4.267 20 0 DIADHO CCC[C@H](CCc1ccccc1)[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC001246971307 1059216393 /nfs/dbraw/zinc/21/63/93/1059216393.db2.gz FMMZRSOTWSGMIV-VQTJNVASSA-N 1 3 314.517 4.252 20 0 DIADHO CCC[C@H](CCc1ccccc1)[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC001246971307 1059216412 /nfs/dbraw/zinc/21/64/12/1059216412.db2.gz FMMZRSOTWSGMIV-VQTJNVASSA-N 1 3 314.517 4.252 20 0 DIADHO c1sc2ccccc2c1C1CCN([C@H]2CCC[NH2+]CC2)CC1 ZINC001246976737 1059225554 /nfs/dbraw/zinc/22/55/54/1059225554.db2.gz ASJJHVUZJIQUEI-INIZCTEOSA-N 1 3 314.498 4.223 20 0 DIADHO CC(C)CCC[C@H](C)[N@@H+]1Cc2ccccc2C12CCNCC2 ZINC001247010312 1059238884 /nfs/dbraw/zinc/23/88/84/1059238884.db2.gz OEMPMWXBMZJMMB-KRWDZBQOSA-N 1 3 300.490 4.296 20 0 DIADHO CC(C)CCC[C@H](C)[N@H+]1Cc2ccccc2C12CCNCC2 ZINC001247010312 1059238899 /nfs/dbraw/zinc/23/88/99/1059238899.db2.gz OEMPMWXBMZJMMB-KRWDZBQOSA-N 1 3 300.490 4.296 20 0 DIADHO CCCCC[C@H](CC)N1Cc2ccccc2C12CC[NH2+]CC2 ZINC001247010549 1059239437 /nfs/dbraw/zinc/23/94/37/1059239437.db2.gz PXVAJQDHZXCUMD-SFHVURJKSA-N 1 3 300.490 4.440 20 0 DIADHO CC[C@@H](CC(F)F)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001559524831 1059320351 /nfs/dbraw/zinc/32/03/51/1059320351.db2.gz RNMIFPCLJNKMKG-IRXDYDNUSA-N 1 3 316.480 4.256 20 0 DIADHO CCCc1ccc([C@@H]([NH2+]CC[C@@H]2CCCN2C)C(C)C)cc1 ZINC001559670011 1059495427 /nfs/dbraw/zinc/49/54/27/1059495427.db2.gz XTBBZRCKNPBGCI-PMACEKPBSA-N 1 3 302.506 4.410 20 0 DIADHO CCCc1ccc([C@@H](NCC[C@@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC001559670011 1059495436 /nfs/dbraw/zinc/49/54/36/1059495436.db2.gz XTBBZRCKNPBGCI-PMACEKPBSA-N 1 3 302.506 4.410 20 0 DIADHO CCCc1ccc([C@@H](NCC[C@@H]2CCC[N@H+]2C)C(C)C)cc1 ZINC001559670011 1059495445 /nfs/dbraw/zinc/49/54/45/1059495445.db2.gz XTBBZRCKNPBGCI-PMACEKPBSA-N 1 3 302.506 4.410 20 0 DIADHO C[C@H]([NH2+]C[C@@H]1CCCCC1(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC001559737882 1059571035 /nfs/dbraw/zinc/57/10/35/1059571035.db2.gz PSVHPVQTJNQIBI-KSZLIROESA-N 1 3 306.538 4.445 20 0 DIADHO CN1CCC[C@H]1CC[N@@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001559875355 1059695400 /nfs/dbraw/zinc/69/54/00/1059695400.db2.gz STBOZQMHKRMADE-QFIPXVFZSA-N 1 3 320.480 4.196 20 0 DIADHO CN1CCC[C@H]1CC[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001559875355 1059695419 /nfs/dbraw/zinc/69/54/19/1059695419.db2.gz STBOZQMHKRMADE-QFIPXVFZSA-N 1 3 320.480 4.196 20 0 DIADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(C3CCCC3)cc2)C1 ZINC001560297405 1060080548 /nfs/dbraw/zinc/08/05/48/1060080548.db2.gz CTVGZSABRBUQRI-SFHVURJKSA-N 1 3 300.490 4.166 20 0 DIADHO CC[C@@H](C)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001560315392 1060101960 /nfs/dbraw/zinc/10/19/60/1060101960.db2.gz ZLHPIMPVCKRCFH-OAHLLOKOSA-N 1 3 308.897 4.188 20 0 DIADHO CCc1cccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC001560418393 1060203410 /nfs/dbraw/zinc/20/34/10/1060203410.db2.gz LLWWTACPDANILN-XMSQKQJNSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1cccc(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001560418393 1060203434 /nfs/dbraw/zinc/20/34/34/1060203434.db2.gz LLWWTACPDANILN-XMSQKQJNSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1cccc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001560418393 1060203455 /nfs/dbraw/zinc/20/34/55/1060203455.db2.gz LLWWTACPDANILN-XMSQKQJNSA-N 1 3 322.496 4.249 20 0 DIADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CCc2ccccc21 ZINC001560525486 1060326891 /nfs/dbraw/zinc/32/68/91/1060326891.db2.gz BYSZCCZKBCNCJU-OAQYLSRUSA-N 1 3 322.496 4.422 20 0 DIADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CCc2ccccc21 ZINC001560525486 1060326912 /nfs/dbraw/zinc/32/69/12/1060326912.db2.gz BYSZCCZKBCNCJU-OAQYLSRUSA-N 1 3 322.496 4.422 20 0 DIADHO CC(C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001560703746 1060561986 /nfs/dbraw/zinc/56/19/86/1060561986.db2.gz LNRJGZODAFXROH-OYNPSCLESA-N 1 3 314.517 4.311 20 0 DIADHO Cc1cccc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC001560749505 1060616975 /nfs/dbraw/zinc/61/69/75/1060616975.db2.gz HRKOZYBALRDYBT-NLWGTHIKSA-N 1 3 314.517 4.169 20 0 DIADHO C[C@H](CC[NH2+]CC(Cc1ccccc1)Cc1ccccc1)N(C)C ZINC001560951973 1060818811 /nfs/dbraw/zinc/81/88/11/1060818811.db2.gz WPQKAHGDNSHENP-LJQANCHMSA-N 1 3 324.512 4.018 20 0 DIADHO Cc1cccc([C@@H](NC2CC[NH+](CC3CC3)CC2)C(C)C)c1 ZINC001560962416 1060827089 /nfs/dbraw/zinc/82/70/89/1060827089.db2.gz BDZDBEXNQPKVRA-FQEVSTJZSA-N 1 3 300.490 4.156 20 0 DIADHO CSc1ccc(CN(C)CCCC[NH+]2CCCCC2)s1 ZINC001560982788 1060848242 /nfs/dbraw/zinc/84/82/42/1060848242.db2.gz HQHSACINAVLNQW-UHFFFAOYSA-N 1 3 312.548 4.168 20 0 DIADHO CC(C)CCN1CCC([NH2+][C@H]2CCCc3c(F)cccc32)CC1 ZINC001462294994 1061085198 /nfs/dbraw/zinc/08/51/98/1061085198.db2.gz OEOZIGPSSUNNMZ-FQEVSTJZSA-N 1 3 318.480 4.303 20 0 DIADHO c1ccc(CN2CCCC[C@H](C[NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC001462310148 1061095561 /nfs/dbraw/zinc/09/55/61/1061095561.db2.gz AGUOKAANXWAABY-LJQANCHMSA-N 1 3 312.501 4.211 20 0 DIADHO CC[N@H+](CCCNCCc1cc(C)cc(C)c1)C1CCCCC1 ZINC001462408140 1061153876 /nfs/dbraw/zinc/15/38/76/1061153876.db2.gz MMZRGRYNVXVPQU-UHFFFAOYSA-N 1 3 316.533 4.480 20 0 DIADHO CC[N@@H+](CCCNCCc1cc(C)cc(C)c1)C1CCCCC1 ZINC001462408140 1061153880 /nfs/dbraw/zinc/15/38/80/1061153880.db2.gz MMZRGRYNVXVPQU-UHFFFAOYSA-N 1 3 316.533 4.480 20 0 DIADHO C[NH2+][C@@]12CC[C@@](NCc3csc4ccccc34)(C1)CCC2 ZINC001278620151 1061167247 /nfs/dbraw/zinc/16/72/47/1061167247.db2.gz QNKXZCJHNWKBNQ-ZWKOTPCHSA-N 1 3 300.471 4.056 20 0 DIADHO C[C@@H](c1cccc(Cl)c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC001473586263 1061273552 /nfs/dbraw/zinc/27/35/52/1061273552.db2.gz FOCMEWMKGREUCB-HNNXBMFYSA-N 1 3 315.848 4.008 20 0 DIADHO CCN(CC)CC[C@@H](C)[NH2+]Cc1ccc(F)c2ccccc12 ZINC001462672222 1061329113 /nfs/dbraw/zinc/32/91/13/1061329113.db2.gz JTVBUHALHQIPHE-OAHLLOKOSA-N 1 3 302.437 4.189 20 0 DIADHO CCCCN(CCc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001473682703 1061339653 /nfs/dbraw/zinc/33/96/53/1061339653.db2.gz BEJWFSSJBXFSEO-UHFFFAOYSA-N 1 3 317.521 4.035 20 0 DIADHO Cc1cc(C)c(/C=C/C[NH2+]CCCN2CCCCC2)c(C)c1 ZINC001473917696 1061466172 /nfs/dbraw/zinc/46/61/72/1061466172.db2.gz MFKZZKVSINUWBB-VQHVLOKHSA-N 1 3 300.490 4.091 20 0 DIADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)C1 ZINC001474209903 1061765713 /nfs/dbraw/zinc/76/57/13/1061765713.db2.gz KKEUPYNNDSHQRD-HMXCVIKNSA-N 1 3 314.517 4.424 20 0 DIADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)C1 ZINC001474209904 1061766087 /nfs/dbraw/zinc/76/60/87/1061766087.db2.gz KKEUPYNNDSHQRD-NRSPTQNISA-N 1 3 314.517 4.424 20 0 DIADHO Cc1cccc(CC[C@H](C)[NH2+]CC[C@H](C)N2CCCCC2)c1 ZINC001474436983 1062115431 /nfs/dbraw/zinc/11/54/31/1062115431.db2.gz QVHDHKZRXWOJKG-OALUTQOASA-N 1 3 302.506 4.170 20 0 DIADHO FC1(F)CC[C@H](CN2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC001459437207 1062144544 /nfs/dbraw/zinc/14/45/44/1062144544.db2.gz JESZKPGMSIZHER-DLBZAZTESA-N 1 3 314.464 4.010 20 0 DIADHO FC1(F)CC[C@@H](CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC001459437248 1062145929 /nfs/dbraw/zinc/14/59/29/1062145929.db2.gz JESZKPGMSIZHER-SJORKVTESA-N 1 3 314.464 4.010 20 0 DIADHO CN1CCC[C@@H]([NH2+][C@@H](CC2CCC2)c2ccccc2F)CC1 ZINC001254507447 1062149054 /nfs/dbraw/zinc/14/90/54/1062149054.db2.gz CELUBNWCUGPNEY-APWZRJJASA-N 1 3 304.453 4.131 20 0 DIADHO CN1CCCC[C@@H]1CC[N@H+](C)[C@@H]1CCc2c1cccc2Cl ZINC001459571133 1062217965 /nfs/dbraw/zinc/21/79/65/1062217965.db2.gz FAELUBCFPQIXBO-RDTXWAMCSA-N 1 3 306.881 4.134 20 0 DIADHO CN1CCCC[C@@H]1CC[N@@H+](C)[C@@H]1CCc2c1cccc2Cl ZINC001459571133 1062217986 /nfs/dbraw/zinc/21/79/86/1062217986.db2.gz FAELUBCFPQIXBO-RDTXWAMCSA-N 1 3 306.881 4.134 20 0 DIADHO CC(C)CCN1CCC([NH2+]CC[C@@H]2CCc3ccccc32)CC1 ZINC001474553340 1062250692 /nfs/dbraw/zinc/25/06/92/1062250692.db2.gz ZVBYAEXUDXSUMT-IBGZPJMESA-N 1 3 314.517 4.207 20 0 DIADHO C[C@H](CC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1Cl)N(C)C ZINC001474648685 1062374329 /nfs/dbraw/zinc/37/43/29/1062374329.db2.gz LAAFXXAALMVYFV-UWWQBHOKSA-N 1 3 308.897 4.296 20 0 DIADHO Clc1ccccc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC001459794512 1062405678 /nfs/dbraw/zinc/40/56/78/1062405678.db2.gz ASPMAOMWUOINCL-UHFFFAOYSA-N 1 3 320.908 4.428 20 0 DIADHO CCCC[C@H](C)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001255332178 1062405916 /nfs/dbraw/zinc/40/59/16/1062405916.db2.gz KLFGMBWMHPNTSJ-SFHVURJKSA-N 1 3 300.490 4.163 20 0 DIADHO Cc1ccc(CN[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)s1 ZINC001255381527 1062421998 /nfs/dbraw/zinc/42/19/98/1062421998.db2.gz PKHYAGZVZXUEMF-GOSISDBHSA-N 1 3 314.498 4.201 20 0 DIADHO Cc1ccc(CN[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)s1 ZINC001255381527 1062422006 /nfs/dbraw/zinc/42/20/06/1062422006.db2.gz PKHYAGZVZXUEMF-GOSISDBHSA-N 1 3 314.498 4.201 20 0 DIADHO C=Cc1ccc(CN[C@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255384750 1062422384 /nfs/dbraw/zinc/42/23/84/1062422384.db2.gz BCKJQGGGYKZSTD-QFIPXVFZSA-N 1 3 320.480 4.474 20 0 DIADHO C=Cc1ccc(CN[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255384750 1062422403 /nfs/dbraw/zinc/42/24/03/1062422403.db2.gz BCKJQGGGYKZSTD-QFIPXVFZSA-N 1 3 320.480 4.474 20 0 DIADHO c1ccc(CN2CCC[C@H]([NH+]3CCC4(CCC4)CC3)CC2)cc1 ZINC001255396959 1062431508 /nfs/dbraw/zinc/43/15/08/1062431508.db2.gz CGZADQLAZSUHNN-FQEVSTJZSA-N 1 3 312.501 4.307 20 0 DIADHO FC(F)C1CCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255406431 1062439434 /nfs/dbraw/zinc/43/94/34/1062439434.db2.gz SFEZTBUQKRRDAZ-SFHVURJKSA-N 1 3 322.443 4.018 20 0 DIADHO FC(F)C1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255406431 1062439448 /nfs/dbraw/zinc/43/94/48/1062439448.db2.gz SFEZTBUQKRRDAZ-SFHVURJKSA-N 1 3 322.443 4.018 20 0 DIADHO c1ccc(CN2CCC[C@H]([N@@H+]3CCC[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC001255406424 1062441290 /nfs/dbraw/zinc/44/12/90/1062441290.db2.gz SECADTOPSXUCLP-ACRUOGEOSA-N 1 3 312.501 4.306 20 0 DIADHO c1ccc(CN2CCC[C@H]([N@H+]3CCC[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC001255406424 1062441301 /nfs/dbraw/zinc/44/13/01/1062441301.db2.gz SECADTOPSXUCLP-ACRUOGEOSA-N 1 3 312.501 4.306 20 0 DIADHO CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1cc(F)ccc1F ZINC001255669268 1062511041 /nfs/dbraw/zinc/51/10/41/1062511041.db2.gz TUFBIKZMWYSOLD-MUSFGAPCSA-N 1 3 308.416 4.021 20 0 DIADHO C[C@H](c1ccccc1Cl)[N@H+](C)C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255684229 1062513065 /nfs/dbraw/zinc/51/30/65/1062513065.db2.gz UWTBAPNXPYXKQV-JZWPEALZSA-N 1 3 306.881 4.348 20 0 DIADHO C[C@H](c1ccccc1Cl)[N@@H+](C)C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255684229 1062513086 /nfs/dbraw/zinc/51/30/86/1062513086.db2.gz UWTBAPNXPYXKQV-JZWPEALZSA-N 1 3 306.881 4.348 20 0 DIADHO [NH3+]C1(CC2CCC2)CCN([C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001255699566 1062525476 /nfs/dbraw/zinc/52/54/76/1062525476.db2.gz KGBKRYVYEQCFFW-GJZGRUSLSA-N 1 3 318.427 4.091 20 0 DIADHO NC1(Cc2ccc(Cl)cc2)CC[NH+](C2CCCCCC2)CC1 ZINC001255885951 1062654530 /nfs/dbraw/zinc/65/45/30/1062654530.db2.gz RJIRMDSLAAEJHZ-UHFFFAOYSA-N 1 3 320.908 4.399 20 0 DIADHO CCN(CC)CC[C@@H](C)[NH2+]C1(Cc2cccc(F)c2)CCC1 ZINC001255951766 1062670069 /nfs/dbraw/zinc/67/00/69/1062670069.db2.gz AQYOAIWMCZWCNB-MRXNPFEDSA-N 1 3 306.469 4.001 20 0 DIADHO c1csc(-c2cccc(CNC3CC[NH+](C4CC4)CC3)c2)c1 ZINC001256069611 1062695237 /nfs/dbraw/zinc/69/52/37/1062695237.db2.gz IGAWXQYKENRILD-UHFFFAOYSA-N 1 3 312.482 4.132 20 0 DIADHO C=Cc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256527166 1062849614 /nfs/dbraw/zinc/84/96/14/1062849614.db2.gz QQOREEMCGAWGGK-AVRDEDQJSA-N 1 3 320.480 4.472 20 0 DIADHO C=Cc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256527166 1062849641 /nfs/dbraw/zinc/84/96/41/1062849641.db2.gz QQOREEMCGAWGGK-AVRDEDQJSA-N 1 3 320.480 4.472 20 0 DIADHO CC(C)(C)N1CCC([NH2+]CCc2ccc3ccccc3c2)CC1 ZINC001256562256 1062885840 /nfs/dbraw/zinc/88/58/40/1062885840.db2.gz ORGVUJPVSYSAPK-UHFFFAOYSA-N 1 3 310.485 4.235 20 0 DIADHO Cc1ccc(CC(C)(C)C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC001256566555 1062890263 /nfs/dbraw/zinc/89/02/63/1062890263.db2.gz IXEISAWDFKRPGX-UHFFFAOYSA-N 1 3 316.533 4.416 20 0 DIADHO Cc1ccc([C@@H]2CCCN2C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001256572084 1062895318 /nfs/dbraw/zinc/89/53/18/1062895318.db2.gz ODCVFBMCWIUWKX-IBGZPJMESA-N 1 3 300.490 4.395 20 0 DIADHO Fc1ccc2c(c1)[C@H](NC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001256599512 1062910223 /nfs/dbraw/zinc/91/02/23/1062910223.db2.gz VOOPTWPPJHEDDC-OAQYLSRUSA-N 1 3 324.443 4.067 20 0 DIADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2C[C@H]2CCC(F)(F)C2)CC1 ZINC001460624364 1062944203 /nfs/dbraw/zinc/94/42/03/1062944203.db2.gz BLFDFFUWYQMJDA-IRXDYDNUSA-N 1 3 314.464 4.008 20 0 DIADHO CC1CCN(CC[C@@H]2CCC[N@H+]2C[C@H]2CCC(F)(F)C2)CC1 ZINC001460624364 1062944225 /nfs/dbraw/zinc/94/42/25/1062944225.db2.gz BLFDFFUWYQMJDA-IRXDYDNUSA-N 1 3 314.464 4.008 20 0 DIADHO CC(C)N1CCC([NH2+]C2(c3ccccc3Cl)CCC2)CC1 ZINC001257211862 1063145146 /nfs/dbraw/zinc/14/51/46/1063145146.db2.gz PDFLUZDWDTXCOP-UHFFFAOYSA-N 1 3 306.881 4.182 20 0 DIADHO CCc1cccc(CNCc2ccccc2C[NH+](CC)CC)c1 ZINC001461005594 1063180085 /nfs/dbraw/zinc/18/00/85/1063180085.db2.gz ATHHPNYAVAOZER-UHFFFAOYSA-N 1 3 310.485 4.381 20 0 DIADHO CCC[C@@H](C)[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001257310252 1063197377 /nfs/dbraw/zinc/19/73/77/1063197377.db2.gz AIBXXQAPDJVNMU-OAHLLOKOSA-N 1 3 308.897 4.330 20 0 DIADHO CCC[C@H](C[NH2+]C1CCN(CC(C)C)CC1)c1ccccc1 ZINC001461033480 1063203782 /nfs/dbraw/zinc/20/37/82/1063203782.db2.gz XZSLDFSFEGUCOP-LJQANCHMSA-N 1 3 302.506 4.280 20 0 DIADHO CCCCCC[C@@H](C)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001257357196 1063227233 /nfs/dbraw/zinc/22/72/33/1063227233.db2.gz JJOXRHNTKDMKPK-GOSISDBHSA-N 1 3 317.521 4.242 20 0 DIADHO CCC[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccccc1 ZINC001461068316 1063231486 /nfs/dbraw/zinc/23/14/86/1063231486.db2.gz YHXIBTYXXSHEPH-GOSISDBHSA-N 1 3 302.506 4.423 20 0 DIADHO CCCC[C@@H](CC)[NH+]1CCC(N)(Cc2ccc(F)cc2)CC1 ZINC001257414546 1063262573 /nfs/dbraw/zinc/26/25/73/1063262573.db2.gz POPZWBSQIXPPNR-GOSISDBHSA-N 1 3 306.469 4.130 20 0 DIADHO CS[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)C1 ZINC001461132678 1063282784 /nfs/dbraw/zinc/28/27/84/1063282784.db2.gz RORSZHDXODCNJJ-RTBURBONSA-N 1 3 324.578 4.295 20 0 DIADHO CCC[C@H](C)CC[C@@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001257478925 1063300624 /nfs/dbraw/zinc/30/06/24/1063300624.db2.gz XQNOQVLHURMDEU-ZWKOTPCHSA-N 1 3 324.553 4.072 20 0 DIADHO C[NH+](C)CC[C@@H](NCc1cccc(CC2CCC2)c1)C(C)(C)C ZINC001461188715 1063321719 /nfs/dbraw/zinc/32/17/19/1063321719.db2.gz BYZLAMAHGVSAOH-HXUWFJFHSA-N 1 3 316.533 4.485 20 0 DIADHO CC(C)C[C@@H]1CCC[C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)C1 ZINC001461234698 1063355768 /nfs/dbraw/zinc/35/57/68/1063355768.db2.gz UFBAQFZIXJFKGK-MUGJNUQGSA-N 1 3 324.553 4.070 20 0 DIADHO C/C(=C/c1ccc(Cl)cc1)CN[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001461257810 1063369069 /nfs/dbraw/zinc/36/90/69/1063369069.db2.gz RKCJBFRJWFLSCJ-QKNCTXAOSA-N 1 3 306.881 4.206 20 0 DIADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC001257993975 1063453322 /nfs/dbraw/zinc/45/33/22/1063453322.db2.gz DTWMMBKZENUVKT-TUNPWDSISA-N 1 3 300.490 4.175 20 0 DIADHO CCCCc1ccc(C[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC001258002416 1063457881 /nfs/dbraw/zinc/45/78/81/1063457881.db2.gz JUVIATCXRJTUKX-UHFFFAOYSA-N 1 3 302.506 4.239 20 0 DIADHO Cc1ccc(CC(C)(C)C[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC001258008586 1063463451 /nfs/dbraw/zinc/46/34/51/1063463451.db2.gz XXXHSXKKBJAJLN-UHFFFAOYSA-N 1 3 316.533 4.274 20 0 DIADHO CC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccc(C)c(C)c1 ZINC001258005959 1063464106 /nfs/dbraw/zinc/46/41/06/1063464106.db2.gz YZQFQRVSXGWXAA-HXUWFJFHSA-N 1 3 302.506 4.465 20 0 DIADHO CC[C@@H](NC1CC[NH+](CC(C)C)CC1)c1ccc(C)c(C)c1 ZINC001258005959 1063464117 /nfs/dbraw/zinc/46/41/17/1063464117.db2.gz YZQFQRVSXGWXAA-HXUWFJFHSA-N 1 3 302.506 4.465 20 0 DIADHO C/C(=C/c1ccc(Cl)cc1)CNCC1(C[NH+](C)C)CCCC1 ZINC001461424329 1063490885 /nfs/dbraw/zinc/49/08/85/1063490885.db2.gz OGDOUWPKVOWROD-VBKFSLOCSA-N 1 3 320.908 4.455 20 0 DIADHO COC1CC[NH+](C2CCN([C@H](C)C[C@@H](C)CC(C)C)CC2)CC1 ZINC001258073361 1063499684 /nfs/dbraw/zinc/49/96/84/1063499684.db2.gz CEIMFBBEQJJOIO-ZWKOTPCHSA-N 1 3 324.553 4.022 20 0 DIADHO COC1CC[NH+](C2CCN([C@H](C)C[C@H](C)CC(C)C)CC2)CC1 ZINC001258073355 1063500859 /nfs/dbraw/zinc/50/08/59/1063500859.db2.gz CEIMFBBEQJJOIO-QZTJIDSGSA-N 1 3 324.553 4.022 20 0 DIADHO CC(C)=CCC[C@@H](C)N1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001258085444 1063509312 /nfs/dbraw/zinc/50/93/12/1063509312.db2.gz KCOOEWDVHRSNPJ-MRXNPFEDSA-N 1 3 304.453 4.210 20 0 DIADHO C([NH2+]C1CCC2(CCCC2)CC1)[C@@H]1CCCN(CC2CC2)C1 ZINC001461664386 1063645399 /nfs/dbraw/zinc/64/53/99/1063645399.db2.gz QKBVMJKOMPXZTF-SFHVURJKSA-N 1 3 304.522 4.201 20 0 DIADHO C[C@H](CC1CC1)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001258454809 1063661009 /nfs/dbraw/zinc/66/10/09/1063661009.db2.gz RAENJNRMUFFZTO-OAHLLOKOSA-N 1 3 320.908 4.330 20 0 DIADHO C[C@@H](CC1CC1)[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001258453926 1063661703 /nfs/dbraw/zinc/66/17/03/1063661703.db2.gz GZVVXPYFQMDSAZ-HNNXBMFYSA-N 1 3 320.908 4.330 20 0 DIADHO CCC[C@H](Cc1ccccc1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001258652555 1063725734 /nfs/dbraw/zinc/72/57/34/1063725734.db2.gz YEGYKAAWQIOJPI-HXUWFJFHSA-N 1 3 314.517 4.394 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)N1CCC([N@H+](C)CC)CC1 ZINC001258711381 1063767792 /nfs/dbraw/zinc/76/77/92/1063767792.db2.gz AELHKMWFHVKQJX-FQEVSTJZSA-N 1 3 302.506 4.204 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)N1CCC([N@@H+](C)CC)CC1 ZINC001258711381 1063767804 /nfs/dbraw/zinc/76/78/04/1063767804.db2.gz AELHKMWFHVKQJX-FQEVSTJZSA-N 1 3 302.506 4.204 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)[NH+]1CCC(N(C)CC)CC1 ZINC001258711381 1063767814 /nfs/dbraw/zinc/76/78/14/1063767814.db2.gz AELHKMWFHVKQJX-FQEVSTJZSA-N 1 3 302.506 4.204 20 0 DIADHO C[C@H](Cc1cccc(Cl)c1)[NH2+]CCCN1CCCC[C@@H]1C ZINC001258738396 1063786440 /nfs/dbraw/zinc/78/64/40/1063786440.db2.gz RGCNVMOIKCQHJF-CVEARBPZSA-N 1 3 308.897 4.125 20 0 DIADHO C[C@H](Cc1cccc(Cl)c1)[NH2+]CCCN1CCCC[C@H]1C ZINC001258738398 1063787466 /nfs/dbraw/zinc/78/74/66/1063787466.db2.gz RGCNVMOIKCQHJF-HZPDHXFCSA-N 1 3 308.897 4.125 20 0 DIADHO C[C@H](Cc1cccc(Cl)c1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001258741616 1063791043 /nfs/dbraw/zinc/79/10/43/1063791043.db2.gz NBARULUTZGJBOB-CRAIPNDOSA-N 1 3 320.908 4.268 20 0 DIADHO C[C@H](Cc1cccc(Cl)c1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001258741616 1063791054 /nfs/dbraw/zinc/79/10/54/1063791054.db2.gz NBARULUTZGJBOB-CRAIPNDOSA-N 1 3 320.908 4.268 20 0 DIADHO CCC[NH+]1CCC(N[C@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC001258768826 1063812748 /nfs/dbraw/zinc/81/27/48/1063812748.db2.gz YLXFXUFQAVTOFP-IBGZPJMESA-N 1 3 304.453 4.131 20 0 DIADHO CCC[NH+]1CCC(N[C@H](CC2CCC2)c2ccccc2)CC1 ZINC001258770172 1063813679 /nfs/dbraw/zinc/81/36/79/1063813679.db2.gz FTRNPBYPIQIKIG-HXUWFJFHSA-N 1 3 300.490 4.382 20 0 DIADHO CC[C@H](C[C@@H](C)CC)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001258784159 1063821779 /nfs/dbraw/zinc/82/17/79/1063821779.db2.gz NOGULIOHPYKNPS-FXAWDEMLSA-N 1 3 317.521 4.098 20 0 DIADHO CC[C@@H](C)C[C@H](CC)[NH+]1CCC(N)(Cc2ccccc2)CC1 ZINC001258785880 1063823943 /nfs/dbraw/zinc/82/39/43/1063823943.db2.gz JPQLJCQZMNCJEM-MJGOQNOKSA-N 1 3 302.506 4.237 20 0 DIADHO CC(C)C1CCC(N2CCC([NH3+])(c3ccccc3)CC2)CC1 ZINC001258802529 1063835962 /nfs/dbraw/zinc/83/59/62/1063835962.db2.gz QSPDNLMONUSNEQ-UHFFFAOYSA-N 1 3 300.490 4.151 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)NCc1c(F)ccc(Cl)c1F ZINC001258898681 1063874763 /nfs/dbraw/zinc/87/47/63/1063874763.db2.gz OYKXRMRIKUKQRL-LBPRGKRZSA-N 1 3 318.839 4.218 20 0 DIADHO Cc1ccc(CC[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)cc1C ZINC001462079485 1063918752 /nfs/dbraw/zinc/91/87/52/1063918752.db2.gz JKCFAMXTCNIPBM-ICSRJNTNSA-N 1 3 314.517 4.089 20 0 DIADHO C[C@H](CC[NH2+][C@@H]1CCc2cccc(Cl)c2C1)N1CCCCC1 ZINC001462081785 1063920706 /nfs/dbraw/zinc/92/07/06/1063920706.db2.gz GZXRVRXRFUXYTR-NVXWUHKLSA-N 1 3 320.908 4.051 20 0 DIADHO C[C@H](CC[NH2+][C@@H](C)CCc1ccc(F)cc1)N1CCCCC1 ZINC001462084308 1063921265 /nfs/dbraw/zinc/92/12/65/1063921265.db2.gz LWJZNSZBAAQMLC-DLBZAZTESA-N 1 3 306.469 4.001 20 0 DIADHO CC1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000381776093 1063992803 /nfs/dbraw/zinc/99/28/03/1063992803.db2.gz CYABKXIPQZSVFI-OHEMXVPPSA-N 1 3 312.501 4.065 20 0 DIADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000381810948 1063993619 /nfs/dbraw/zinc/99/36/19/1063993619.db2.gz ZSOFQPQFINGWNB-SDZDHKAXSA-N 1 3 312.501 4.065 20 0 DIADHO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)CCCC2 ZINC000390848069 1064171354 /nfs/dbraw/zinc/17/13/54/1064171354.db2.gz CBRPBKQNKPAJLX-YOYVGRRSSA-N 1 3 312.501 4.231 20 0 DIADHO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)CCCC2 ZINC000390848069 1064171356 /nfs/dbraw/zinc/17/13/56/1064171356.db2.gz CBRPBKQNKPAJLX-YOYVGRRSSA-N 1 3 312.501 4.231 20 0 DIADHO CC(C)(C)N1CCC([NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000393370777 1064275141 /nfs/dbraw/zinc/27/51/41/1064275141.db2.gz MCDQVLDFLBUTSY-IBGZPJMESA-N 1 3 300.490 4.307 20 0 DIADHO CC(C)(C)[NH+]1CCC(N[C@H]2CCCCc3ccccc32)CC1 ZINC000393370777 1064275149 /nfs/dbraw/zinc/27/51/49/1064275149.db2.gz MCDQVLDFLBUTSY-IBGZPJMESA-N 1 3 300.490 4.307 20 0 DIADHO C[NH2+][C@@]12CC[C@@](NCc3ccc(OC)c4ccccc34)(C1)CCC2 ZINC001279159673 1064336861 /nfs/dbraw/zinc/33/68/61/1064336861.db2.gz ZEBSTCPEWNQUHK-LEWJYISDSA-N 1 3 324.468 4.003 20 0 DIADHO CC1=C[C@H](C)[C@@H](C[N@@H+]2CC[C@H]3[C@@H]2CCN3C2CCCC2)CC1 ZINC001279490965 1064352955 /nfs/dbraw/zinc/35/29/55/1064352955.db2.gz VUAXIHWBSDIXLN-HNJRGHQBSA-N 1 3 302.506 4.070 20 0 DIADHO CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@H]3[C@@H]2CCN3C2CCCC2)CC1 ZINC001279490965 1064352963 /nfs/dbraw/zinc/35/29/63/1064352963.db2.gz VUAXIHWBSDIXLN-HNJRGHQBSA-N 1 3 302.506 4.070 20 0 DIADHO CN(C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)CC1CC1 ZINC001307421961 1065382695 /nfs/dbraw/zinc/38/26/95/1065382695.db2.gz LFGZDEAUFKWFFD-QFIPXVFZSA-N 1 3 322.496 4.244 20 0 DIADHO CN(C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)CC1CC1 ZINC001307421961 1065382701 /nfs/dbraw/zinc/38/27/01/1065382701.db2.gz LFGZDEAUFKWFFD-QFIPXVFZSA-N 1 3 322.496 4.244 20 0 DIADHO CCCc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC001307593430 1065505198 /nfs/dbraw/zinc/50/51/98/1065505198.db2.gz ZDYDRGDKUFKUNI-CTNGQTDRSA-N 1 3 312.501 4.088 20 0 DIADHO CCCc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC001307593430 1065505209 /nfs/dbraw/zinc/50/52/09/1065505209.db2.gz ZDYDRGDKUFKUNI-CTNGQTDRSA-N 1 3 312.501 4.088 20 0 DIADHO C[N@H+](CCCN1CCCC1)C1c2ccccc2-c2ccccc21 ZINC001307726808 1065588561 /nfs/dbraw/zinc/58/85/61/1065588561.db2.gz ZFUKHMZYHGLPEU-UHFFFAOYSA-N 1 3 306.453 4.174 20 0 DIADHO C[N@@H+](CCCN1CCCC1)C1c2ccccc2-c2ccccc21 ZINC001307726808 1065588568 /nfs/dbraw/zinc/58/85/68/1065588568.db2.gz ZFUKHMZYHGLPEU-UHFFFAOYSA-N 1 3 306.453 4.174 20 0 DIADHO CCC1([NH+]2CCCCC2)CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001308041130 1065738724 /nfs/dbraw/zinc/73/87/24/1065738724.db2.gz BKDDOCGBJWVTLA-CEXWTWQISA-N 1 3 304.522 4.153 20 0 DIADHO Cc1cc(C)c(/C=C\C[NH2+]C2CCN(CC3CC3)CC2)cc1C ZINC001308208230 1065817266 /nfs/dbraw/zinc/81/72/66/1065817266.db2.gz NCULFPZTLAVUCA-PLNGDYQASA-N 1 3 312.501 4.089 20 0 DIADHO C[C@@H]1CC([NH2+]C2CCN(CC3CCCCC3)CC2)C[C@@H](C)C1 ZINC001308238196 1065844121 /nfs/dbraw/zinc/84/41/21/1065844121.db2.gz UHSPFIMWUYRBGK-IRXDYDNUSA-N 1 3 306.538 4.445 20 0 DIADHO C[C@H]1CCC[C@@H]1[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001308250586 1065854063 /nfs/dbraw/zinc/85/40/63/1065854063.db2.gz GAMGYMCIKFRLQP-KXBFYZLASA-N 1 3 320.908 4.330 20 0 DIADHO C[C@@H](CC[NH2+]Cc1ccc(Sc2ccccc2)cc1)N(C)C ZINC001308478926 1066018671 /nfs/dbraw/zinc/01/86/71/1066018671.db2.gz LRVXKHJQHUROTD-INIZCTEOSA-N 1 3 314.498 4.268 20 0 DIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(CC3CCC3)c2)[C@@H](C)C1 ZINC001308567729 1066078895 /nfs/dbraw/zinc/07/88/95/1066078895.db2.gz KLEJUFXXJDBNER-LAUBAEHRSA-N 1 3 314.517 4.191 20 0 DIADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(CC3CCC3)c2)[C@@H](C)C1 ZINC001308567729 1066078899 /nfs/dbraw/zinc/07/88/99/1066078899.db2.gz KLEJUFXXJDBNER-LAUBAEHRSA-N 1 3 314.517 4.191 20 0 DIADHO CC1=CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001308636141 1066130334 /nfs/dbraw/zinc/13/03/34/1066130334.db2.gz UGQHBTQYYXCXFM-MYGLTJDJSA-N 1 3 324.512 4.376 20 0 DIADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]C4CCCCC4)[C@@H]3C2)cc1 ZINC001308636362 1066131719 /nfs/dbraw/zinc/13/17/19/1066131719.db2.gz ZRLGMWZMVCKNMO-CEWLAPEOSA-N 1 3 312.501 4.209 20 0 DIADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2cccs2)cc1 ZINC001308747214 1066221406 /nfs/dbraw/zinc/22/14/06/1066221406.db2.gz WDOGUABVXHTWCL-YJBOKZPZSA-N 1 3 314.498 4.187 20 0 DIADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2cccs2)cc1 ZINC001308747214 1066221418 /nfs/dbraw/zinc/22/14/18/1066221418.db2.gz WDOGUABVXHTWCL-YJBOKZPZSA-N 1 3 314.498 4.187 20 0 DIADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)C1 ZINC001308863899 1066345459 /nfs/dbraw/zinc/34/54/59/1066345459.db2.gz ODCOYFDWBVPELX-HOJAQTOUSA-N 1 3 300.490 4.034 20 0 DIADHO CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+]CC[C@@H](C)N(C)C)cc1 ZINC001308881963 1066362016 /nfs/dbraw/zinc/36/20/16/1066362016.db2.gz BGTKCMTYNTZWOO-KZNAEPCWSA-N 1 3 304.522 4.307 20 0 DIADHO C([NH2+][C@@H]1CCCCC12CCCC2)[C@@H]1CCCN(CC2CC2)C1 ZINC001308884346 1066366549 /nfs/dbraw/zinc/36/65/49/1066366549.db2.gz PZFJEUJSKGZOGC-RBUKOAKNSA-N 1 3 304.522 4.201 20 0 DIADHO C([NH2+][C@@H]1CCCCC12CCCC2)[C@H]1CCCN(CC2CC2)C1 ZINC001308884347 1066367259 /nfs/dbraw/zinc/36/72/59/1066367259.db2.gz PZFJEUJSKGZOGC-RTBURBONSA-N 1 3 304.522 4.201 20 0 DIADHO Cc1cc(C)c(/C=C/C[N@@H+](C)CC(C)(C)CN(C)C)cc1C ZINC001308969480 1066425152 /nfs/dbraw/zinc/42/51/52/1066425152.db2.gz SVGPOVBANUKKRQ-MDZDMXLPSA-N 1 3 302.506 4.145 20 0 DIADHO Cc1cc(C)c(/C=C/C[N@H+](C)CC(C)(C)CN(C)C)cc1C ZINC001308969480 1066425155 /nfs/dbraw/zinc/42/51/55/1066425155.db2.gz SVGPOVBANUKKRQ-MDZDMXLPSA-N 1 3 302.506 4.145 20 0 DIADHO CCN(CC)CC[C@@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1ccccc1 ZINC001308981211 1066430994 /nfs/dbraw/zinc/43/09/94/1066430994.db2.gz GDNSXRTWHIHANG-VNTMZGSJSA-N 1 3 300.490 4.238 20 0 DIADHO CCCC[C@H](CC)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000556611645 331720243 /nfs/dbraw/zinc/72/02/43/331720243.db2.gz SANWCPWJJDNHHR-SFHVURJKSA-N 1 3 318.505 4.218 20 0 DIADHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)C1 ZINC000262057281 331915625 /nfs/dbraw/zinc/91/56/25/331915625.db2.gz DNARXWPXYMCWMN-OLMNGRFOSA-N 1 3 318.427 4.008 20 0 DIADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccccc2Cl)C1 ZINC000518266208 332002903 /nfs/dbraw/zinc/00/29/03/332002903.db2.gz QLAMPTIRKGSEMG-HOTGVXAUSA-N 1 3 308.897 4.188 20 0 DIADHO CC(C)Oc1ccc([C@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000131770268 332033392 /nfs/dbraw/zinc/03/33/92/332033392.db2.gz QMNZLLDTLIIWNG-UXDRXVOSSA-N 1 3 316.489 4.140 20 0 DIADHO CC(C)Oc1ccc([C@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000131770268 332033394 /nfs/dbraw/zinc/03/33/94/332033394.db2.gz QMNZLLDTLIIWNG-UXDRXVOSSA-N 1 3 316.489 4.140 20 0 DIADHO CCc1oc2ccccc2c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000131775611 332033497 /nfs/dbraw/zinc/03/34/97/332033497.db2.gz NRZIGDBTABNGRD-MQVJKMGUSA-N 1 3 312.457 4.100 20 0 DIADHO CCc1oc2ccccc2c1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000131775611 332033499 /nfs/dbraw/zinc/03/34/99/332033499.db2.gz NRZIGDBTABNGRD-MQVJKMGUSA-N 1 3 312.457 4.100 20 0 DIADHO CCc1oc2ccccc2c1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000131775611 332033500 /nfs/dbraw/zinc/03/35/00/332033500.db2.gz NRZIGDBTABNGRD-MQVJKMGUSA-N 1 3 312.457 4.100 20 0 DIADHO CC[C@H](CC(F)(F)F)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000569535854 332128353 /nfs/dbraw/zinc/12/83/53/332128353.db2.gz UHEBQSDRXRQIOE-CYBMUJFWSA-N 1 3 306.416 4.104 20 0 DIADHO CC(C)[C@@H]1C[C@@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000448028900 332201333 /nfs/dbraw/zinc/20/13/33/332201333.db2.gz PIDMDSPQWFXCSJ-UGNRZPKXSA-N 1 3 312.501 4.130 20 0 DIADHO CC(C)[C@@H]1C[C@@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000448028900 332201335 /nfs/dbraw/zinc/20/13/35/332201335.db2.gz PIDMDSPQWFXCSJ-UGNRZPKXSA-N 1 3 312.501 4.130 20 0 DIADHO CC[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000394272455 332207534 /nfs/dbraw/zinc/20/75/34/332207534.db2.gz AILNCKUMBOROOZ-IEBWSBKVSA-N 1 3 314.498 4.311 20 0 DIADHO CC[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000394272455 332207535 /nfs/dbraw/zinc/20/75/35/332207535.db2.gz AILNCKUMBOROOZ-IEBWSBKVSA-N 1 3 314.498 4.311 20 0 DIADHO COc1ccc(Cl)cc1[C@@H](C)NCCCCC[NH+]1CCCC1 ZINC000559891288 332289759 /nfs/dbraw/zinc/28/97/59/332289759.db2.gz OWYAWMCLKMKBGY-OAHLLOKOSA-N 1 3 324.896 4.265 20 0 DIADHO C[C@H](NCCCCC[NH+]1CCCC1)c1ccc(F)cc1Cl ZINC000559891000 332289986 /nfs/dbraw/zinc/28/99/86/332289986.db2.gz RDACXEDLJXIJEK-AWEZNQCLSA-N 1 3 312.860 4.396 20 0 DIADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(Cl)c(Cl)c1 ZINC000570333112 332740155 /nfs/dbraw/zinc/74/01/55/332740155.db2.gz PPBNSQVDYVHMMU-LLVKDONJSA-N 1 3 309.240 4.303 20 0 DIADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cc3ccccc3o2)C1 ZINC000518763342 333006030 /nfs/dbraw/zinc/00/60/30/333006030.db2.gz DBKDYJJZESIERU-CALCHBBNSA-N 1 3 314.473 4.281 20 0 DIADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cc3ccccc3o2)C1 ZINC000518763342 333006031 /nfs/dbraw/zinc/00/60/31/333006031.db2.gz DBKDYJJZESIERU-CALCHBBNSA-N 1 3 314.473 4.281 20 0 DIADHO CC(C)c1ccc(CC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000580291574 333063860 /nfs/dbraw/zinc/06/38/60/333063860.db2.gz DQIKFAWTIVQAAS-UHFFFAOYSA-N 1 3 323.484 4.006 20 0 DIADHO CC(C)[N@H+](C)CC1CCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC000526057260 333113838 /nfs/dbraw/zinc/11/38/38/333113838.db2.gz ANCCGOCRUVPUDN-PLNGDYQASA-N 1 3 320.908 4.405 20 0 DIADHO CC(C)[N@@H+](C)CC1CCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC000526057260 333113840 /nfs/dbraw/zinc/11/38/40/333113840.db2.gz ANCCGOCRUVPUDN-PLNGDYQASA-N 1 3 320.908 4.405 20 0 DIADHO C[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)c1cccc(Cl)c1 ZINC000188095339 333159350 /nfs/dbraw/zinc/15/93/50/333159350.db2.gz CNIXOTKTRXDNTL-HNNXBMFYSA-N 1 3 320.908 4.440 20 0 DIADHO C[C@@H](CNC1CC[NH+](C2CCCC2)CC1)c1cccc(Cl)c1 ZINC000188095339 333159352 /nfs/dbraw/zinc/15/93/52/333159352.db2.gz CNIXOTKTRXDNTL-HNNXBMFYSA-N 1 3 320.908 4.440 20 0 DIADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(-c3ccccc3)cc2)C1 ZINC000320684158 335123711 /nfs/dbraw/zinc/12/37/11/335123711.db2.gz PHGUAZHIAKMYSN-MSOLQXFVSA-N 1 3 308.469 4.346 20 0 DIADHO c1ccc(C[N@H+]2CC[C@H](CN[C@@H]3CCCc4ccccc43)C2)cc1 ZINC000310090905 333217923 /nfs/dbraw/zinc/21/79/23/333217923.db2.gz RAKAELLFKSZUAY-DENIHFKCSA-N 1 3 320.480 4.176 20 0 DIADHO c1ccc(C[N@@H+]2CC[C@H](CN[C@@H]3CCCc4ccccc43)C2)cc1 ZINC000310090905 333217924 /nfs/dbraw/zinc/21/79/24/333217924.db2.gz RAKAELLFKSZUAY-DENIHFKCSA-N 1 3 320.480 4.176 20 0 DIADHO C[C@@H](C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)CN1CCCC1 ZINC000497823623 333297233 /nfs/dbraw/zinc/29/72/33/333297233.db2.gz TYJHWHPPLCZGKT-JXFKEZNVSA-N 1 3 316.464 4.083 20 0 DIADHO CC(C)[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(F)cn1 ZINC000497851904 333301449 /nfs/dbraw/zinc/30/14/49/333301449.db2.gz HPSLGVMAFIIPRM-APWZRJJASA-N 1 3 321.484 4.020 20 0 DIADHO CC(C)[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(F)cn1 ZINC000497851904 333301452 /nfs/dbraw/zinc/30/14/52/333301452.db2.gz HPSLGVMAFIIPRM-APWZRJJASA-N 1 3 321.484 4.020 20 0 DIADHO COc1ccc2cc([C@@H](C)[NH2+]CCCN(C)C(C)C)ccc2c1 ZINC000323550594 333388457 /nfs/dbraw/zinc/38/84/57/333388457.db2.gz GUEIGMFXZNRBEJ-MRXNPFEDSA-N 1 3 314.473 4.229 20 0 DIADHO c1ccc2c(c1)CC[C@H]2NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000531690525 333545620 /nfs/dbraw/zinc/54/56/20/333545620.db2.gz WGUDQMBKQMSNPO-JOCHJYFZSA-N 1 3 320.480 4.450 20 0 DIADHO FC(F)C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411333445 333654844 /nfs/dbraw/zinc/65/48/44/333654844.db2.gz XCMRBYNJLBRQCR-UHFFFAOYSA-N 1 3 322.443 4.150 20 0 DIADHO C[C@@H](C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)CC(F)(F)F ZINC000414284095 333933371 /nfs/dbraw/zinc/93/33/71/333933371.db2.gz QBZBDTZZUHRCLO-IIAWOOMASA-N 1 3 320.443 4.208 20 0 DIADHO C[C@H]1C[C@@H](CN(Cc2cccs2)Cc2cccs2)CC[NH2+]1 ZINC000414684853 334068733 /nfs/dbraw/zinc/06/87/33/334068733.db2.gz XABZRSAFGIPMMJ-GJZGRUSLSA-N 1 3 320.527 4.200 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CNCc2cc(Cl)cc(Cl)c2)cc1 ZINC000414807666 334104226 /nfs/dbraw/zinc/10/42/26/334104226.db2.gz JAYYBSZNSYQDNO-LLVKDONJSA-N 1 3 309.240 4.303 20 0 DIADHO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000414951386 334207406 /nfs/dbraw/zinc/20/74/06/334207406.db2.gz PTYCUMIMYIOEMN-GLQYFDAESA-N 1 3 315.288 4.045 20 0 DIADHO CC[C@H](Cc1ccc(Cl)cc1Cl)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414951386 334207407 /nfs/dbraw/zinc/20/74/07/334207407.db2.gz PTYCUMIMYIOEMN-GLQYFDAESA-N 1 3 315.288 4.045 20 0 DIADHO C[C@H]1CNCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000414960502 334211502 /nfs/dbraw/zinc/21/15/02/334211502.db2.gz QVZLPWMYQZMMQW-BLLLJJGKSA-N 1 3 320.889 4.156 20 0 DIADHO C[C@@H]1CNCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000414960507 334211571 /nfs/dbraw/zinc/21/15/71/334211571.db2.gz QVZLPWMYQZMMQW-WBMJQRKESA-N 1 3 320.889 4.156 20 0 DIADHO CCSc1cccc(CN[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000415056741 334261634 /nfs/dbraw/zinc/26/16/34/334261634.db2.gz QNPJJNFXZGYLTO-IBGZPJMESA-N 1 3 314.498 4.368 20 0 DIADHO [NH3+]CCC[C@H](NCc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000415060375 334262098 /nfs/dbraw/zinc/26/20/98/334262098.db2.gz WNHWIENXXVNOCT-KRWDZBQOSA-N 1 3 306.812 4.049 20 0 DIADHO [NH3+]CCC[C@@H](NCc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000415060377 334262142 /nfs/dbraw/zinc/26/21/42/334262142.db2.gz WNHWIENXXVNOCT-QGZVFWFLSA-N 1 3 306.812 4.049 20 0 DIADHO CCC[C@@H](N[C@@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000415098544 334281266 /nfs/dbraw/zinc/28/12/66/334281266.db2.gz FNTPDHFVJGPMMO-HZPDHXFCSA-N 1 3 314.395 4.278 20 0 DIADHO CC(C)(CN[C@H]1CCC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000415113015 334282145 /nfs/dbraw/zinc/28/21/45/334282145.db2.gz SFAOWRCGPPIXFD-LBPRGKRZSA-N 1 3 315.288 4.003 20 0 DIADHO CC(C)(CN[C@@H]1CCC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000415113013 334282348 /nfs/dbraw/zinc/28/23/48/334282348.db2.gz SFAOWRCGPPIXFD-GFCCVEGCSA-N 1 3 315.288 4.003 20 0 DIADHO CC(C)CCOc1ccc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000531972606 334336867 /nfs/dbraw/zinc/33/68/67/334336867.db2.gz ZSWWJTYCZTZFHX-ZWKOTPCHSA-N 1 3 318.505 4.104 20 0 DIADHO CC(C)CCOc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000531972606 334336869 /nfs/dbraw/zinc/33/68/69/334336869.db2.gz ZSWWJTYCZTZFHX-ZWKOTPCHSA-N 1 3 318.505 4.104 20 0 DIADHO C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000531988796 334364261 /nfs/dbraw/zinc/36/42/61/334364261.db2.gz SBKARNGXJPKJEH-PLMTUMEDSA-N 1 3 308.469 4.317 20 0 DIADHO C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000531988796 334364263 /nfs/dbraw/zinc/36/42/63/334364263.db2.gz SBKARNGXJPKJEH-PLMTUMEDSA-N 1 3 308.469 4.317 20 0 DIADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccsc2)cc1 ZINC000050339223 334382033 /nfs/dbraw/zinc/38/20/33/334382033.db2.gz FZEUAXGDWRRHPT-HNNXBMFYSA-N 1 3 302.487 4.441 20 0 DIADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)c2ccccc21 ZINC000343658946 335185863 /nfs/dbraw/zinc/18/58/63/335185863.db2.gz RVLSMOURQRZKGP-IIBYNOLFSA-N 1 3 321.468 4.136 20 0 DIADHO COc1ccc([C@H](CCC(C)C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000344306443 335239230 /nfs/dbraw/zinc/23/92/30/335239230.db2.gz WPDWWUFTGWXONG-FQEVSTJZSA-N 1 3 316.489 4.024 20 0 DIADHO CC(C)Sc1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2)cc1 ZINC000519402136 335844290 /nfs/dbraw/zinc/84/42/90/335844290.db2.gz ZOVZFOOHBWHQDQ-OAHLLOKOSA-N 1 3 314.498 4.497 20 0 DIADHO CC(C)C[C@H](NCCCCC[NH+]1CCCCC1)c1ccccn1 ZINC000532228537 335920706 /nfs/dbraw/zinc/92/07/06/335920706.db2.gz CXGKLMSAMPOBCP-FQEVSTJZSA-N 1 3 317.521 4.415 20 0 DIADHO Cc1ccc([C@@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000162939384 338512532 /nfs/dbraw/zinc/51/25/32/338512532.db2.gz WKZIDWLWOTZCKQ-GOSISDBHSA-N 1 3 308.469 4.442 20 0 DIADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc2c(c1)CCCC2 ZINC000532455078 336248257 /nfs/dbraw/zinc/24/82/57/336248257.db2.gz FSJDYZNPAKWUSR-KRWDZBQOSA-N 1 3 322.496 4.478 20 0 DIADHO Cc1ccccc1C[NH+]1CCC(N[C@H]2CCc3ccccc32)CC1 ZINC000532476315 336251224 /nfs/dbraw/zinc/25/12/24/336251224.db2.gz TYMXSARZJZKPQT-QFIPXVFZSA-N 1 3 320.480 4.237 20 0 DIADHO Cc1cccc([C@@H](C)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000532485499 336251645 /nfs/dbraw/zinc/25/16/45/336251645.db2.gz RCGMXFZSPVFEMM-TZIWHRDSSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1cccc([C@@H](C)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000532485499 336251646 /nfs/dbraw/zinc/25/16/46/336251646.db2.gz RCGMXFZSPVFEMM-TZIWHRDSSA-N 1 3 322.496 4.210 20 0 DIADHO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c1 ZINC000532485499 336251647 /nfs/dbraw/zinc/25/16/47/336251647.db2.gz RCGMXFZSPVFEMM-TZIWHRDSSA-N 1 3 322.496 4.210 20 0 DIADHO CCCc1cc(NC2CC[NH+](C3CC3)CC2)c2ccccc2n1 ZINC000301775706 336329052 /nfs/dbraw/zinc/32/90/52/336329052.db2.gz GIRWDWSETBQHEM-UHFFFAOYSA-N 1 3 309.457 4.226 20 0 DIADHO c1ccc2c(c1)CCC[C@H]2NCc1cccc(C[NH+]2CCCC2)c1 ZINC000353030897 336382949 /nfs/dbraw/zinc/38/29/49/336382949.db2.gz BKTWSKVBPAGCAE-JOCHJYFZSA-N 1 3 320.480 4.450 20 0 DIADHO CCC[NH+]1CCC(N[C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000035011955 336391105 /nfs/dbraw/zinc/39/11/05/336391105.db2.gz KNPZTXCIBJMSFT-GOSISDBHSA-N 1 3 306.881 4.255 20 0 DIADHO FC1(F)CCC(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000370011962 336875933 /nfs/dbraw/zinc/87/59/33/336875933.db2.gz VRZOPMWVJQITPN-UHFFFAOYSA-N 1 3 314.464 4.199 20 0 DIADHO C[NH+](C)Cc1ccc(CN[C@H]2CCCc3cc(F)ccc32)cc1 ZINC000122323263 337004275 /nfs/dbraw/zinc/00/42/75/337004275.db2.gz YPFLWTDBIDSOEL-FQEVSTJZSA-N 1 3 312.432 4.055 20 0 DIADHO CCC[NH+]1CCC(CN[C@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000122697801 337018498 /nfs/dbraw/zinc/01/84/98/337018498.db2.gz ZIBPIMMCUUXJGR-BBRMVZONSA-N 1 3 324.559 4.385 20 0 DIADHO CC(C)CN1CCC[C@@H](C[NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000582466422 337093536 /nfs/dbraw/zinc/09/35/36/337093536.db2.gz QGAUOKCNBWFLLJ-OALUTQOASA-N 1 3 302.506 4.138 20 0 DIADHO CC(C)C[N@@H+]1CCC[C@@H](CNCC[C@H](C)c2ccccc2)C1 ZINC000582466422 337093537 /nfs/dbraw/zinc/09/35/37/337093537.db2.gz QGAUOKCNBWFLLJ-OALUTQOASA-N 1 3 302.506 4.138 20 0 DIADHO CC(C)C[N@H+]1CCC[C@@H](CNCC[C@H](C)c2ccccc2)C1 ZINC000582466422 337093538 /nfs/dbraw/zinc/09/35/38/337093538.db2.gz QGAUOKCNBWFLLJ-OALUTQOASA-N 1 3 302.506 4.138 20 0 DIADHO CC[C@@H](NCC1CC[NH+](CC)CC1)c1cccc(Cl)c1F ZINC000582520176 337100193 /nfs/dbraw/zinc/10/01/93/337100193.db2.gz LFRPNQVERODSFP-MRXNPFEDSA-N 1 3 312.860 4.252 20 0 DIADHO Cc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(CN)nc1C)C(C)C ZINC000422702391 337683682 /nfs/dbraw/zinc/68/36/82/337683682.db2.gz DZJJQZLMZSGVSA-OXQOHEQNSA-N 1 3 311.473 4.205 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000422825725 337688251 /nfs/dbraw/zinc/68/82/51/337688251.db2.gz AWDUZAYQCVYHGQ-HNAYVOBHSA-N 1 3 311.473 4.287 20 0 DIADHO C[C@H](CCCC[NH3+])N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000422880969 337689916 /nfs/dbraw/zinc/68/99/16/337689916.db2.gz YCLXQPXXGDWDSO-DNVCBOLYSA-N 1 3 300.421 4.022 20 0 DIADHO CC(C)[C@H](N[C@@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000422908813 337690874 /nfs/dbraw/zinc/69/08/74/337690874.db2.gz ZJSLCSAPCLCXAQ-CVEARBPZSA-N 1 3 314.395 4.134 20 0 DIADHO CC(C)[C@@H](N[C@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000422908816 337690954 /nfs/dbraw/zinc/69/09/54/337690954.db2.gz ZJSLCSAPCLCXAQ-JKSUJKDBSA-N 1 3 314.395 4.134 20 0 DIADHO C[C@@H](CCCC[NH3+])NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000422931777 337692136 /nfs/dbraw/zinc/69/21/36/337692136.db2.gz CWVPHEMPKBDTSA-AWEZNQCLSA-N 1 3 318.411 4.161 20 0 DIADHO C[C@H](CCCC[NH3+])N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000422931911 337692144 /nfs/dbraw/zinc/69/21/44/337692144.db2.gz DADARYMILDQYHJ-DNVCBOLYSA-N 1 3 300.421 4.022 20 0 DIADHO c1ccc(CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC000422939617 337692593 /nfs/dbraw/zinc/69/25/93/337692593.db2.gz IBAMPUWARNCKMO-PJEZACDQSA-N 1 3 320.480 4.233 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000423039211 337696717 /nfs/dbraw/zinc/69/67/17/337696717.db2.gz DZCZFUFTFBXTLN-HRAATJIYSA-N 1 3 323.484 4.431 20 0 DIADHO Clc1ccc([C@H](NCC[C@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000423241552 337706771 /nfs/dbraw/zinc/70/67/71/337706771.db2.gz DEVYCJOEWJBKPX-DNVCBOLYSA-N 1 3 314.860 4.019 20 0 DIADHO C[C@@H](NCC[C@H]1CCC[NH2+]C1)c1cc(Cl)sc1Cl ZINC000423261397 337707977 /nfs/dbraw/zinc/70/79/77/337707977.db2.gz SDTCOGWLWOIBFU-NXEZZACHSA-N 1 3 307.290 4.095 20 0 DIADHO C[C@H](NCC[C@@H]1CCC[NH2+]C1)c1cc(Cl)sc1Cl ZINC000423261398 337708023 /nfs/dbraw/zinc/70/80/23/337708023.db2.gz SDTCOGWLWOIBFU-UWVGGRQHSA-N 1 3 307.290 4.095 20 0 DIADHO c1ccc([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc3c(c2)CNC3)cc1 ZINC000423367543 337714938 /nfs/dbraw/zinc/71/49/38/337714938.db2.gz CQSNABNFOWNDTD-SFTDATJTSA-N 1 3 306.453 4.106 20 0 DIADHO [NH3+]CCC[C@H](N[C@H]1CCc2ccc(Cl)cc21)c1ccccc1 ZINC000423498864 337723098 /nfs/dbraw/zinc/72/30/98/337723098.db2.gz IMJNGBJDKZYQSK-OALUTQOASA-N 1 3 314.860 4.397 20 0 DIADHO [NH3+]CCC[C@@H](N[C@H]1CCc2ccc(Cl)cc21)c1ccccc1 ZINC000423498858 337723181 /nfs/dbraw/zinc/72/31/81/337723181.db2.gz IMJNGBJDKZYQSK-MOPGFXCFSA-N 1 3 314.860 4.397 20 0 DIADHO CCc1nc(C)c([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000423515264 337724204 /nfs/dbraw/zinc/72/42/04/337724204.db2.gz XGPOTMZLBBZHEQ-CJNGLKHVSA-N 1 3 317.502 4.145 20 0 DIADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc(Cl)sc1Cl ZINC000423538212 337725156 /nfs/dbraw/zinc/72/51/56/337725156.db2.gz FUCQUBUCAQDAGR-XWLWVQCSSA-N 1 3 319.301 4.094 20 0 DIADHO Cc1cc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)cc(C)c1F ZINC000123727312 337832318 /nfs/dbraw/zinc/83/23/18/337832318.db2.gz RIDRAMKWOFTFJC-MRXNPFEDSA-N 1 3 314.448 4.355 20 0 DIADHO C[NH+](C)Cc1ccc(CN[C@@H](c2ccc(F)cc2)C2CC2)cc1 ZINC000536956399 337858184 /nfs/dbraw/zinc/85/81/84/337858184.db2.gz WEUKQHNHKCVBAY-HXUWFJFHSA-N 1 3 312.432 4.128 20 0 DIADHO Cc1ncc([C@@H](C)NC2CCC([NH+]3CCC(C)CC3)CC2)s1 ZINC000090775457 337885276 /nfs/dbraw/zinc/88/52/76/337885276.db2.gz XEZGXULEPWDZTQ-ODIFPOPNSA-N 1 3 321.534 4.145 20 0 DIADHO Cc1ccc([C@H](C)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000123071664 337943207 /nfs/dbraw/zinc/94/32/07/337943207.db2.gz RMQOZVILBNLWGL-SFHVURJKSA-N 1 3 308.469 4.442 20 0 DIADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000430746698 338113298 /nfs/dbraw/zinc/11/32/98/338113298.db2.gz IRFAEMKTMNFCRW-VYDXJSESSA-N 1 3 314.464 4.055 20 0 DIADHO CN(C)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000432814786 338168949 /nfs/dbraw/zinc/16/89/49/338168949.db2.gz BDEKDMXBNJGGQG-QGZVFWFLSA-N 1 3 314.498 4.331 20 0 DIADHO CN(C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000432814786 338168950 /nfs/dbraw/zinc/16/89/50/338168950.db2.gz BDEKDMXBNJGGQG-QGZVFWFLSA-N 1 3 314.498 4.331 20 0 DIADHO CC1(C)CCc2ccccc2[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000436307934 338268298 /nfs/dbraw/zinc/26/82/98/338268298.db2.gz OTVQBBKUBNIBOY-CMKODMSKSA-N 1 3 312.501 4.307 20 0 DIADHO CC1(C)CCc2ccccc2[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000436307934 338268299 /nfs/dbraw/zinc/26/82/99/338268299.db2.gz OTVQBBKUBNIBOY-CMKODMSKSA-N 1 3 312.501 4.307 20 0 DIADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000436312120 338268480 /nfs/dbraw/zinc/26/84/80/338268480.db2.gz JRERLDIJFHQYLA-GIVPXCGWSA-N 1 3 314.517 4.280 20 0 DIADHO CCN(C)C[C@@H]1CC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000438849099 338353780 /nfs/dbraw/zinc/35/37/80/338353780.db2.gz DDCBEZNGWSLUER-IBGZPJMESA-N 1 3 322.496 4.092 20 0 DIADHO CCN(C)C[C@@H]1CC[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000438849099 338353781 /nfs/dbraw/zinc/35/37/81/338353781.db2.gz DDCBEZNGWSLUER-IBGZPJMESA-N 1 3 322.496 4.092 20 0 DIADHO C[C@@H]([NH2+]CCc1cccc(Cl)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000459454133 339030174 /nfs/dbraw/zinc/03/01/74/339030174.db2.gz BOPMMIMBTHGXDA-NVXWUHKLSA-N 1 3 320.908 4.125 20 0 DIADHO C[C@H]([NH2+]CCc1cccc(Cl)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000459454132 339030187 /nfs/dbraw/zinc/03/01/87/339030187.db2.gz BOPMMIMBTHGXDA-DOTOQJQBSA-N 1 3 320.908 4.125 20 0 DIADHO Cc1cccc(C)c1[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459478224 339031605 /nfs/dbraw/zinc/03/16/05/339031605.db2.gz KKWJOKHSMBUEHH-QGZVFWFLSA-N 1 3 309.457 4.018 20 0 DIADHO CC(C)(C[NH2+]C1CCN(c2ccncc2)CC1)C1=CCCCC1 ZINC000459540865 339034844 /nfs/dbraw/zinc/03/48/44/339034844.db2.gz VHNLYYHKGWZUOI-UHFFFAOYSA-N 1 3 313.489 4.167 20 0 DIADHO CC[NH+](CC)CC1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000461393723 339062971 /nfs/dbraw/zinc/06/29/71/339062971.db2.gz ZXQAYPJXQRAWQK-UHFFFAOYSA-N 1 3 310.432 4.178 20 0 DIADHO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC000462780839 339088120 /nfs/dbraw/zinc/08/81/20/339088120.db2.gz ZOCGEDZRURRZMM-HLAWJBBLSA-N 1 3 314.517 4.109 20 0 DIADHO CC[NH+](CC)CC1CCN(c2cc(C)nc3ccccc32)CC1 ZINC000462784525 339088479 /nfs/dbraw/zinc/08/84/79/339088479.db2.gz GDOZFZNCVOPPHP-UHFFFAOYSA-N 1 3 311.473 4.101 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)C1 ZINC000464082607 339133656 /nfs/dbraw/zinc/13/36/56/339133656.db2.gz PEAPKWNVMKDVPO-MISYRCLQSA-N 1 3 314.517 4.279 20 0 DIADHO C[C@H](CC[NH2+]CC1CCC(C(F)(F)F)CC1)N1CCCCC1 ZINC000466358030 339200461 /nfs/dbraw/zinc/20/04/61/339200461.db2.gz SPFUYXHAZFOSCV-QQFBHYJXSA-N 1 3 320.443 4.209 20 0 DIADHO C[N@@H+]1CCCC[C@H]1CCN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000472727387 339376613 /nfs/dbraw/zinc/37/66/13/339376613.db2.gz GFGFJFCQMBSSFV-AEFFLSMTSA-N 1 3 306.881 4.004 20 0 DIADHO C[N@H+]1CCCC[C@H]1CCN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000472727387 339376614 /nfs/dbraw/zinc/37/66/14/339376614.db2.gz GFGFJFCQMBSSFV-AEFFLSMTSA-N 1 3 306.881 4.004 20 0 DIADHO CC(C)(C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)CN1CCCC1 ZINC000477950389 339505914 /nfs/dbraw/zinc/50/59/14/339505914.db2.gz ZGIXFEOVSLGLPP-MOPGFXCFSA-N 1 3 300.490 4.034 20 0 DIADHO CC(C)CC[NH+]1CCC(CN[C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000480151065 339560798 /nfs/dbraw/zinc/56/07/98/339560798.db2.gz TYTBOCNEUHSLCR-HNNXBMFYSA-N 1 3 323.912 4.144 20 0 DIADHO C[C@@H](CCCC(F)(F)F)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000480170588 339561336 /nfs/dbraw/zinc/56/13/36/339561336.db2.gz XYOYMJQNFZIAPQ-ZDUSSCGKSA-N 1 3 306.416 4.104 20 0 DIADHO CC[C@@H](NCCC1CC[NH+](C)CC1)c1cc(Cl)ccc1OC ZINC000482327735 339629516 /nfs/dbraw/zinc/62/95/16/339629516.db2.gz OUDQDNRRRDSKFQ-QGZVFWFLSA-N 1 3 324.896 4.121 20 0 DIADHO CCC[NH+]1CCC(CN[C@@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000482518742 339634554 /nfs/dbraw/zinc/63/45/54/339634554.db2.gz KTPLAWZIMWHTJL-AWEZNQCLSA-N 1 3 324.896 4.121 20 0 DIADHO CC(C)[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000482630117 339638069 /nfs/dbraw/zinc/63/80/69/339638069.db2.gz MVQBWZHYWLKTJN-OAHLLOKOSA-N 1 3 308.897 4.186 20 0 DIADHO COc1ccc([C@H](C)NCCCCC[NH+]2CCCCC2)c(F)c1 ZINC000482982560 339649136 /nfs/dbraw/zinc/64/91/36/339649136.db2.gz METXSPQRBVSRGF-INIZCTEOSA-N 1 3 322.468 4.141 20 0 DIADHO COc1ccc([C@@H](C)NCCCCC[NH+]2CCCCC2)c(F)c1 ZINC000482982561 339649155 /nfs/dbraw/zinc/64/91/55/339649155.db2.gz METXSPQRBVSRGF-MRXNPFEDSA-N 1 3 322.468 4.141 20 0 DIADHO CN1CCC[C@@H]1CC[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000502692504 340110753 /nfs/dbraw/zinc/11/07/53/340110753.db2.gz OTIJELJRDBRRKZ-OAHLLOKOSA-N 1 3 314.395 4.014 20 0 DIADHO COc1cc([C@@H](C)NCCCC[N@@H+]2CCCC[C@H]2C)ccc1F ZINC000504900203 340155375 /nfs/dbraw/zinc/15/53/75/340155375.db2.gz SZUJBAPARIJTGV-HZPDHXFCSA-N 1 3 322.468 4.140 20 0 DIADHO COc1cc([C@@H](C)NCCCC[N@H+]2CCCC[C@H]2C)ccc1F ZINC000504900203 340155376 /nfs/dbraw/zinc/15/53/76/340155376.db2.gz SZUJBAPARIJTGV-HZPDHXFCSA-N 1 3 322.468 4.140 20 0 DIADHO C[N@H+](CCCNc1ccnc2ccccc21)Cc1ccccc1 ZINC000302908705 340285818 /nfs/dbraw/zinc/28/58/18/340285818.db2.gz UHVFIXXXHQCMDA-UHFFFAOYSA-N 1 3 305.425 4.169 20 0 DIADHO C[N@@H+](CCCNc1ccnc2ccccc21)Cc1ccccc1 ZINC000302908705 340285819 /nfs/dbraw/zinc/28/58/19/340285819.db2.gz UHVFIXXXHQCMDA-UHFFFAOYSA-N 1 3 305.425 4.169 20 0 DIADHO C[C@@H](c1cccc(Cl)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000303075173 340300282 /nfs/dbraw/zinc/30/02/82/340300282.db2.gz QWUPLPQSMAJNMH-HNNXBMFYSA-N 1 3 306.881 4.209 20 0 DIADHO C[NH+](C)CCC1CCN(Cc2ccc(-c3ccccc3)o2)CC1 ZINC000511478779 340328067 /nfs/dbraw/zinc/32/80/67/340328067.db2.gz FQRYFFPZBKOCMA-UHFFFAOYSA-N 1 3 312.457 4.110 20 0 DIADHO Cc1cccc([C@H](C)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000173899545 340377145 /nfs/dbraw/zinc/37/71/45/340377145.db2.gz GFHNPNOUSROCFH-SFHVURJKSA-N 1 3 308.469 4.442 20 0 DIADHO Cc1ccc(CC[C@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)o1 ZINC000512978999 340386733 /nfs/dbraw/zinc/38/67/33/340386733.db2.gz AFKGJEDLUBMFPT-INIZCTEOSA-N 1 3 318.505 4.296 20 0 DIADHO Cc1ccc(CC[C@H](C)NC2CC[NH+](C3CCCCC3)CC2)o1 ZINC000512978999 340386734 /nfs/dbraw/zinc/38/67/34/340386734.db2.gz AFKGJEDLUBMFPT-INIZCTEOSA-N 1 3 318.505 4.296 20 0 DIADHO C1C[C@@H]2CC[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)C[C@H]2C1 ZINC000513207773 340397223 /nfs/dbraw/zinc/39/72/23/340397223.db2.gz FVKXVODREWXJTQ-ZHALLVOQSA-N 1 3 304.522 4.342 20 0 DIADHO CCC[NH+]1CCC(CN[C@@H](C)c2ccc3ccccc3n2)CC1 ZINC000178732159 340451874 /nfs/dbraw/zinc/45/18/74/340451874.db2.gz POQDWYMNNWIOSK-INIZCTEOSA-N 1 3 311.473 4.007 20 0 DIADHO CSCCCCC[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000186772511 340515779 /nfs/dbraw/zinc/51/57/79/340515779.db2.gz IQOCOBGEIVPIPA-AEFFLSMTSA-N 1 3 312.567 4.152 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CNCc1cccc2[nH]ccc21 ZINC000236913836 340666261 /nfs/dbraw/zinc/66/62/61/340666261.db2.gz DUWHDENWGOBMGJ-UHFFFAOYSA-N 1 3 321.468 4.300 20 0 DIADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)CCC2 ZINC000123622902 340792955 /nfs/dbraw/zinc/79/29/55/340792955.db2.gz OEZMEOQEWUJIST-INIZCTEOSA-N 1 3 308.469 4.088 20 0 DIADHO CC1(C)CC([NH2+]C2CCC(C(F)(F)F)CC2)CC(C)(C)N1 ZINC000068634206 340919922 /nfs/dbraw/zinc/91/99/22/340919922.db2.gz HBGHSBAMBQOXDT-UHFFFAOYSA-N 1 3 306.416 4.006 20 0 DIADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CCC(F)(F)F ZINC000541546011 340973644 /nfs/dbraw/zinc/97/36/44/340973644.db2.gz NBPPLQLVEWALCH-ILXRZTDVSA-N 1 3 308.432 4.208 20 0 DIADHO C[C@H](CCc1cccc(F)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000543080902 341030989 /nfs/dbraw/zinc/03/09/89/341030989.db2.gz JUXQARNHGNKHDI-XLIONFOSSA-N 1 3 318.480 4.097 20 0 DIADHO CSc1ccc([C@@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)cc1 ZINC000543417949 341043517 /nfs/dbraw/zinc/04/35/17/341043517.db2.gz JHSBAINAOIREGL-HZPDHXFCSA-N 1 3 306.519 4.324 20 0 DIADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[C@H](C)N2CCCCC2)cc1 ZINC000544374850 341079057 /nfs/dbraw/zinc/07/90/57/341079057.db2.gz IKURDXJCIKRURN-RCCFBDPRSA-N 1 3 318.505 4.041 20 0 DIADHO Cc1ccccc1C1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000544532091 341085133 /nfs/dbraw/zinc/08/51/33/341085133.db2.gz VRWCUTUHCMWMBM-IBGZPJMESA-N 1 3 300.490 4.049 20 0 DIADHO Cc1ccccc1C1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000544532091 341085134 /nfs/dbraw/zinc/08/51/34/341085134.db2.gz VRWCUTUHCMWMBM-IBGZPJMESA-N 1 3 300.490 4.049 20 0 DIADHO Cc1cccc(-c2ccc(CN[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)c1 ZINC000544825685 341094891 /nfs/dbraw/zinc/09/48/91/341094891.db2.gz OPAWGDFPHJYASX-LAUBAEHRSA-N 1 3 308.469 4.092 20 0 DIADHO Cc1cccc(-c2ccc(CN[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)c1 ZINC000544825685 341094892 /nfs/dbraw/zinc/09/48/92/341094892.db2.gz OPAWGDFPHJYASX-LAUBAEHRSA-N 1 3 308.469 4.092 20 0 DIADHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(Cl)s1 ZINC000544895385 341097873 /nfs/dbraw/zinc/09/78/73/341097873.db2.gz AROHGZJQORJKBF-GFCCVEGCSA-N 1 3 300.899 4.174 20 0 DIADHO CCCC[N@H+](C)CC1CCN(CCCCC(F)(F)F)CC1 ZINC000132670453 341139093 /nfs/dbraw/zinc/13/90/93/341139093.db2.gz SKMRRKJYXZCKDR-UHFFFAOYSA-N 1 3 308.432 4.163 20 0 DIADHO CCCC[N@@H+](C)CC1CCN(CCCCC(F)(F)F)CC1 ZINC000132670453 341139094 /nfs/dbraw/zinc/13/90/94/341139094.db2.gz SKMRRKJYXZCKDR-UHFFFAOYSA-N 1 3 308.432 4.163 20 0 DIADHO C[C@@H]1C[C@@H]1c1ccc(CNCCCC[NH+]2CCC(C)CC2)o1 ZINC000236843057 341203022 /nfs/dbraw/zinc/20/30/22/341203022.db2.gz FKXLQWPJNWSUFR-AEFFLSMTSA-N 1 3 304.478 4.005 20 0 DIADHO Cc1cccc2c1[C@@H](C)C[C@H]2NCc1ccc(C[NH+](C)C)cc1 ZINC000152641821 341215130 /nfs/dbraw/zinc/21/51/30/341215130.db2.gz SFARARYYWVUWGF-OXJNMPFZSA-N 1 3 308.469 4.395 20 0 DIADHO c1csc([C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CCCC2)c1 ZINC000135276413 341235239 /nfs/dbraw/zinc/23/52/39/341235239.db2.gz WTYITBALPAWYGJ-LZLYRXPVSA-N 1 3 304.503 4.196 20 0 DIADHO c1csc([C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CCCC2)c1 ZINC000135276413 341235240 /nfs/dbraw/zinc/23/52/40/341235240.db2.gz WTYITBALPAWYGJ-LZLYRXPVSA-N 1 3 304.503 4.196 20 0 DIADHO CCc1nc2ccccc2c(N2CC[C@H](C[NH+]3CCCC3)C2)c1C ZINC000549526803 341296300 /nfs/dbraw/zinc/29/63/00/341296300.db2.gz WFKWHDYXKYZBJU-QGZVFWFLSA-N 1 3 323.484 4.028 20 0 DIADHO Fc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000245736683 341312437 /nfs/dbraw/zinc/31/24/37/341312437.db2.gz QYPGBAMNWAUNRV-MZADTFQBSA-N 1 3 324.443 4.111 20 0 DIADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc(C2CC2)c1 ZINC000550997279 341328660 /nfs/dbraw/zinc/32/86/60/341328660.db2.gz JVQROKVMVZLHIM-MRXNPFEDSA-N 1 3 308.469 4.476 20 0 DIADHO CCc1cnccc1[C@H](C)N[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551083651 341331070 /nfs/dbraw/zinc/33/10/70/341331070.db2.gz KIJLJIPUOOOWKP-SCWSEQNSSA-N 1 3 323.484 4.130 20 0 DIADHO CCc1cnccc1[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551083651 341331071 /nfs/dbraw/zinc/33/10/71/341331071.db2.gz KIJLJIPUOOOWKP-SCWSEQNSSA-N 1 3 323.484 4.130 20 0 DIADHO c1c2ccccc2sc1C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000551239105 341335011 /nfs/dbraw/zinc/33/50/11/341335011.db2.gz KMDJPATUXGNMRI-UHFFFAOYSA-N 1 3 314.498 4.398 20 0 DIADHO CCCCOc1ccc([C@@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000551541664 341344745 /nfs/dbraw/zinc/34/47/45/341344745.db2.gz ULOVGIIVBGAXAY-MRXNPFEDSA-N 1 3 316.489 4.143 20 0 DIADHO C/C(=C\c1ccccc1)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246476792 341350158 /nfs/dbraw/zinc/35/01/58/341350158.db2.gz ORGHDKXWYYXBHH-DFHALEPISA-N 1 3 310.485 4.039 20 0 DIADHO C/C(=C\c1ccccc1)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246476792 341350159 /nfs/dbraw/zinc/35/01/59/341350159.db2.gz ORGHDKXWYYXBHH-DFHALEPISA-N 1 3 310.485 4.039 20 0 DIADHO CC(C)Oc1ccc([C@H](C)[NH2+]CCCN2CCCC2)cc1Cl ZINC000551790877 341351792 /nfs/dbraw/zinc/35/17/92/341351792.db2.gz JBAPGTPDZPSZFN-HNNXBMFYSA-N 1 3 324.896 4.264 20 0 DIADHO C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)[C@@H]1CCCN(C2CCC2)C1 ZINC000248409009 341377008 /nfs/dbraw/zinc/37/70/08/341377008.db2.gz WDEBHFPJDZCJIY-NBQZKYEYSA-N 1 3 316.464 4.056 20 0 DIADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249257188 341395537 /nfs/dbraw/zinc/39/55/37/341395537.db2.gz GRVGSBULLYFPTH-OAGGEKHMSA-N 1 3 320.443 4.065 20 0 DIADHO C[C@H](CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)N1CCCCC1 ZINC000555224955 341477549 /nfs/dbraw/zinc/47/75/49/341477549.db2.gz FJJWNPOLXWZYAE-JYBIWHBTSA-N 1 3 300.490 4.033 20 0 DIADHO Cc1cccc2c1[C@H](C)C[C@H]2NCc1cccc(C[NH+](C)C)c1 ZINC000152728362 341503159 /nfs/dbraw/zinc/50/31/59/341503159.db2.gz OSCMXQRPESVCBR-OXQOHEQNSA-N 1 3 308.469 4.395 20 0 DIADHO Cc1cccc2c1[C@@H](C)C[C@H]2NCc1cccc(C[NH+](C)C)c1 ZINC000152728462 341503178 /nfs/dbraw/zinc/50/31/78/341503178.db2.gz OSCMXQRPESVCBR-OXJNMPFZSA-N 1 3 308.469 4.395 20 0 DIADHO [NH3+]CCC[C@H](N[C@@H]1CCc2c1cccc2Cl)c1ccccc1 ZINC000565945521 341543316 /nfs/dbraw/zinc/54/33/16/341543316.db2.gz NROJEUXSNVXXGK-RBUKOAKNSA-N 1 3 314.860 4.397 20 0 DIADHO C[C@@H]([NH2+]C1CCC2(CC2)CC1)c1ccc(OCCN(C)C)cc1 ZINC000568021125 341646164 /nfs/dbraw/zinc/64/61/64/341646164.db2.gz ULWQFKYAYOREDG-MRXNPFEDSA-N 1 3 316.489 4.000 20 0 DIADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1cc2ccccc2o1 ZINC000294117741 341710537 /nfs/dbraw/zinc/71/05/37/341710537.db2.gz DIKCHVPGZRUSDO-OAHLLOKOSA-N 1 3 321.424 4.147 20 0 DIADHO Clc1scc(CNCCCCC[NH+]2CCCC2)c1Cl ZINC000578030936 341975317 /nfs/dbraw/zinc/97/53/17/341975317.db2.gz ZZIHAJOLWQQMTR-UHFFFAOYSA-N 1 3 321.317 4.411 20 0 DIADHO CC(C)[N@H+](C)Cc1cccc(CNCc2cccc3cc[nH]c32)c1 ZINC000236668234 519629101 /nfs/dbraw/zinc/62/91/01/519629101.db2.gz DLNLFGLLQWXPME-UHFFFAOYSA-N 1 3 321.468 4.298 20 0 DIADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cccc3cc[nH]c32)c1 ZINC000236668234 519629105 /nfs/dbraw/zinc/62/91/05/519629105.db2.gz DLNLFGLLQWXPME-UHFFFAOYSA-N 1 3 321.468 4.298 20 0 DIADHO CC(C)CN1CCC([NH2+][C@H](C)c2cnc3ccsc3c2)CC1 ZINC000131217742 519720727 /nfs/dbraw/zinc/72/07/27/519720727.db2.gz HOGSNPRJJSEFCC-CQSZACIVSA-N 1 3 317.502 4.067 20 0 DIADHO Cc1nc2c(s1)[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)CCC2 ZINC000157885842 527111651 /nfs/dbraw/zinc/11/16/51/527111651.db2.gz JYBFCQYSESVIDN-GOEBONIOSA-N 1 3 321.534 4.073 20 0 DIADHO Cc1nc2c(s1)[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)CCC2 ZINC000157885842 527111653 /nfs/dbraw/zinc/11/16/53/527111653.db2.gz JYBFCQYSESVIDN-GOEBONIOSA-N 1 3 321.534 4.073 20 0 DIADHO CCCCCC[C@H](CCC)N1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001246941567 1059191573 /nfs/dbraw/zinc/19/15/73/1059191573.db2.gz WHCRDBNOWYYXTP-KKUMJFAQSA-N 1 3 308.432 4.337 20 0 DIADHO COc1ccc([C@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)c2ccccc12 ZINC000643547049 1035595907 /nfs/dbraw/zinc/59/59/07/1035595907.db2.gz YXHYRXZLSVXRTC-HOTGVXAUSA-N 1 3 324.468 4.174 20 0 DIADHO CCN([C@@H]1CCOC1)C1CC[NH+](CC[C@@H](C)CC(C)(C)C)CC1 ZINC001208663899 1035787320 /nfs/dbraw/zinc/78/73/20/1035787320.db2.gz JQMPAFQSOQJMIC-IEBWSBKVSA-N 1 3 324.553 4.024 20 0 DIADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccsc1 ZINC000398123900 1036243612 /nfs/dbraw/zinc/24/36/12/1036243612.db2.gz HSWQHDDKVNMQRG-JTDSTZFVSA-N 1 3 314.498 4.309 20 0 DIADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccsc1 ZINC000398123900 1036243629 /nfs/dbraw/zinc/24/36/29/1036243629.db2.gz HSWQHDDKVNMQRG-JTDSTZFVSA-N 1 3 314.498 4.309 20 0 DIADHO CCCN(C)C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001167199316 1036264970 /nfs/dbraw/zinc/26/49/70/1036264970.db2.gz LXJVVBIBRTXNGW-NRFANRHFSA-N 1 3 310.485 4.244 20 0 DIADHO CCCN(C)C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001167199316 1036264981 /nfs/dbraw/zinc/26/49/81/1036264981.db2.gz LXJVVBIBRTXNGW-NRFANRHFSA-N 1 3 310.485 4.244 20 0 DIADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(F)c1F ZINC000538453658 1036378370 /nfs/dbraw/zinc/37/83/70/1036378370.db2.gz BBWCRXIFBNLOLJ-HUUCEWRRSA-N 1 3 310.432 4.128 20 0 DIADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(F)c1F ZINC000538453658 1036378385 /nfs/dbraw/zinc/37/83/85/1036378385.db2.gz BBWCRXIFBNLOLJ-HUUCEWRRSA-N 1 3 310.432 4.128 20 0 DIADHO c1ccc([C@H]2C[C@@H]2C[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000121223125 1036582593 /nfs/dbraw/zinc/58/25/93/1036582593.db2.gz WKWPSGBKBIPNIE-WIYYLYMNSA-N 1 3 312.501 4.177 20 0 DIADHO CCc1cccc(CNC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC001648826423 1036600582 /nfs/dbraw/zinc/60/05/82/1036600582.db2.gz GLRGZDKUOJUUCB-UHFFFAOYSA-N 1 3 322.496 4.312 20 0 DIADHO C[C@H](C[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1)CN1CCCC1 ZINC001648832596 1036611748 /nfs/dbraw/zinc/61/17/48/1036611748.db2.gz CMSWLLUORDERJV-GIVPXCGWSA-N 1 3 314.517 4.424 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000340472723 1036692394 /nfs/dbraw/zinc/69/23/94/1036692394.db2.gz AGVJGOAXPROCBI-HXUWFJFHSA-N 1 3 324.468 4.011 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000340472723 1036692404 /nfs/dbraw/zinc/69/24/04/1036692404.db2.gz AGVJGOAXPROCBI-HXUWFJFHSA-N 1 3 324.468 4.011 20 0 DIADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(-c2ccccc2)s1 ZINC000580006012 1036713023 /nfs/dbraw/zinc/71/30/23/1036713023.db2.gz HXQFVGXQEQUNBX-CRAIPNDOSA-N 1 3 314.498 4.187 20 0 DIADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(-c2ccccc2)s1 ZINC000580006012 1036713037 /nfs/dbraw/zinc/71/30/37/1036713037.db2.gz HXQFVGXQEQUNBX-CRAIPNDOSA-N 1 3 314.498 4.187 20 0 DIADHO CCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398023178 1037084727 /nfs/dbraw/zinc/08/47/27/1037084727.db2.gz KWHYCSMFSXAMGL-PGRDOPGGSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000398023178 1037084749 /nfs/dbraw/zinc/08/47/49/1037084749.db2.gz KWHYCSMFSXAMGL-PGRDOPGGSA-N 1 3 322.496 4.249 20 0 DIADHO CC[C@H](CC(F)F)CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001167424235 1037227959 /nfs/dbraw/zinc/22/79/59/1037227959.db2.gz FDUZZPJIDIYLKQ-ZACQAIPSSA-N 1 3 316.480 4.254 20 0 DIADHO CC[C@H](CC(F)F)CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001167424235 1037227963 /nfs/dbraw/zinc/22/79/63/1037227963.db2.gz FDUZZPJIDIYLKQ-ZACQAIPSSA-N 1 3 316.480 4.254 20 0 DIADHO Cc1cc(C)c([C@@H](C)[N@@H+]2CC[C@@H](CN3CCCCC3)C2)c(C)c1 ZINC001167429872 1037247956 /nfs/dbraw/zinc/24/79/56/1037247956.db2.gz NRANUTTZTWQVCV-UXHICEINSA-N 1 3 314.517 4.481 20 0 DIADHO Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@@H](CN3CCCCC3)C2)c(C)c1 ZINC001167429872 1037247969 /nfs/dbraw/zinc/24/79/69/1037247969.db2.gz NRANUTTZTWQVCV-UXHICEINSA-N 1 3 314.517 4.481 20 0 DIADHO Cc1cc(C)c([C@@H](C)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC001167429872 1037247975 /nfs/dbraw/zinc/24/79/75/1037247975.db2.gz NRANUTTZTWQVCV-UXHICEINSA-N 1 3 314.517 4.481 20 0 DIADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@H]3[C@@H]2CCN3C2CCCC2)CC1 ZINC001279490969 1037619683 /nfs/dbraw/zinc/61/96/83/1037619683.db2.gz VUAXIHWBSDIXLN-ZULIPRJHSA-N 1 3 302.506 4.070 20 0 DIADHO CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@H]3[C@@H]2CCN3C2CCCC2)CC1 ZINC001279490969 1037619690 /nfs/dbraw/zinc/61/96/90/1037619690.db2.gz VUAXIHWBSDIXLN-ZULIPRJHSA-N 1 3 302.506 4.070 20 0 DIADHO CCCC[C@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccc(OC)cc1 ZINC000341796733 1038269382 /nfs/dbraw/zinc/26/93/82/1038269382.db2.gz JEKXZKZYGLUGAL-HKUYNNGSSA-N 1 3 304.478 4.000 20 0 DIADHO CCCC[C@H](NCC[C@@H]1CCC[N@H+]1C)c1ccc(OC)cc1 ZINC000341796733 1038269390 /nfs/dbraw/zinc/26/93/90/1038269390.db2.gz JEKXZKZYGLUGAL-HKUYNNGSSA-N 1 3 304.478 4.000 20 0 DIADHO CC[NH+](CC)Cc1ccc(CNc2ccnc3ccccc32)cc1 ZINC000599446813 1038282515 /nfs/dbraw/zinc/28/25/15/1038282515.db2.gz FFCXFODMGXQDGG-UHFFFAOYSA-N 1 3 319.452 4.111 20 0 DIADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000535685720 1038315615 /nfs/dbraw/zinc/31/56/15/1038315615.db2.gz LOPXWTBMDPXZRF-RDTXWAMCSA-N 1 3 306.881 4.039 20 0 DIADHO CCC[N@H+]1CC[C@H](CN[C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000535685720 1038315630 /nfs/dbraw/zinc/31/56/30/1038315630.db2.gz LOPXWTBMDPXZRF-RDTXWAMCSA-N 1 3 306.881 4.039 20 0 DIADHO CCc1cccc2cc(C[NH2+]C3CCN(C4CCC4)CC3)oc21 ZINC000657334346 1038576108 /nfs/dbraw/zinc/57/61/08/1038576108.db2.gz WTRHUISBJAOWKP-UHFFFAOYSA-N 1 3 312.457 4.102 20 0 DIADHO CC[N@H+](C)Cc1cccc(CNCc2cc3ccc(C)cc3[nH]2)c1 ZINC000657348372 1038592558 /nfs/dbraw/zinc/59/25/58/1038592558.db2.gz TYGZQZZZILHYDQ-UHFFFAOYSA-N 1 3 321.468 4.218 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CNCc2cc3ccc(C)cc3[nH]2)c1 ZINC000657348372 1038592567 /nfs/dbraw/zinc/59/25/67/1038592567.db2.gz TYGZQZZZILHYDQ-UHFFFAOYSA-N 1 3 321.468 4.218 20 0 DIADHO C1=C(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCC1 ZINC001167553655 1038608476 /nfs/dbraw/zinc/60/84/76/1038608476.db2.gz GVXCJYRIWHYADP-NRFANRHFSA-N 1 3 310.485 4.085 20 0 DIADHO C1=C(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCC1 ZINC001167553655 1038608479 /nfs/dbraw/zinc/60/84/79/1038608479.db2.gz GVXCJYRIWHYADP-NRFANRHFSA-N 1 3 310.485 4.085 20 0 DIADHO [NH3+]C1CCC(NCc2c(Cl)ccc(Cl)c2Cl)CC1 ZINC000051694266 1038675163 /nfs/dbraw/zinc/67/51/63/1038675163.db2.gz FGZNYMUHEDEMIA-UHFFFAOYSA-N 1 3 307.652 4.006 20 0 DIADHO C[C@H]1C[C@H](NCc2ccc(N(C)c3ccccc3)cc2)CC[N@@H+]1C ZINC000608061589 1038761316 /nfs/dbraw/zinc/76/13/16/1038761316.db2.gz ZIYUBZVSTSXYTE-PKOBYXMFSA-N 1 3 323.484 4.027 20 0 DIADHO C[C@H]1C[C@H](NCc2ccc(N(C)c3ccccc3)cc2)CC[N@H+]1C ZINC000608061589 1038761325 /nfs/dbraw/zinc/76/13/25/1038761325.db2.gz ZIYUBZVSTSXYTE-PKOBYXMFSA-N 1 3 323.484 4.027 20 0 DIADHO Cc1ccccc1-c1cccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000608061142 1038761357 /nfs/dbraw/zinc/76/13/57/1038761357.db2.gz ABCQFCGHOYBLCI-XLIONFOSSA-N 1 3 308.469 4.234 20 0 DIADHO Cc1ccccc1-c1cccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000608061142 1038761365 /nfs/dbraw/zinc/76/13/65/1038761365.db2.gz ABCQFCGHOYBLCI-XLIONFOSSA-N 1 3 308.469 4.234 20 0 DIADHO CC(C)OC1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000090771857 1039016041 /nfs/dbraw/zinc/01/60/41/1039016041.db2.gz ATRBWGILPMYLMP-UHFFFAOYSA-N 1 3 322.537 4.109 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CC1CCC(F)(F)CC1 ZINC001207346753 1039082794 /nfs/dbraw/zinc/08/27/94/1039082794.db2.gz AAROEWSSZFVYRL-IRXDYDNUSA-N 1 3 314.464 4.151 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CC1CCC(F)(F)CC1 ZINC001207346753 1039082812 /nfs/dbraw/zinc/08/28/12/1039082812.db2.gz AAROEWSSZFVYRL-IRXDYDNUSA-N 1 3 314.464 4.151 20 0 DIADHO CC(C)[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1cc2ccccc2o1 ZINC000539547083 1039286356 /nfs/dbraw/zinc/28/63/56/1039286356.db2.gz NTHFUBGDHFFWMU-DNVCBOLYSA-N 1 3 300.446 4.061 20 0 DIADHO CC(C)[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cc2ccccc2o1 ZINC000539547083 1039286371 /nfs/dbraw/zinc/28/63/71/1039286371.db2.gz NTHFUBGDHFFWMU-DNVCBOLYSA-N 1 3 300.446 4.061 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@H]3CC[N@H+](C)[C@H](C)C3)c2)cc1 ZINC000540159832 1039430618 /nfs/dbraw/zinc/43/06/18/1039430618.db2.gz FYKJQKVELLTRGL-UTKZUKDTSA-N 1 3 308.469 4.234 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@H]3CC[N@@H+](C)[C@H](C)C3)c2)cc1 ZINC000540159832 1039430626 /nfs/dbraw/zinc/43/06/26/1039430626.db2.gz FYKJQKVELLTRGL-UTKZUKDTSA-N 1 3 308.469 4.234 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000650757291 1039466841 /nfs/dbraw/zinc/46/68/41/1039466841.db2.gz UCGCEXJSGPHMEW-LJQANCHMSA-N 1 3 318.411 4.171 20 0 DIADHO Cc1cc([C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C2CC2)ccc1F ZINC000540299879 1039469050 /nfs/dbraw/zinc/46/90/50/1039469050.db2.gz UIRGMTMCAUOJOE-OXJNMPFZSA-N 1 3 318.480 4.295 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@H](c2cc3ccccc3o2)C(C)C)C1 ZINC000540653105 1039535594 /nfs/dbraw/zinc/53/55/94/1039535594.db2.gz QWGOEGDTNKNSCC-UZLBHIALSA-N 1 3 314.473 4.451 20 0 DIADHO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000708501029 1039678691 /nfs/dbraw/zinc/67/86/91/1039678691.db2.gz ARXWGDFCCLBLNJ-NLWGTHIKSA-N 1 3 302.506 4.026 20 0 DIADHO Cc1ccc(C[C@@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)s1 ZINC000151870568 1039727619 /nfs/dbraw/zinc/72/76/19/1039727619.db2.gz WJRKAYYBESUGCQ-OAHLLOKOSA-N 1 3 320.546 4.374 20 0 DIADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc(Cl)c1 ZINC000171126419 1039941921 /nfs/dbraw/zinc/94/19/21/1039941921.db2.gz PNOBKOWHIJCLDP-AWEZNQCLSA-N 1 3 302.849 4.252 20 0 DIADHO Cc1sccc1C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309737212 1040090662 /nfs/dbraw/zinc/09/06/62/1040090662.db2.gz USNRVRDYMITYPE-KXBFYZLASA-N 1 3 314.498 4.057 20 0 DIADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccsc1 ZINC000309704558 1040090882 /nfs/dbraw/zinc/09/08/82/1040090882.db2.gz HJSNZNVLWBTRDJ-XYJFISCASA-N 1 3 314.498 4.309 20 0 DIADHO C[C@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000309751920 1040092857 /nfs/dbraw/zinc/09/28/57/1040092857.db2.gz ZRHOUEDQSMSNED-XYJFISCASA-N 1 3 314.498 4.309 20 0 DIADHO C[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000309751920 1040092873 /nfs/dbraw/zinc/09/28/73/1040092873.db2.gz ZRHOUEDQSMSNED-XYJFISCASA-N 1 3 314.498 4.309 20 0 DIADHO C[C@H]([NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C1(C)CC1 ZINC000309868446 1040096310 /nfs/dbraw/zinc/09/63/10/1040096310.db2.gz QEZNLJWKXUKLJW-PKOBYXMFSA-N 1 3 300.490 4.067 20 0 DIADHO C[C@H]([NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C1(C)CC1 ZINC000309868443 1040098509 /nfs/dbraw/zinc/09/85/09/1040098509.db2.gz QEZNLJWKXUKLJW-HKUYNNGSSA-N 1 3 300.490 4.067 20 0 DIADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)C1 ZINC000309885435 1040099228 /nfs/dbraw/zinc/09/92/28/1040099228.db2.gz YVJCVHWPTQXCSY-HOJAQTOUSA-N 1 3 300.490 4.067 20 0 DIADHO C[C@H](CC1CC1)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000309967468 1040102461 /nfs/dbraw/zinc/10/24/61/1040102461.db2.gz LTDOGYFNQAYQBY-XLIONFOSSA-N 1 3 300.490 4.067 20 0 DIADHO C[C@H](NCC1(C[NH+](C)C)CCCC1)c1cc2ccncc2s1 ZINC000657974064 1040237035 /nfs/dbraw/zinc/23/70/35/1040237035.db2.gz LNHWZFXQHOFDRR-AWEZNQCLSA-N 1 3 317.502 4.069 20 0 DIADHO Cc1ccc(CNC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309751380 1040249181 /nfs/dbraw/zinc/24/91/81/1040249181.db2.gz VXKAOSXLVZQNPM-IBGZPJMESA-N 1 3 314.498 4.058 20 0 DIADHO Cc1ccc(CNC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309751380 1040249191 /nfs/dbraw/zinc/24/91/91/1040249191.db2.gz VXKAOSXLVZQNPM-IBGZPJMESA-N 1 3 314.498 4.058 20 0 DIADHO CC(C)COc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2)cc1 ZINC000570212219 1040668807 /nfs/dbraw/zinc/66/88/07/1040668807.db2.gz YIPDDQIQANFARI-INIZCTEOSA-N 1 3 312.457 4.031 20 0 DIADHO C(=C/c1ccccc1)\CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889784 1041199130 /nfs/dbraw/zinc/19/91/30/1041199130.db2.gz LQIGNKFHDSUWKQ-DHZHZOJOSA-N 1 3 312.501 4.288 20 0 DIADHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc2occc2c1 ZINC000809738767 1041239503 /nfs/dbraw/zinc/23/95/03/1041239503.db2.gz ITGMSEQKFNGDCP-UHFFFAOYSA-N 1 3 308.425 4.126 20 0 DIADHO CSc1ccc(F)cc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000925528467 1041549741 /nfs/dbraw/zinc/54/97/41/1041549741.db2.gz UKNYKQGFXCUBIY-QGZVFWFLSA-N 1 3 318.461 4.117 20 0 DIADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C2(C(C)C)CC2)ccc1OC ZINC000815647799 1041984251 /nfs/dbraw/zinc/98/42/51/1041984251.db2.gz VQAVOTFPCHPVQQ-MRXNPFEDSA-N 1 3 318.505 4.376 20 0 DIADHO COc1ccc([C@H](C)[NH2+]CC[C@H](C)F)cc1CN1CCCCC1 ZINC000815645664 1041984868 /nfs/dbraw/zinc/98/48/68/1041984868.db2.gz MMYUAYDUOOPMIX-HOTGVXAUSA-N 1 3 322.468 4.080 20 0 DIADHO C[C@H]([NH2+]Cc1ccccc1CN(C)Cc1ccco1)c1ccco1 ZINC000164512410 1041993636 /nfs/dbraw/zinc/99/36/36/1041993636.db2.gz LANTXIBKZFOHIS-INIZCTEOSA-N 1 3 324.424 4.355 20 0 DIADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1cccc(C(F)(F)F)c1 ZINC000817946872 1042130142 /nfs/dbraw/zinc/13/01/42/1042130142.db2.gz GSSLWRFEVWFDRG-ZDUSSCGKSA-N 1 3 322.374 4.057 20 0 DIADHO CC(C)CC[C@H](NCc1ccc(CC[NH3+])cc1)c1ccoc1 ZINC000817948180 1042130495 /nfs/dbraw/zinc/13/04/95/1042130495.db2.gz FYZZJZBZDFIPBB-IBGZPJMESA-N 1 3 300.446 4.048 20 0 DIADHO CC(C)(C[NH2+]C1CCN(C2CCCCC2)CC1)CC(F)(F)F ZINC000663357035 1042132858 /nfs/dbraw/zinc/13/28/58/1042132858.db2.gz XSDXKTRDIOEOIS-UHFFFAOYSA-N 1 3 320.443 4.352 20 0 DIADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170896769 1042146292 /nfs/dbraw/zinc/14/62/92/1042146292.db2.gz IZXIBQBFBGYLRV-WBVHZDCISA-N 1 3 320.908 4.051 20 0 DIADHO C[C@H](N[C@@H]1CCc2c1cccc2F)c1cccc(C[NH+](C)C)c1 ZINC000820808956 1042229106 /nfs/dbraw/zinc/22/91/06/1042229106.db2.gz QLBYXNUWVKUYMM-VBKZILBWSA-N 1 3 312.432 4.225 20 0 DIADHO Cc1nc([C@@H](C)NCCCCCCC[NH+]2CCCC2)cs1 ZINC000772855431 1042265610 /nfs/dbraw/zinc/26/56/10/1042265610.db2.gz IPNPIXGJRSCORZ-OAHLLOKOSA-N 1 3 309.523 4.148 20 0 DIADHO CCc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310273014 1042324541 /nfs/dbraw/zinc/32/45/41/1042324541.db2.gz UAVFBVWKSMPLCJ-PGRDOPGGSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1ccccc1CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310273014 1042324544 /nfs/dbraw/zinc/32/45/44/1042324544.db2.gz UAVFBVWKSMPLCJ-PGRDOPGGSA-N 1 3 322.496 4.249 20 0 DIADHO CCc1ccccc1CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310273014 1042324552 /nfs/dbraw/zinc/32/45/52/1042324552.db2.gz UAVFBVWKSMPLCJ-PGRDOPGGSA-N 1 3 322.496 4.249 20 0 DIADHO C[C@@H]1CCCC[N@@H+]1CCCCN[C@H]1CCc2c1c(F)ccc2F ZINC000513524456 1042550075 /nfs/dbraw/zinc/55/00/75/1042550075.db2.gz GWQOYJWTLPDNLD-KDOFPFPSSA-N 1 3 322.443 4.196 20 0 DIADHO C[C@@H]1CCCC[N@H+]1CCCCN[C@H]1CCc2c1c(F)ccc2F ZINC000513524456 1042550080 /nfs/dbraw/zinc/55/00/80/1042550080.db2.gz GWQOYJWTLPDNLD-KDOFPFPSSA-N 1 3 322.443 4.196 20 0 DIADHO CC1CC[NH+](CCCCN[C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000513527701 1042550580 /nfs/dbraw/zinc/55/05/80/1042550580.db2.gz UUHQWRIXRFQDLQ-SFHVURJKSA-N 1 3 322.443 4.054 20 0 DIADHO C[C@@H]1CCC[N@H+](CCCCN[C@H]2CCc3c2c(F)ccc3F)C1 ZINC000513528160 1042550686 /nfs/dbraw/zinc/55/06/86/1042550686.db2.gz XIEIHELBHPHVNN-KDOFPFPSSA-N 1 3 322.443 4.054 20 0 DIADHO C[C@@H]1CCC[N@@H+](CCCCN[C@H]2CCc3c2c(F)ccc3F)C1 ZINC000513528160 1042550690 /nfs/dbraw/zinc/55/06/90/1042550690.db2.gz XIEIHELBHPHVNN-KDOFPFPSSA-N 1 3 322.443 4.054 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)CCC1CCCCC1 ZINC000422739582 1042689115 /nfs/dbraw/zinc/68/91/15/1042689115.db2.gz ADIDHBPGBJWUNG-HUUCEWRRSA-N 1 3 303.494 4.248 20 0 DIADHO [NH3+][C@@H]1C[C@H](NC[C@H]2CCCC[C@H]2C(F)(F)F)c2ccccc21 ZINC000422819974 1042690607 /nfs/dbraw/zinc/69/06/07/1042690607.db2.gz OQJHQFXRAXGMIY-MPESAESLSA-N 1 3 312.379 4.090 20 0 DIADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000422945500 1042693837 /nfs/dbraw/zinc/69/38/37/1042693837.db2.gz NHJSHZLSMBGLIF-MGPUTAFESA-N 1 3 323.484 4.312 20 0 DIADHO Cc1c2cc(Cl)ccc2sc1CN[C@H]1CCC[NH2+]CC1 ZINC000423104912 1042698131 /nfs/dbraw/zinc/69/81/31/1042698131.db2.gz QPNTXOOWFMIVLB-ZDUSSCGKSA-N 1 3 308.878 4.095 20 0 DIADHO CCC[C@@H]1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423149430 1042698693 /nfs/dbraw/zinc/69/86/93/1042698693.db2.gz APLNMVVJLUOUBD-UAGQMJEPSA-N 1 3 303.494 4.106 20 0 DIADHO C[C@H](NC[C@H]1CCC[NH2+]C1)c1ccc(-c2ccc(F)cc2)s1 ZINC000423210119 1042699425 /nfs/dbraw/zinc/69/94/25/1042699425.db2.gz JSTNWPRTPMYQQP-KBPBESRZSA-N 1 3 318.461 4.204 20 0 DIADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2nccc3ccccc32)cc1 ZINC000423291332 1042704036 /nfs/dbraw/zinc/70/40/36/1042704036.db2.gz HWQNDRQDAYHZAO-GJZGRUSLSA-N 1 3 305.425 4.105 20 0 DIADHO C[C@H]([NH3+])c1ccc(CN[C@H]2C[C@H](C)Sc3sccc32)cc1 ZINC000423290662 1042704155 /nfs/dbraw/zinc/70/41/55/1042704155.db2.gz DYZDPAXYBKOXFN-MKBNYLNASA-N 1 3 318.511 4.483 20 0 DIADHO Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423290292 1042704166 /nfs/dbraw/zinc/70/41/66/1042704166.db2.gz CSPVWYVYPOSTGS-QWHCGFSZSA-N 1 3 317.502 4.445 20 0 DIADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000423290994 1042705083 /nfs/dbraw/zinc/70/50/83/1042705083.db2.gz GFUBCQFTSXCCJW-CHWSQXEVSA-N 1 3 320.383 4.159 20 0 DIADHO N[C@H](C[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1)C1CC1 ZINC000423319729 1042706013 /nfs/dbraw/zinc/70/60/13/1042706013.db2.gz LXJSLOYTJFWEAF-CVEARBPZSA-N 1 3 320.889 4.012 20 0 DIADHO CC[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cc(C)ccc1OC ZINC000423293972 1042706210 /nfs/dbraw/zinc/70/62/10/1042706210.db2.gz SRZIXMZKMBBJKO-HNAYVOBHSA-N 1 3 312.457 4.264 20 0 DIADHO C[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccc(F)c2ccccc21 ZINC000423332778 1042706604 /nfs/dbraw/zinc/70/66/04/1042706604.db2.gz HFOYARVWRBENLJ-LIRRHRJNSA-N 1 3 300.421 4.019 20 0 DIADHO CC(C)COc1ccc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423360821 1042708857 /nfs/dbraw/zinc/70/88/57/1042708857.db2.gz RAURLWSGSVKKDI-INIZCTEOSA-N 1 3 324.468 4.175 20 0 DIADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(Cl)sc1Cl ZINC000423426511 1042711116 /nfs/dbraw/zinc/71/11/16/1042711116.db2.gz FFQVRNIRUWYTRV-KPXOXKRLSA-N 1 3 319.301 4.094 20 0 DIADHO Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423402097 1042711693 /nfs/dbraw/zinc/71/16/93/1042711693.db2.gz WFFSKCUQCPYQHR-MAZHCROVSA-N 1 3 315.486 4.039 20 0 DIADHO Cc1cc2c(cc1C)[C@@H](NCc1ccc3c(c1)C[NH2+]C3)CCS2 ZINC000423402202 1042711719 /nfs/dbraw/zinc/71/17/19/1042711719.db2.gz WOQNOVYOVMHTDL-IBGZPJMESA-N 1 3 324.493 4.233 20 0 DIADHO C[C@@H]([NH2+][C@@H](Cc1ccccc1Cl)c1cccs1)[C@H](C)N ZINC000423465040 1042714022 /nfs/dbraw/zinc/71/40/22/1042714022.db2.gz MJJRTCMVGKFEKT-ZOWXZIJZSA-N 1 3 308.878 4.011 20 0 DIADHO C[C@H](N)[C@H](C)[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000423465032 1042714058 /nfs/dbraw/zinc/71/40/58/1042714058.db2.gz MJJRTCMVGKFEKT-HUBLWGQQSA-N 1 3 308.878 4.011 20 0 DIADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000423441586 1042714280 /nfs/dbraw/zinc/71/42/80/1042714280.db2.gz PLSHWBDCKTYVMS-FUEDEBDSSA-N 1 3 313.272 4.032 20 0 DIADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000423441587 1042714328 /nfs/dbraw/zinc/71/43/28/1042714328.db2.gz PLSHWBDCKTYVMS-JMPLFQLZSA-N 1 3 313.272 4.032 20 0 DIADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1Cl ZINC000423511977 1042717763 /nfs/dbraw/zinc/71/77/63/1042717763.db2.gz UFNXJFAGGRFNTP-RDTXWAMCSA-N 1 3 302.849 4.471 20 0 DIADHO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1N ZINC000424377096 1042739007 /nfs/dbraw/zinc/73/90/07/1042739007.db2.gz QKVRUERLIXLPBA-APHBMKBZSA-N 1 3 315.486 4.039 20 0 DIADHO Fc1cccc2c1CC[C@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000513868966 1042761341 /nfs/dbraw/zinc/76/13/41/1042761341.db2.gz DKINXCNRRIYZEG-OAQYLSRUSA-N 1 3 324.443 4.199 20 0 DIADHO C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000514248545 1042777192 /nfs/dbraw/zinc/77/71/92/1042777192.db2.gz RTDCCQMNEBFQFE-HRCADAONSA-N 1 3 314.464 4.055 20 0 DIADHO CC(C)[N@H+](C)CC1CCN(C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000517202348 1042871341 /nfs/dbraw/zinc/87/13/41/1042871341.db2.gz FCLDEGIRDUYICR-PLNGDYQASA-N 1 3 322.443 4.030 20 0 DIADHO CC(C)[N@@H+](C)CC1CCN(C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000517202348 1042871346 /nfs/dbraw/zinc/87/13/46/1042871346.db2.gz FCLDEGIRDUYICR-PLNGDYQASA-N 1 3 322.443 4.030 20 0 DIADHO Cc1nc(-c2cc([C@H](C)[NH2+]C[C@H](C)CN(C)C)cs2)cs1 ZINC000425947644 1042883058 /nfs/dbraw/zinc/88/30/58/1042883058.db2.gz VVMNKOMABQIBDM-RYUDHWBXSA-N 1 3 323.531 4.028 20 0 DIADHO C[C@@H](C[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21)CN(C)C ZINC000425955462 1042886623 /nfs/dbraw/zinc/88/66/23/1042886623.db2.gz ZSLQKUBKDYFKRP-HOTGVXAUSA-N 1 3 315.505 4.011 20 0 DIADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(C)cc1 ZINC001167966261 1042943779 /nfs/dbraw/zinc/94/37/79/1042943779.db2.gz SCLCKASXAANGMO-OTYNDTSQSA-N 1 3 312.501 4.441 20 0 DIADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(C)cc1 ZINC001167966261 1042943781 /nfs/dbraw/zinc/94/37/81/1042943781.db2.gz SCLCKASXAANGMO-OTYNDTSQSA-N 1 3 312.501 4.441 20 0 DIADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(C)cc1 ZINC001167966265 1042943960 /nfs/dbraw/zinc/94/39/60/1042943960.db2.gz SCLCKASXAANGMO-VTHDOGFWSA-N 1 3 312.501 4.441 20 0 DIADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(C)cc1 ZINC001167966265 1042943968 /nfs/dbraw/zinc/94/39/68/1042943968.db2.gz SCLCKASXAANGMO-VTHDOGFWSA-N 1 3 312.501 4.441 20 0 DIADHO CC(C)[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccc1 ZINC001167966683 1042949883 /nfs/dbraw/zinc/94/98/83/1042949883.db2.gz ZAOCOYZBEBNCFV-OTYNDTSQSA-N 1 3 312.501 4.379 20 0 DIADHO CC(C)[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167966683 1042949888 /nfs/dbraw/zinc/94/98/88/1042949888.db2.gz ZAOCOYZBEBNCFV-OTYNDTSQSA-N 1 3 312.501 4.379 20 0 DIADHO CC(C)C1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167973485 1042966533 /nfs/dbraw/zinc/96/65/33/1042966533.db2.gz LSGLPTSVLNIBOM-DXTJYYCRSA-N 1 3 304.522 4.196 20 0 DIADHO CC(C)[N@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167982038 1042974902 /nfs/dbraw/zinc/97/49/02/1042974902.db2.gz UFBABOPNCQNKDC-WCRBZPEASA-N 1 3 312.501 4.302 20 0 DIADHO CC(C)[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167982038 1042974908 /nfs/dbraw/zinc/97/49/08/1042974908.db2.gz UFBABOPNCQNKDC-WCRBZPEASA-N 1 3 312.501 4.302 20 0 DIADHO CC(C)N(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167982038 1042974911 /nfs/dbraw/zinc/97/49/11/1042974911.db2.gz UFBABOPNCQNKDC-WCRBZPEASA-N 1 3 312.501 4.302 20 0 DIADHO CC(C)N(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982038 1042974918 /nfs/dbraw/zinc/97/49/18/1042974918.db2.gz UFBABOPNCQNKDC-WCRBZPEASA-N 1 3 312.501 4.302 20 0 DIADHO c1ccc2c(c1)CCCC[C@@H]2NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981807 1042975219 /nfs/dbraw/zinc/97/52/19/1042975219.db2.gz LAQCCBLMBKKXKR-GFSYIJCISA-N 1 3 324.512 4.449 20 0 DIADHO c1ccc2c(c1)CCCC[C@@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981807 1042975221 /nfs/dbraw/zinc/97/52/21/1042975221.db2.gz LAQCCBLMBKKXKR-GFSYIJCISA-N 1 3 324.512 4.449 20 0 DIADHO CC[C@H](c1ccc(F)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441411721 1043044980 /nfs/dbraw/zinc/04/49/80/1043044980.db2.gz HDWVUWASFNCXOC-AHRSYUTCSA-N 1 3 316.464 4.226 20 0 DIADHO CC[C@H](c1ccc(F)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441411721 1043044990 /nfs/dbraw/zinc/04/49/90/1043044990.db2.gz HDWVUWASFNCXOC-AHRSYUTCSA-N 1 3 316.464 4.226 20 0 DIADHO c1csc([C@@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167995870 1043079155 /nfs/dbraw/zinc/07/91/55/1043079155.db2.gz TYTQURQIOMYPGU-WFFDWFOESA-N 1 3 316.514 4.290 20 0 DIADHO c1csc([C@@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167995870 1043079166 /nfs/dbraw/zinc/07/91/66/1043079166.db2.gz TYTQURQIOMYPGU-WFFDWFOESA-N 1 3 316.514 4.290 20 0 DIADHO c1csc([C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)N3CC2CC2)c1 ZINC001167995870 1043079180 /nfs/dbraw/zinc/07/91/80/1043079180.db2.gz TYTQURQIOMYPGU-WFFDWFOESA-N 1 3 316.514 4.290 20 0 DIADHO c1csc([C@@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)N3CC2CC2)c1 ZINC001167995870 1043079193 /nfs/dbraw/zinc/07/91/93/1043079193.db2.gz TYTQURQIOMYPGU-WFFDWFOESA-N 1 3 316.514 4.290 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1cncc(C)c1 ZINC000184263357 1043180164 /nfs/dbraw/zinc/18/01/64/1043180164.db2.gz HSDHMIUTPOXWAT-QGZVFWFLSA-N 1 3 311.473 4.083 20 0 DIADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2cncc(C)c2)c1 ZINC000184285494 1043180464 /nfs/dbraw/zinc/18/04/64/1043180464.db2.gz PQUWNJIQVYNGDV-KRWDZBQOSA-N 1 3 311.473 4.083 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1cncc(C)c1 ZINC000184263339 1043180547 /nfs/dbraw/zinc/18/05/47/1043180547.db2.gz HSDHMIUTPOXWAT-KRWDZBQOSA-N 1 3 311.473 4.083 20 0 DIADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000665233955 1043291949 /nfs/dbraw/zinc/29/19/49/1043291949.db2.gz URHZJZNMBVZVST-CRAIPNDOSA-N 1 3 301.478 4.002 20 0 DIADHO c1c2ccccc2sc1CNC1CC[NH+](C2CCC2)CC1 ZINC000268229605 1043315759 /nfs/dbraw/zinc/31/57/59/1043315759.db2.gz UCJIHEKWRSUXJH-UHFFFAOYSA-N 1 3 300.471 4.008 20 0 DIADHO CC[C@H](CCC(F)(F)F)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000872060442 1043444214 /nfs/dbraw/zinc/44/42/14/1043444214.db2.gz QBAUAASKJUTJEU-QLFBSQMISA-N 1 3 320.443 4.350 20 0 DIADHO CC[C@H](CCC(F)(F)F)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000872060444 1043444465 /nfs/dbraw/zinc/44/44/65/1043444465.db2.gz QBAUAASKJUTJEU-RRFJBIMHSA-N 1 3 320.443 4.350 20 0 DIADHO C[C@H](N[C@H]1C[C@@H](C)c2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000558161099 1043447851 /nfs/dbraw/zinc/44/78/51/1043447851.db2.gz WRLFCCCTKJCKKF-JJDSTIRJSA-N 1 3 312.501 4.478 20 0 DIADHO C[C@H](N[C@H]1C[C@@H](C)c2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000558161099 1043447858 /nfs/dbraw/zinc/44/78/58/1043447858.db2.gz WRLFCCCTKJCKKF-JJDSTIRJSA-N 1 3 312.501 4.478 20 0 DIADHO Cc1ccccc1[C@@H](NC[C@@H]1C[NH2+]CCC1(F)F)C1CCCC1 ZINC000925775914 1043468844 /nfs/dbraw/zinc/46/88/44/1043468844.db2.gz HZOLJWFZBHXLLK-WMZOPIPTSA-N 1 3 322.443 4.061 20 0 DIADHO Cc1ccccc1[C@H](NC[C@@H]1C[NH2+]CCC1(F)F)C1CCCC1 ZINC000925775911 1043469105 /nfs/dbraw/zinc/46/91/05/1043469105.db2.gz HZOLJWFZBHXLLK-FUHWJXTLSA-N 1 3 322.443 4.061 20 0 DIADHO Cc1ccc([C@H](NC[C@@H]2C[NH2+]CCC2(F)F)C2CCCC2)cc1 ZINC000925775236 1043469599 /nfs/dbraw/zinc/46/95/99/1043469599.db2.gz DTJDAOIPHHFQKV-ZWKOTPCHSA-N 1 3 322.443 4.061 20 0 DIADHO COc1ccc(C2(N[C@@H](C)c3cccc(C[NH+](C)C)c3)CC2)cc1 ZINC000925823140 1043477866 /nfs/dbraw/zinc/47/78/66/1043477866.db2.gz WMODLDJJKJBRDN-INIZCTEOSA-N 1 3 324.468 4.097 20 0 DIADHO CCC(CC)[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001257291547 1043487253 /nfs/dbraw/zinc/48/72/53/1043487253.db2.gz HNXYTDBQYLDPRW-UHFFFAOYSA-N 1 3 308.897 4.330 20 0 DIADHO CCC[C@H](NCC1CC[NH+](C2CC2)CC1)c1ncccc1Cl ZINC000926307229 1043561983 /nfs/dbraw/zinc/56/19/83/1043561983.db2.gz JHTOLCIQBVSFSZ-KRWDZBQOSA-N 1 3 321.896 4.040 20 0 DIADHO CCN1CCC[C@@H](C[NH2+]Cc2ccccc2-c2ccccc2C)C1 ZINC001648960305 1043620205 /nfs/dbraw/zinc/62/02/05/1043620205.db2.gz NQDKOJPLSXUWOH-IBGZPJMESA-N 1 3 322.496 4.484 20 0 DIADHO CC[N@@H+]1CCC[C@@H](CNCc2ccccc2-c2ccccc2C)C1 ZINC001648960305 1043620218 /nfs/dbraw/zinc/62/02/18/1043620218.db2.gz NQDKOJPLSXUWOH-IBGZPJMESA-N 1 3 322.496 4.484 20 0 DIADHO CC[N@H+]1CCC[C@@H](CNCc2ccccc2-c2ccccc2C)C1 ZINC001648960305 1043620226 /nfs/dbraw/zinc/62/02/26/1043620226.db2.gz NQDKOJPLSXUWOH-IBGZPJMESA-N 1 3 322.496 4.484 20 0 DIADHO Cc1scc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)c1C ZINC000926782281 1043632132 /nfs/dbraw/zinc/63/21/32/1043632132.db2.gz XDCJZLXWBHPQRY-AWEZNQCLSA-N 1 3 302.487 4.277 20 0 DIADHO Cc1scc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)c1C ZINC000926782282 1043632207 /nfs/dbraw/zinc/63/22/07/1043632207.db2.gz XDCJZLXWBHPQRY-CQSZACIVSA-N 1 3 302.487 4.277 20 0 DIADHO C[C@@H](N[C@H](C)c1cccc(C[NH+](C)C)c1)c1cc2cnccc2o1 ZINC000926813134 1043638115 /nfs/dbraw/zinc/63/81/15/1043638115.db2.gz RGQSFCQRSBXIFB-HUUCEWRRSA-N 1 3 323.440 4.301 20 0 DIADHO C[C@@H](NC1CCC(C)([NH+]2CCC2)CC1)c1cccc(F)c1F ZINC000927039469 1043671609 /nfs/dbraw/zinc/67/16/09/1043671609.db2.gz SWBCQZSUOJXZJA-WRSVWVKZSA-N 1 3 308.416 4.022 20 0 DIADHO C[C@H]1C[C@@H](CF)N(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168039245 1043853972 /nfs/dbraw/zinc/85/39/72/1043853972.db2.gz CMUPLSWZGFPHCP-BOSXTWCSSA-N 1 3 318.480 4.108 20 0 DIADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000474626390 1043859114 /nfs/dbraw/zinc/85/91/14/1043859114.db2.gz FBUGONHNCLPROP-BZUAXINKSA-N 1 3 308.897 4.154 20 0 DIADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(Cl)c(Cl)c1 ZINC000034958906 1043893974 /nfs/dbraw/zinc/89/39/74/1043893974.db2.gz YYCBATNHNWCKMI-NDNKKMJESA-N 1 3 313.272 4.269 20 0 DIADHO CC(C)[C@H](C[NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccccc1 ZINC000474713748 1043896056 /nfs/dbraw/zinc/89/60/56/1043896056.db2.gz PXZDOTRDVVRBOI-QUCCMNQESA-N 1 3 302.506 4.136 20 0 DIADHO Cc1ccc(-c2ccc(C[NH2+]CCCN3CCCC3)s2)cc1 ZINC000520209783 1043942394 /nfs/dbraw/zinc/94/23/94/1043942394.db2.gz BUYPVXBXDWIHKB-UHFFFAOYSA-N 1 3 314.498 4.299 20 0 DIADHO C[C@H](N[C@@H]1CCCc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358475833 1044073952 /nfs/dbraw/zinc/07/39/52/1044073952.db2.gz WLIQCZZECXTJNC-DJPFJPOOSA-N 1 3 312.501 4.307 20 0 DIADHO C[C@H](N[C@@H]1CCCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358475833 1044073960 /nfs/dbraw/zinc/07/39/60/1044073960.db2.gz WLIQCZZECXTJNC-DJPFJPOOSA-N 1 3 312.501 4.307 20 0 DIADHO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)[C@H]1CCCN(C2CCC2)C1 ZINC000358475833 1044073972 /nfs/dbraw/zinc/07/39/72/1044073972.db2.gz WLIQCZZECXTJNC-DJPFJPOOSA-N 1 3 312.501 4.307 20 0 DIADHO CC[C@H]([NH2+]CC[C@H](C)N1CCCCC1)c1cccc(OC)c1 ZINC000346872283 1044167441 /nfs/dbraw/zinc/16/74/41/1044167441.db2.gz XJTNNDDWDXSYDG-LPHOPBHVSA-N 1 3 304.478 4.000 20 0 DIADHO CC1(C)CC[C@@H](NC2CC[NH+](C3CCC3)CC2)c2ccccc21 ZINC000360829086 1044315459 /nfs/dbraw/zinc/31/54/59/1044315459.db2.gz AYDZECWTCFZTPX-HXUWFJFHSA-N 1 3 312.501 4.406 20 0 DIADHO C[C@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cccnc1 ZINC000112527750 1044443044 /nfs/dbraw/zinc/44/30/44/1044443044.db2.gz KLDMJIPIOAMFSH-MSOLQXFVSA-N 1 3 323.484 4.164 20 0 DIADHO C[C@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cccnc1 ZINC000112527750 1044443049 /nfs/dbraw/zinc/44/30/49/1044443049.db2.gz KLDMJIPIOAMFSH-MSOLQXFVSA-N 1 3 323.484 4.164 20 0 DIADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000568329662 1044616803 /nfs/dbraw/zinc/61/68/03/1044616803.db2.gz AVZFMJWJDWWNQH-UZLBHIALSA-N 1 3 316.464 4.082 20 0 DIADHO c1ccc2c(c1)cccc2CCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000523552948 1044657787 /nfs/dbraw/zinc/65/77/87/1044657787.db2.gz DQKPLOVDRKJMPK-IBGZPJMESA-N 1 3 322.496 4.190 20 0 DIADHO C[C@@H](c1ccc(Oc2ccccc2)cc1)[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000445315729 1044702570 /nfs/dbraw/zinc/70/25/70/1044702570.db2.gz IVJAKSDGQLWYPE-ZWKOTPCHSA-N 1 3 324.468 4.423 20 0 DIADHO C[C@@H](c1ccc(Oc2ccccc2)cc1)[N@H+]1CC[C@H](CN(C)C)C1 ZINC000445315729 1044702577 /nfs/dbraw/zinc/70/25/77/1044702577.db2.gz IVJAKSDGQLWYPE-ZWKOTPCHSA-N 1 3 324.468 4.423 20 0 DIADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(Cl)s1 ZINC000123618158 1044785907 /nfs/dbraw/zinc/78/59/07/1044785907.db2.gz SPEUSNRSRFVHDL-LBPRGKRZSA-N 1 3 308.878 4.314 20 0 DIADHO CCCCOc1ccc([C@H](C)NC2CC[NH+](CC)CC2)cc1 ZINC000575337125 1044995062 /nfs/dbraw/zinc/99/50/62/1044995062.db2.gz BULSITBGTYTLND-INIZCTEOSA-N 1 3 304.478 4.000 20 0 DIADHO C[C@H](c1ccncc1)N(C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411413295 1045006423 /nfs/dbraw/zinc/00/64/23/1045006423.db2.gz CYJMEGSAINEWAQ-GOSISDBHSA-N 1 3 323.484 4.261 20 0 DIADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000151143095 1045015358 /nfs/dbraw/zinc/01/53/58/1045015358.db2.gz GCEOAVXMKOPBOR-ROUUACIJSA-N 1 3 323.484 4.131 20 0 DIADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000151143095 1045015376 /nfs/dbraw/zinc/01/53/76/1045015376.db2.gz GCEOAVXMKOPBOR-ROUUACIJSA-N 1 3 323.484 4.131 20 0 DIADHO C[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccnc1Cl ZINC000158572471 1045041479 /nfs/dbraw/zinc/04/14/79/1045041479.db2.gz HUJPGXWVINHVOE-OAGGEKHMSA-N 1 3 323.912 4.144 20 0 DIADHO Cc1nc(-c2ccc([C@H](C)N[C@@H]3CCC[C@H]([NH3+])C3)cc2)cs1 ZINC000576530658 1045064470 /nfs/dbraw/zinc/06/44/70/1045064470.db2.gz YHTIUGMCAYMOGX-AFAVFJNCSA-N 1 3 315.486 4.039 20 0 DIADHO Cc1ccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)cc1F ZINC000924591409 1045182049 /nfs/dbraw/zinc/18/20/49/1045182049.db2.gz WHNKSROABGXDPW-HNNXBMFYSA-N 1 3 300.421 4.047 20 0 DIADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1coc2ccccc21 ZINC000924609687 1045183539 /nfs/dbraw/zinc/18/35/39/1045183539.db2.gz VIXHJUYSZYZJBK-OAHLLOKOSA-N 1 3 308.425 4.345 20 0 DIADHO CC(C)N(C)CCC[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000577918032 1045188009 /nfs/dbraw/zinc/18/80/09/1045188009.db2.gz ANOYDITZMCABTO-CQSZACIVSA-N 1 3 316.411 4.129 20 0 DIADHO Cc1cc(CNCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)ccn1 ZINC000527639080 1045242291 /nfs/dbraw/zinc/24/22/91/1045242291.db2.gz AZMOXPSZJAETJG-GOSISDBHSA-N 1 3 323.484 4.054 20 0 DIADHO Cc1cc(CNCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)ccn1 ZINC000527639080 1045242304 /nfs/dbraw/zinc/24/23/04/1045242304.db2.gz AZMOXPSZJAETJG-GOSISDBHSA-N 1 3 323.484 4.054 20 0 DIADHO CSC[C@H](C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449163783 1045357113 /nfs/dbraw/zinc/35/71/13/1045357113.db2.gz WZHQOXOHRMRUDC-AWEZNQCLSA-N 1 3 300.556 4.007 20 0 DIADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3CCCC3(F)F)CC2)C1 ZINC000449500517 1045403612 /nfs/dbraw/zinc/40/36/12/1045403612.db2.gz UZGNEVCCXJVQPS-INMHGKMJSA-N 1 3 314.464 4.055 20 0 DIADHO CO[C@H]([C@H](C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000449631193 1045422279 /nfs/dbraw/zinc/42/22/79/1045422279.db2.gz OKCUFRVIMHNVTC-MAUKXSAKSA-N 1 3 324.553 4.069 20 0 DIADHO C[C@H]([NH2+]CCc1ccc(Cl)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000450724602 1045555992 /nfs/dbraw/zinc/55/59/92/1045555992.db2.gz GRIFLYDUGZMGKV-RDJZCZTQSA-N 1 3 320.908 4.125 20 0 DIADHO C[C@H](NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000381772227 1045583829 /nfs/dbraw/zinc/58/38/29/1045583829.db2.gz SWOIDUKWPLSEIO-RXVVDRJESA-N 1 3 308.469 4.249 20 0 DIADHO C[C@H](NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000381772227 1045583836 /nfs/dbraw/zinc/58/38/36/1045583836.db2.gz SWOIDUKWPLSEIO-RXVVDRJESA-N 1 3 308.469 4.249 20 0 DIADHO C[C@@H](NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000381772228 1045584241 /nfs/dbraw/zinc/58/42/41/1045584241.db2.gz SWOIDUKWPLSEIO-WIYYLYMNSA-N 1 3 308.469 4.249 20 0 DIADHO C[C@@H](NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000381772228 1045584248 /nfs/dbraw/zinc/58/42/48/1045584248.db2.gz SWOIDUKWPLSEIO-WIYYLYMNSA-N 1 3 308.469 4.249 20 0 DIADHO Cc1cccc([C@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C(C)C)c1 ZINC000530227247 1045621779 /nfs/dbraw/zinc/62/17/79/1045621779.db2.gz WNXFNLDUYPPJMN-OXQOHEQNSA-N 1 3 311.473 4.205 20 0 DIADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc3ccccc3c2)C[C@H]1C ZINC000530901852 1045746847 /nfs/dbraw/zinc/74/68/47/1045746847.db2.gz CXTOISUVDJAPJN-UTKZUKDTSA-N 1 3 310.485 4.187 20 0 DIADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc3ccccc3c2)C[C@H]1C ZINC000530901852 1045746859 /nfs/dbraw/zinc/74/68/59/1045746859.db2.gz CXTOISUVDJAPJN-UTKZUKDTSA-N 1 3 310.485 4.187 20 0 DIADHO C[C@H](CCc1ccco1)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000531692238 1045894558 /nfs/dbraw/zinc/89/45/58/1045894558.db2.gz JLBQXFNXKJCJCX-ZHALLVOQSA-N 1 3 318.505 4.233 20 0 DIADHO C[C@H](CCc1ccco1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000531692500 1045894929 /nfs/dbraw/zinc/89/49/29/1045894929.db2.gz FCTHHKFDYIACLU-SQGPQFPESA-N 1 3 318.505 4.233 20 0 DIADHO C[C@H](CCc1ccco1)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000531692497 1045895332 /nfs/dbraw/zinc/89/53/32/1045895332.db2.gz FCTHHKFDYIACLU-HLIPFELVSA-N 1 3 318.505 4.233 20 0 DIADHO CC[N@H+](CCCN(C)C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001138053142 1046077450 /nfs/dbraw/zinc/07/74/50/1046077450.db2.gz HYKIJFJZRZFMJM-UHFFFAOYSA-N 1 3 322.802 4.132 20 0 DIADHO CC[N@@H+](CCCN(C)C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001138053142 1046077458 /nfs/dbraw/zinc/07/74/58/1046077458.db2.gz HYKIJFJZRZFMJM-UHFFFAOYSA-N 1 3 322.802 4.132 20 0 DIADHO CC[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(Cl)s1 ZINC000635011185 1046174236 /nfs/dbraw/zinc/17/42/36/1046174236.db2.gz PGQDORFPNNXCJV-OAHLLOKOSA-N 1 3 320.889 4.288 20 0 DIADHO CSC(C)(C)C[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001258333559 1046242202 /nfs/dbraw/zinc/24/22/02/1046242202.db2.gz NCDSPPAVBSTQII-OAHLLOKOSA-N 1 3 312.567 4.293 20 0 DIADHO C[NH+](C)CC[C@H](N[C@@H]1CCC[C@@H]1c1ccccc1)c1cccnc1 ZINC000903379686 1046260904 /nfs/dbraw/zinc/26/09/04/1046260904.db2.gz HYHYCQJDMIKWSG-QHAWAJNXSA-N 1 3 323.484 4.000 20 0 DIADHO CN(Cc1ccc(-c2ccc(F)cc2)cc1)C1CC[NH+](C)CC1 ZINC001138682627 1046264864 /nfs/dbraw/zinc/26/48/64/1046264864.db2.gz WMILIOKPLNVGKN-UHFFFAOYSA-N 1 3 312.432 4.019 20 0 DIADHO c1csc(CN[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638280804 1046308283 /nfs/dbraw/zinc/30/82/83/1046308283.db2.gz KIZAJAOBJHHQQV-APWZRJJASA-N 1 3 312.482 4.206 20 0 DIADHO c1csc(CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638280804 1046308300 /nfs/dbraw/zinc/30/83/00/1046308300.db2.gz KIZAJAOBJHHQQV-APWZRJJASA-N 1 3 312.482 4.206 20 0 DIADHO CC[N@H+](C[C@H](N)CC(F)F)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908794 1046339498 /nfs/dbraw/zinc/33/94/98/1046339498.db2.gz PTKSDIQELAOOLA-GXFFZTMASA-N 1 3 324.337 4.071 20 0 DIADHO CC[N@@H+](C[C@H](N)CC(F)F)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908794 1046339504 /nfs/dbraw/zinc/33/95/04/1046339504.db2.gz PTKSDIQELAOOLA-GXFFZTMASA-N 1 3 324.337 4.071 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCCc3sccc32)c1 ZINC000123963878 1046451227 /nfs/dbraw/zinc/45/12/27/1046451227.db2.gz BNYAXZRLOKHNGJ-GOSISDBHSA-N 1 3 314.498 4.367 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCCc3sccc32)c1 ZINC000123963878 1046451233 /nfs/dbraw/zinc/45/12/33/1046451233.db2.gz BNYAXZRLOKHNGJ-GOSISDBHSA-N 1 3 314.498 4.367 20 0 DIADHO CN1CC2(C1)CC[NH+](Cc1ccc3oc4ccccc4c3c1)CC2 ZINC001139754347 1046514231 /nfs/dbraw/zinc/51/42/31/1046514231.db2.gz LJCINTJYCURJMY-UHFFFAOYSA-N 1 3 320.436 4.114 20 0 DIADHO C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000643548962 1046672953 /nfs/dbraw/zinc/67/29/53/1046672953.db2.gz YEEOOWUYMJCQES-XDQVBPFNSA-N 1 3 324.921 4.158 20 0 DIADHO C[C@@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccncc1 ZINC000247493160 1046828775 /nfs/dbraw/zinc/82/87/75/1046828775.db2.gz WGRUHUUVUNZPQY-QZTJIDSGSA-N 1 3 323.484 4.164 20 0 DIADHO C[C@@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccncc1 ZINC000247493160 1046828789 /nfs/dbraw/zinc/82/87/89/1046828789.db2.gz WGRUHUUVUNZPQY-QZTJIDSGSA-N 1 3 323.484 4.164 20 0 DIADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000093515384 1046936231 /nfs/dbraw/zinc/93/62/31/1046936231.db2.gz XJNVSMNMZCENRO-CBBWQLFWSA-N 1 3 306.416 4.008 20 0 DIADHO CC(C)C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccncc1 ZINC000647291139 1046967954 /nfs/dbraw/zinc/96/79/54/1046967954.db2.gz GYYAHWRUGYBZIW-FQEVSTJZSA-N 1 3 315.505 4.165 20 0 DIADHO CCN(CCC[NH+](C)C)Cc1ccccc1-c1cccs1 ZINC001141097595 1047012803 /nfs/dbraw/zinc/01/28/03/1047012803.db2.gz QZXVFGHWNBDUQX-UHFFFAOYSA-N 1 3 302.487 4.189 20 0 DIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cc3ccccc3s2)[C@@H](C)C1 ZINC000536661829 1047052797 /nfs/dbraw/zinc/05/27/97/1047052797.db2.gz GLMSCEUFGMHVTG-WMLDXEAASA-N 1 3 302.487 4.063 20 0 DIADHO CC[N@H+]1CC[C@@H](N(C)Cc2cc3ccccc3s2)[C@@H](C)C1 ZINC000536661829 1047052813 /nfs/dbraw/zinc/05/28/13/1047052813.db2.gz GLMSCEUFGMHVTG-WMLDXEAASA-N 1 3 302.487 4.063 20 0 DIADHO Cc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379651975 1047090869 /nfs/dbraw/zinc/09/08/69/1047090869.db2.gz VOJPAGVKISWNKI-GHTZIAJQSA-N 1 3 308.469 4.138 20 0 DIADHO Cc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379651975 1047090885 /nfs/dbraw/zinc/09/08/85/1047090885.db2.gz VOJPAGVKISWNKI-GHTZIAJQSA-N 1 3 308.469 4.138 20 0 DIADHO C[C@@H]1C[C@H](NC/C=C/c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379657676 1047097520 /nfs/dbraw/zinc/09/75/20/1047097520.db2.gz UJABLMIHCPDBHJ-FUSPUOGNSA-N 1 3 320.480 4.343 20 0 DIADHO C[C@@H]1C[C@H](NC/C=C/c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379657676 1047097532 /nfs/dbraw/zinc/09/75/32/1047097532.db2.gz UJABLMIHCPDBHJ-FUSPUOGNSA-N 1 3 320.480 4.343 20 0 DIADHO C[NH2+]Cc1ccccc1CN[C@H](c1ccc(F)c(F)c1)C(C)C ZINC000650757290 1047280902 /nfs/dbraw/zinc/28/09/02/1047280902.db2.gz UCGCEXJSGPHMEW-IBGZPJMESA-N 1 3 318.411 4.171 20 0 DIADHO FC1(F)CC[C@H](CC[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000898017429 1047312483 /nfs/dbraw/zinc/31/24/83/1047312483.db2.gz MTWLKNPFSVFPEF-OAHLLOKOSA-N 1 3 314.464 4.199 20 0 DIADHO c1cc(CNCc2ccc(C[NH+]3CCCCC3)cc2)n(C2CC2)c1 ZINC001119283605 1047326240 /nfs/dbraw/zinc/32/62/40/1047326240.db2.gz WFIPVXCZHKFOKC-UHFFFAOYSA-N 1 3 323.484 4.099 20 0 DIADHO C[C@@H](NCC1CC[NH+](C)CC1)c1cc(F)c(Cl)cc1Cl ZINC000044516673 1047344902 /nfs/dbraw/zinc/34/49/02/1047344902.db2.gz MXIZNEGNMUELIX-SNVBAGLBSA-N 1 3 319.251 4.125 20 0 DIADHO CN1CC2(C1)CC[NH+](Cc1ccc(-c3cccs3)s1)CC2 ZINC001139023212 1047405378 /nfs/dbraw/zinc/40/53/78/1047405378.db2.gz QTONWZSSICAJMF-UHFFFAOYSA-N 1 3 318.511 4.004 20 0 DIADHO Cc1ccc(-c2ccc(C[NH+]3CCC4(CN(C)C4)CC3)cc2)cc1 ZINC001142309995 1047428969 /nfs/dbraw/zinc/42/89/69/1047428969.db2.gz NWXHMLFDAZNIQH-UHFFFAOYSA-N 1 3 320.480 4.190 20 0 DIADHO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000089513051 1047485417 /nfs/dbraw/zinc/48/54/17/1047485417.db2.gz VVFFMQHYRBBTAV-SFHVURJKSA-N 1 3 316.489 4.061 20 0 DIADHO CN(Cc1cc(C(F)(F)F)ccc1Cl)C1CCC([NH3+])CC1 ZINC000843055884 1047526044 /nfs/dbraw/zinc/52/60/44/1047526044.db2.gz RCPNBWQHQFEQBB-UHFFFAOYSA-N 1 3 320.786 4.061 20 0 DIADHO Cc1ccc(Oc2cccc(CN3CCCC[C@H](C[NH3+])C3)c2)cc1 ZINC001206632131 1047567891 /nfs/dbraw/zinc/56/78/91/1047567891.db2.gz GKAGFQLGUMYHHH-LJQANCHMSA-N 1 3 324.468 4.348 20 0 DIADHO CC[NH+](CC)Cc1ccc(CNCc2ccsc2C)cc1 ZINC000315183036 1047599672 /nfs/dbraw/zinc/59/96/72/1047599672.db2.gz UMELQVJPEGIXRT-UHFFFAOYSA-N 1 3 302.487 4.188 20 0 DIADHO Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995659 1047612567 /nfs/dbraw/zinc/61/25/67/1047612567.db2.gz VPNHZGJKDXHSNZ-QILLFSRXSA-N 1 3 318.892 4.240 20 0 DIADHO C[C@H](NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000537944909 1047645824 /nfs/dbraw/zinc/64/58/24/1047645824.db2.gz SGHRKGHFOXIZNL-ZIFCJYIRSA-N 1 3 312.457 4.231 20 0 DIADHO C[C@H](NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000537944909 1047645829 /nfs/dbraw/zinc/64/58/29/1047645829.db2.gz SGHRKGHFOXIZNL-ZIFCJYIRSA-N 1 3 312.457 4.231 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@@H]3CC[N@@H+](C)C[C@@H]3C)c2)cc1 ZINC000537957792 1047646895 /nfs/dbraw/zinc/64/68/95/1047646895.db2.gz UZYDKHIAOSRFST-LAUBAEHRSA-N 1 3 308.469 4.092 20 0 DIADHO Cc1ccc(-c2cccc(CN[C@@H]3CC[N@H+](C)C[C@@H]3C)c2)cc1 ZINC000537957792 1047646896 /nfs/dbraw/zinc/64/68/96/1047646896.db2.gz UZYDKHIAOSRFST-LAUBAEHRSA-N 1 3 308.469 4.092 20 0 DIADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000538406021 1047673240 /nfs/dbraw/zinc/67/32/40/1047673240.db2.gz MBLXPLCNYDFJHF-HNNXBMFYSA-N 1 3 320.436 4.499 20 0 DIADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000538406021 1047673246 /nfs/dbraw/zinc/67/32/46/1047673246.db2.gz MBLXPLCNYDFJHF-HNNXBMFYSA-N 1 3 320.436 4.499 20 0 DIADHO CCc1c2cc(C)ccc2oc1[C@H](C)NCC1=CC[N@H+](C)CC1 ZINC000538408815 1047676059 /nfs/dbraw/zinc/67/60/59/1047676059.db2.gz SBXRMVZQDZRUBW-HNNXBMFYSA-N 1 3 312.457 4.216 20 0 DIADHO CCc1c2cc(C)ccc2oc1[C@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000538408815 1047676063 /nfs/dbraw/zinc/67/60/63/1047676063.db2.gz SBXRMVZQDZRUBW-HNNXBMFYSA-N 1 3 312.457 4.216 20 0 DIADHO C[NH+](C)Cc1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000479120425 1047840945 /nfs/dbraw/zinc/84/09/45/1047840945.db2.gz TTYKPTUBZBVECZ-LJQANCHMSA-N 1 3 314.860 4.179 20 0 DIADHO CC1(C)[C@@H](c2ccccc2)C[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000479516362 1047919727 /nfs/dbraw/zinc/91/97/27/1047919727.db2.gz KMWIAPNKAMOGDZ-TUNPWDSISA-N 1 3 312.501 4.175 20 0 DIADHO CCC[C@@H](C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC001183571142 1047945057 /nfs/dbraw/zinc/94/50/57/1047945057.db2.gz FMESUKBOIAPDJA-PMXSJFBMSA-N 1 3 314.517 4.455 20 0 DIADHO CC(C)(C)c1cc(Nc2ccccc2N2CCC[C@@H]([NH3+])C2)ccn1 ZINC001159983188 1047963444 /nfs/dbraw/zinc/96/34/44/1047963444.db2.gz TUIVNMLTWHZRSD-OAHLLOKOSA-N 1 3 324.472 4.050 20 0 DIADHO CN(C)Cc1ccccc1Nc1ccc(CC2CC[NH2+]CC2)cc1 ZINC001160010920 1047968149 /nfs/dbraw/zinc/96/81/49/1047968149.db2.gz DDQUSSNFROFTJF-UHFFFAOYSA-N 1 3 323.484 4.034 20 0 DIADHO CN(CCCF)C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001183896771 1047977193 /nfs/dbraw/zinc/97/71/93/1047977193.db2.gz IUKCUYVIRBPNSC-FQEVSTJZSA-N 1 3 320.496 4.216 20 0 DIADHO CN(CCCF)C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001183896771 1047977199 /nfs/dbraw/zinc/97/71/99/1047977199.db2.gz IUKCUYVIRBPNSC-FQEVSTJZSA-N 1 3 320.496 4.216 20 0 DIADHO C[N@H+](CCCF)C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001183896771 1047977201 /nfs/dbraw/zinc/97/72/01/1047977201.db2.gz IUKCUYVIRBPNSC-FQEVSTJZSA-N 1 3 320.496 4.216 20 0 DIADHO C[N@@H+](CCCF)C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC001183896771 1047977209 /nfs/dbraw/zinc/97/72/09/1047977209.db2.gz IUKCUYVIRBPNSC-FQEVSTJZSA-N 1 3 320.496 4.216 20 0 DIADHO C[NH+](C)CC[C@@H](N[C@H]1CCCCC12CCCC2)c1cccnc1 ZINC001183919394 1047982919 /nfs/dbraw/zinc/98/29/19/1047982919.db2.gz IYVDORCQMZIVRL-MOPGFXCFSA-N 1 3 315.505 4.167 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2ccc(SC)cc2)CC1 ZINC001204147109 1047988129 /nfs/dbraw/zinc/98/81/29/1047988129.db2.gz VSJVZYZNSBIOPF-UHFFFAOYSA-N 1 3 306.519 4.105 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2ccc(SC)cc2)CC1 ZINC001204147109 1047988141 /nfs/dbraw/zinc/98/81/41/1047988141.db2.gz VSJVZYZNSBIOPF-UHFFFAOYSA-N 1 3 306.519 4.105 20 0 DIADHO Cc1nc2ccc(Nc3ccc(C[C@@H]4CCC[NH2+]C4)cc3)cc2[nH]1 ZINC001160265283 1048015635 /nfs/dbraw/zinc/01/56/35/1048015635.db2.gz NONZWDNQJVTDQA-INIZCTEOSA-N 1 3 320.440 4.157 20 0 DIADHO CCCCCOc1ccc([C@@H](C)NC2CC[NH+](CC)CC2)cc1 ZINC000480031889 1048031835 /nfs/dbraw/zinc/03/18/35/1048031835.db2.gz ZXHQXMWETVBMAN-QGZVFWFLSA-N 1 3 318.505 4.391 20 0 DIADHO CCN(CC)CC[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1ccccc1 ZINC001184340884 1048033233 /nfs/dbraw/zinc/03/32/33/1048033233.db2.gz ZSCIUXIBIMUIPJ-RTBURBONSA-N 1 3 320.546 4.335 20 0 DIADHO c1ccc2c(c1)cccc2CNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001203271728 1048034617 /nfs/dbraw/zinc/03/46/17/1048034617.db2.gz XEGQADQKSKQBHE-GOSISDBHSA-N 1 3 308.469 4.051 20 0 DIADHO c1ccc2c(c1)cccc2CNC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001203271728 1048034633 /nfs/dbraw/zinc/03/46/33/1048034633.db2.gz XEGQADQKSKQBHE-GOSISDBHSA-N 1 3 308.469 4.051 20 0 DIADHO CC[NH+]1CCC(N[C@@H](C)c2cccc(-c3ccccc3)c2)CC1 ZINC000480046433 1048036770 /nfs/dbraw/zinc/03/67/70/1048036770.db2.gz FUIBBAPFHMYZNG-KRWDZBQOSA-N 1 3 308.469 4.489 20 0 DIADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1SC ZINC001184417806 1048037607 /nfs/dbraw/zinc/03/76/07/1048037607.db2.gz HPCXKFCMAZYFDL-CVEARBPZSA-N 1 3 308.535 4.050 20 0 DIADHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cc(F)ccc1F ZINC000480613770 1048191728 /nfs/dbraw/zinc/19/17/28/1048191728.db2.gz QBDRMEIQVZKRLW-GJZGRUSLSA-N 1 3 310.432 4.270 20 0 DIADHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cc(F)ccc1F ZINC000480613770 1048191733 /nfs/dbraw/zinc/19/17/33/1048191733.db2.gz QBDRMEIQVZKRLW-GJZGRUSLSA-N 1 3 310.432 4.270 20 0 DIADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cc1F ZINC000480625724 1048199478 /nfs/dbraw/zinc/19/94/78/1048199478.db2.gz NOTBYDKJFLMOJC-LSDHHAIUSA-N 1 3 310.432 4.270 20 0 DIADHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)cc1F ZINC000480625724 1048199485 /nfs/dbraw/zinc/19/94/85/1048199485.db2.gz NOTBYDKJFLMOJC-LSDHHAIUSA-N 1 3 310.432 4.270 20 0 DIADHO C[C@@H]1CCC[N@H+](CCCCNCc2ccsc2Cl)C1 ZINC000480659880 1048209004 /nfs/dbraw/zinc/20/90/04/1048209004.db2.gz GSICUWAPDRTMQJ-CYBMUJFWSA-N 1 3 300.899 4.003 20 0 DIADHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccsc2Cl)C1 ZINC000480659880 1048209021 /nfs/dbraw/zinc/20/90/21/1048209021.db2.gz GSICUWAPDRTMQJ-CYBMUJFWSA-N 1 3 300.899 4.003 20 0 DIADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(-c2ccccc2)c1 ZINC000480741755 1048233157 /nfs/dbraw/zinc/23/31/57/1048233157.db2.gz ACDFYPNSBXPSPS-QZTJIDSGSA-N 1 3 320.480 4.489 20 0 DIADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(-c2ccccc2)c1 ZINC000480741755 1048233165 /nfs/dbraw/zinc/23/31/65/1048233165.db2.gz ACDFYPNSBXPSPS-QZTJIDSGSA-N 1 3 320.480 4.489 20 0 DIADHO Cc1nc(NCC[PH+](C(C)C)C(C)C)cc(N2CCCC2)n1 ZINC001162359095 1048268158 /nfs/dbraw/zinc/26/81/58/1048268158.db2.gz WMRDCSSOMBJQIY-UHFFFAOYSA-N 1 3 322.437 4.096 20 0 DIADHO CC(C)[PH+](CCNc1ccc(CN(C)C2CC2)cn1)C(C)C ZINC001162363615 1048269174 /nfs/dbraw/zinc/26/91/74/1048269174.db2.gz VJETYXGSFDVALH-UHFFFAOYSA-N 1 3 321.449 4.386 20 0 DIADHO CCCCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(CC)C2)cc1 ZINC000481319099 1048363905 /nfs/dbraw/zinc/36/39/05/1048363905.db2.gz FKFLOCGKPVSDIU-QZTJIDSGSA-N 1 3 318.505 4.248 20 0 DIADHO C[C@H](NC1CC[NH+](C2CCC2)CC1)c1cc2c(s1)CCCC2 ZINC000481432589 1048402189 /nfs/dbraw/zinc/40/21/89/1048402189.db2.gz KSMHEYWCQKATFI-AWEZNQCLSA-N 1 3 318.530 4.294 20 0 DIADHO CC[C@@H]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC001201947416 1048407038 /nfs/dbraw/zinc/40/70/38/1048407038.db2.gz YJBQKJTZMXEXCS-RDGPPVDQSA-N 1 3 306.538 4.445 20 0 DIADHO CCN(CC)CCC[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1(C)C ZINC001175714084 1048420744 /nfs/dbraw/zinc/42/07/44/1048420744.db2.gz FMYJTZZUERDBGF-IBGZPJMESA-N 1 3 302.506 4.295 20 0 DIADHO CCN(CC)CCC[N@H+]1CC[C@@H](c2ccc(C)cc2)C1(C)C ZINC001175714084 1048420750 /nfs/dbraw/zinc/42/07/50/1048420750.db2.gz FMYJTZZUERDBGF-IBGZPJMESA-N 1 3 302.506 4.295 20 0 DIADHO CN1CCC[C@H]1CC[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000481816981 1048492123 /nfs/dbraw/zinc/49/21/23/1048492123.db2.gz SARBTYJHUADOKI-SFHVURJKSA-N 1 3 306.881 4.004 20 0 DIADHO C[N@@H+]1CCC[C@H]1CCN1CCC(c2ccc(Cl)cc2)CC1 ZINC000481816981 1048492130 /nfs/dbraw/zinc/49/21/30/1048492130.db2.gz SARBTYJHUADOKI-SFHVURJKSA-N 1 3 306.881 4.004 20 0 DIADHO C[N@H+]1CCC[C@H]1CCN1CCC(c2ccc(Cl)cc2)CC1 ZINC000481816981 1048492137 /nfs/dbraw/zinc/49/21/37/1048492137.db2.gz SARBTYJHUADOKI-SFHVURJKSA-N 1 3 306.881 4.004 20 0 DIADHO Cc1cccc(-c2cccc(CN[C@H]3CC[N@H+](C)[C@H](C)C3)c2)c1 ZINC000481920655 1048529169 /nfs/dbraw/zinc/52/91/69/1048529169.db2.gz FSBZXTXRUBLLMD-UTKZUKDTSA-N 1 3 308.469 4.234 20 0 DIADHO Cc1cccc(-c2cccc(CN[C@H]3CC[N@@H+](C)[C@H](C)C3)c2)c1 ZINC000481920655 1048529177 /nfs/dbraw/zinc/52/91/77/1048529177.db2.gz FSBZXTXRUBLLMD-UTKZUKDTSA-N 1 3 308.469 4.234 20 0 DIADHO Cc1cccc(-c2cccc(CN[C@@H]3CC[N@@H+](C)C[C@@H]3C)c2)c1 ZINC000481935506 1048533753 /nfs/dbraw/zinc/53/37/53/1048533753.db2.gz YTRZFXARXLLPFB-LAUBAEHRSA-N 1 3 308.469 4.092 20 0 DIADHO Cc1cccc(-c2cccc(CN[C@@H]3CC[N@H+](C)C[C@@H]3C)c2)c1 ZINC000481935506 1048533764 /nfs/dbraw/zinc/53/37/64/1048533764.db2.gz YTRZFXARXLLPFB-LAUBAEHRSA-N 1 3 308.469 4.092 20 0 DIADHO CC(C)CCOc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000482011510 1048543557 /nfs/dbraw/zinc/54/35/57/1048543557.db2.gz SRQKNWXQSJBBOF-ZIFCJYIRSA-N 1 3 318.505 4.245 20 0 DIADHO CC(C)CCOc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000482011510 1048543568 /nfs/dbraw/zinc/54/35/68/1048543568.db2.gz SRQKNWXQSJBBOF-ZIFCJYIRSA-N 1 3 318.505 4.245 20 0 DIADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CC(C)(C)c3ccccc32)C1 ZINC000482330514 1048591020 /nfs/dbraw/zinc/59/10/20/1048591020.db2.gz UTKVOPUYXPFVAE-APWZRJJASA-N 1 3 300.490 4.119 20 0 DIADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000482339862 1048591856 /nfs/dbraw/zinc/59/18/56/1048591856.db2.gz XQIMPKMJACCLQF-KSSFIOAISA-N 1 3 306.881 4.037 20 0 DIADHO CCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000482357180 1048594468 /nfs/dbraw/zinc/59/44/68/1048594468.db2.gz KHDNYBPHZDXIEB-ZWKOTPCHSA-N 1 3 318.505 4.246 20 0 DIADHO Cc1ccc2c(NCC3CN(Cc4ccccc4)C3)cc[nH+]c2c1 ZINC001165486315 1048692090 /nfs/dbraw/zinc/69/20/90/1048692090.db2.gz LHECXPAENZCMDG-UHFFFAOYSA-N 1 3 317.436 4.087 20 0 DIADHO CCC[C@H](C)[NH+]1CCC(c2ccccc2)(N2CCCC2)CC1 ZINC001176567059 1048727847 /nfs/dbraw/zinc/72/78/47/1048727847.db2.gz GMXIWWIQEGEKEQ-SFHVURJKSA-N 1 3 300.490 4.262 20 0 DIADHO CN1CCC[C@@H]1CC[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000483119629 1048738165 /nfs/dbraw/zinc/73/81/65/1048738165.db2.gz KTOLDMVFRCOSHL-GOSISDBHSA-N 1 3 306.881 4.004 20 0 DIADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(c2cccc(Cl)c2)CC1 ZINC000483119629 1048738177 /nfs/dbraw/zinc/73/81/77/1048738177.db2.gz KTOLDMVFRCOSHL-GOSISDBHSA-N 1 3 306.881 4.004 20 0 DIADHO C[N@H+]1CCC[C@@H]1CCN1CCC(c2cccc(Cl)c2)CC1 ZINC000483119629 1048738186 /nfs/dbraw/zinc/73/81/86/1048738186.db2.gz KTOLDMVFRCOSHL-GOSISDBHSA-N 1 3 306.881 4.004 20 0 DIADHO CC[C@@H](CC(F)F)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001190650753 1048773042 /nfs/dbraw/zinc/77/30/42/1048773042.db2.gz GDILJWNMMKHYHF-DLBZAZTESA-N 1 3 316.480 4.112 20 0 DIADHO C[N@H+](Cc1ccccc1CNCc1ccncc1)C1CCCCC1 ZINC000077589900 1048775924 /nfs/dbraw/zinc/77/59/24/1048775924.db2.gz JEXRPDWILLXPPQ-UHFFFAOYSA-N 1 3 323.484 4.136 20 0 DIADHO C[N@@H+](Cc1ccccc1CNCc1ccncc1)C1CCCCC1 ZINC000077589900 1048775937 /nfs/dbraw/zinc/77/59/37/1048775937.db2.gz JEXRPDWILLXPPQ-UHFFFAOYSA-N 1 3 323.484 4.136 20 0 DIADHO Cc1cccc(Cl)c1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001190819490 1048789376 /nfs/dbraw/zinc/78/93/76/1048789376.db2.gz WWIDLKYYIHPRCP-UHFFFAOYSA-N 1 3 308.897 4.201 20 0 DIADHO Cc1cccc(Cl)c1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC001190819490 1048789383 /nfs/dbraw/zinc/78/93/83/1048789383.db2.gz WWIDLKYYIHPRCP-UHFFFAOYSA-N 1 3 308.897 4.201 20 0 DIADHO C(C1CC2(CCC2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001190827858 1048791289 /nfs/dbraw/zinc/79/12/89/1048791289.db2.gz PYDZOQONYYFGHB-SFHVURJKSA-N 1 3 304.522 4.155 20 0 DIADHO CN1CCC[C@@H]2C[N@H+](CCCc3cccc4ccccc43)CC[C@H]21 ZINC000483494396 1048809762 /nfs/dbraw/zinc/80/97/62/1048809762.db2.gz USAFJNDUOPKTFG-IFMALSPDSA-N 1 3 322.496 4.189 20 0 DIADHO CN1CCC[C@@H]2C[N@@H+](CCCc3cccc4ccccc43)CC[C@H]21 ZINC000483494396 1048809775 /nfs/dbraw/zinc/80/97/75/1048809775.db2.gz USAFJNDUOPKTFG-IFMALSPDSA-N 1 3 322.496 4.189 20 0 DIADHO CC(C)CN1CCC([NH2+]Cc2cccc(CC3CCC3)c2)CC1 ZINC001177200312 1048843154 /nfs/dbraw/zinc/84/31/54/1048843154.db2.gz VYCYPSIPAVNGJH-UHFFFAOYSA-N 1 3 314.517 4.239 20 0 DIADHO CC1CC[NH+](CCCCNCc2cc(Cl)ccc2F)CC1 ZINC001177293913 1048856378 /nfs/dbraw/zinc/85/63/78/1048856378.db2.gz BDCOMGFURXRXSU-UHFFFAOYSA-N 1 3 312.860 4.081 20 0 DIADHO Cc1cc(C)c(/C=C/C[NH2+]C2CCN(CC3CC3)CC2)c(C)c1 ZINC001177333947 1048871454 /nfs/dbraw/zinc/87/14/54/1048871454.db2.gz IHJFATQAODGAIC-SNAWJCMRSA-N 1 3 312.501 4.089 20 0 DIADHO Cc1cc(C)c(/C=C/C[NH2+]C2CCN(C(C)(C)C)CC2)cc1C ZINC001177338186 1048871794 /nfs/dbraw/zinc/87/17/94/1048871794.db2.gz TZUWFSJTSIOVOX-BQYQJAHWSA-N 1 3 314.517 4.478 20 0 DIADHO Cc1cc(C)c([C@@H](C)N(C)CC[C@H]2CCCC[N@@H+]2C)c(C)c1 ZINC001191255186 1048895477 /nfs/dbraw/zinc/89/54/77/1048895477.db2.gz CECIOLBAVLARTH-RTBURBONSA-N 1 3 302.506 4.479 20 0 DIADHO Cc1cc(C)c([C@@H](C)N(C)CC[C@H]2CCCC[N@H+]2C)c(C)c1 ZINC001191255186 1048895487 /nfs/dbraw/zinc/89/54/87/1048895487.db2.gz CECIOLBAVLARTH-RTBURBONSA-N 1 3 302.506 4.479 20 0 DIADHO Cc1cccc([C@@H](C)C[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000484138423 1048909705 /nfs/dbraw/zinc/90/97/05/1048909705.db2.gz SXBRIUZWPZXLKR-SFHVURJKSA-N 1 3 314.517 4.485 20 0 DIADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(-c2ccncc2)cc1 ZINC000484492250 1048945459 /nfs/dbraw/zinc/94/54/59/1048945459.db2.gz MSXOGUQFEKCIFS-NDXORKPFSA-N 1 3 323.484 4.272 20 0 DIADHO CC(C)C1CCC(C[NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC001177949037 1048969010 /nfs/dbraw/zinc/96/90/10/1048969010.db2.gz NRDXSFIZFAKVOJ-UHFFFAOYSA-N 1 3 306.538 4.445 20 0 DIADHO CCCC1CCC(N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC001203751757 1049054994 /nfs/dbraw/zinc/05/49/94/1049054994.db2.gz VLVHECZXKXCIHJ-NKELODKYSA-N 1 3 303.494 4.023 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2cc(C)c(OC)cc2C)CC1 ZINC001203755110 1049072474 /nfs/dbraw/zinc/07/24/74/1049072474.db2.gz JKXMRXJOMZGYSE-UHFFFAOYSA-N 1 3 318.505 4.008 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2cc(C)c(OC)cc2C)CC1 ZINC001203755110 1049072486 /nfs/dbraw/zinc/07/24/86/1049072486.db2.gz JKXMRXJOMZGYSE-UHFFFAOYSA-N 1 3 318.505 4.008 20 0 DIADHO Cc1csc(CNCC(C)(C)C[N@H+](C)Cc2ccccc2)c1 ZINC001178754061 1049083044 /nfs/dbraw/zinc/08/30/44/1049083044.db2.gz AJOMKWJWUSMFMG-UHFFFAOYSA-N 1 3 316.514 4.304 20 0 DIADHO Cc1csc(CNCC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC001178754061 1049083059 /nfs/dbraw/zinc/08/30/59/1049083059.db2.gz AJOMKWJWUSMFMG-UHFFFAOYSA-N 1 3 316.514 4.304 20 0 DIADHO C[NH+](C)CC[C@H](NC1CCC(C(C)(C)C)CC1)c1cccnc1 ZINC001179636427 1049190552 /nfs/dbraw/zinc/19/05/52/1049190552.db2.gz GAYNIAWHWSVUEK-ACBHZAAOSA-N 1 3 317.521 4.269 20 0 DIADHO CCN(CC)CC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC001179805919 1049209819 /nfs/dbraw/zinc/20/98/19/1049209819.db2.gz VNGDONSDTOFTEX-MOPGFXCFSA-N 1 3 318.505 4.007 20 0 DIADHO C[NH+](C)Cc1ccc(-c2ccc(F)c(CN3CCCC3)c2)cc1 ZINC001204660350 1049213943 /nfs/dbraw/zinc/21/39/43/1049213943.db2.gz BXYIYSWKRPXPFE-UHFFFAOYSA-N 1 3 312.432 4.150 20 0 DIADHO C[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1csc2ccccc12 ZINC000858128160 1049219459 /nfs/dbraw/zinc/21/94/59/1049219459.db2.gz CIRVMHXBTNFFBV-UONOGXRCSA-N 1 3 302.487 4.425 20 0 DIADHO C[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1csc2ccccc12 ZINC000858128160 1049219468 /nfs/dbraw/zinc/21/94/68/1049219468.db2.gz CIRVMHXBTNFFBV-UONOGXRCSA-N 1 3 302.487 4.425 20 0 DIADHO CCC[NH+]1CCC(N(C)CCc2ccc(C(C)C)cc2)CC1 ZINC001180161700 1049303590 /nfs/dbraw/zinc/30/35/90/1049303590.db2.gz MSZWLWSQHZVLJE-UHFFFAOYSA-N 1 3 302.506 4.159 20 0 DIADHO Cc1occc1CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001180225155 1049309983 /nfs/dbraw/zinc/30/99/83/1049309983.db2.gz ONFJJSGIFBGWMB-MRXNPFEDSA-N 1 3 304.478 4.065 20 0 DIADHO Cc1occc1CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001180225155 1049309999 /nfs/dbraw/zinc/30/99/99/1049309999.db2.gz ONFJJSGIFBGWMB-MRXNPFEDSA-N 1 3 304.478 4.065 20 0 DIADHO CC(C)(C)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001180300786 1049327270 /nfs/dbraw/zinc/32/72/70/1049327270.db2.gz DVKAPIRESFAUMK-SLFFLAALSA-N 1 3 314.517 4.313 20 0 DIADHO C[NH2+]C[C@@H]1CCCN(Cc2cccc3c4ccccc4sc32)C1 ZINC001205009300 1049339981 /nfs/dbraw/zinc/33/99/81/1049339981.db2.gz MWVOHGTXVPBZPO-HNNXBMFYSA-N 1 3 324.493 4.486 20 0 DIADHO Cc1ccc(-c2ccccc2CN2CC[C@@H](C[NH+](C)C)C2)c(C)c1 ZINC001180792796 1049405032 /nfs/dbraw/zinc/40/50/32/1049405032.db2.gz DWHWOPGHHWYPOG-IBGZPJMESA-N 1 3 322.496 4.354 20 0 DIADHO CC[C@H](Cc1cccs1)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC001180795325 1049405152 /nfs/dbraw/zinc/40/51/52/1049405152.db2.gz VAOFBKHSIWGBLT-YESZJQIVSA-N 1 3 320.546 4.312 20 0 DIADHO CN1CC[C@]2(CC[N@H+](Cc3ccc(Cl)c4ccccc34)C2)C1 ZINC001194690713 1049412517 /nfs/dbraw/zinc/41/25/17/1049412517.db2.gz CSBRJZPGILLPKZ-IBGZPJMESA-N 1 3 314.860 4.021 20 0 DIADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(Cl)c4ccccc34)C2)C1 ZINC001194690713 1049412523 /nfs/dbraw/zinc/41/25/23/1049412523.db2.gz CSBRJZPGILLPKZ-IBGZPJMESA-N 1 3 314.860 4.021 20 0 DIADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(Cl)c4ccccc34)C2)C1 ZINC001194690714 1049412879 /nfs/dbraw/zinc/41/28/79/1049412879.db2.gz CSBRJZPGILLPKZ-LJQANCHMSA-N 1 3 314.860 4.021 20 0 DIADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(Cl)c4ccccc34)C2)C1 ZINC001194690714 1049412881 /nfs/dbraw/zinc/41/28/81/1049412881.db2.gz CSBRJZPGILLPKZ-LJQANCHMSA-N 1 3 314.860 4.021 20 0 DIADHO c1cc2c(cccc2C[N@H+]2CCCC[C@H]2CCN2CCCC2)[nH]1 ZINC001205281963 1049427219 /nfs/dbraw/zinc/42/72/19/1049427219.db2.gz KEWQOKQAVKDXCL-SFHVURJKSA-N 1 3 311.473 4.008 20 0 DIADHO c1cc2c(cccc2C[N@@H+]2CCCC[C@H]2CCN2CCCC2)[nH]1 ZINC001205281963 1049427228 /nfs/dbraw/zinc/42/72/28/1049427228.db2.gz KEWQOKQAVKDXCL-SFHVURJKSA-N 1 3 311.473 4.008 20 0 DIADHO c1cc2c(cccc2CN2CCCC[C@H]2CC[NH+]2CCCC2)[nH]1 ZINC001205281963 1049427237 /nfs/dbraw/zinc/42/72/37/1049427237.db2.gz KEWQOKQAVKDXCL-SFHVURJKSA-N 1 3 311.473 4.008 20 0 DIADHO Cc1cc(Oc2ccccc2)ccc1CN1CCC[C@@](C)([NH3+])CC1 ZINC001205295964 1049431418 /nfs/dbraw/zinc/43/14/18/1049431418.db2.gz DLJONLLEUZBPGM-OAQYLSRUSA-N 1 3 324.468 4.491 20 0 DIADHO CC[C@@H](CCc1ccccc1)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC001205390741 1049456992 /nfs/dbraw/zinc/45/69/92/1049456992.db2.gz CPIYTZQVLBEAKJ-QUCCMNQESA-N 1 3 302.506 4.252 20 0 DIADHO CC(C)c1ccc(CC[NH2+]CC[C@H](C)N2CCCCC2)cc1 ZINC001205391813 1049458796 /nfs/dbraw/zinc/45/87/96/1049458796.db2.gz UABYNWKRGJSBSD-SFHVURJKSA-N 1 3 302.506 4.207 20 0 DIADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2cc3ccccc3[nH]2)c1 ZINC000775630345 1049468833 /nfs/dbraw/zinc/46/88/33/1049468833.db2.gz YUFRLJXKSZQXPA-MRXNPFEDSA-N 1 3 321.468 4.470 20 0 DIADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2cc3ccccc3[nH]2)c1 ZINC000775630345 1049468839 /nfs/dbraw/zinc/46/88/39/1049468839.db2.gz YUFRLJXKSZQXPA-MRXNPFEDSA-N 1 3 321.468 4.470 20 0 DIADHO C[C@@H](C[NH2+]CC(C)(C)CN1CCCC1)c1cccc(Cl)c1 ZINC001181426791 1049473248 /nfs/dbraw/zinc/47/32/48/1049473248.db2.gz DLWCUBLWJQEWFR-HNNXBMFYSA-N 1 3 308.897 4.155 20 0 DIADHO Cc1cc(Cl)cc(CN(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC001181486979 1049485572 /nfs/dbraw/zinc/48/55/72/1049485572.db2.gz OANOKVKGMCJUDZ-UHFFFAOYSA-N 1 3 316.876 4.342 20 0 DIADHO CN(C)CCC[N@H+](C)Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001181556445 1049490000 /nfs/dbraw/zinc/49/00/00/1049490000.db2.gz WTHDJXDCBLBHMP-UHFFFAOYSA-N 1 3 316.876 4.391 20 0 DIADHO CN(C)CCC[N@@H+](C)Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001181556445 1049490009 /nfs/dbraw/zinc/49/00/09/1049490009.db2.gz WTHDJXDCBLBHMP-UHFFFAOYSA-N 1 3 316.876 4.391 20 0 DIADHO C[C@H](Cc1cccc(F)c1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001205554474 1049497175 /nfs/dbraw/zinc/49/71/75/1049497175.db2.gz GPGLBOVKVKPOFJ-UZLBHIALSA-N 1 3 318.480 4.143 20 0 DIADHO C[C@H](Cc1cccc(F)c1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001205554474 1049497187 /nfs/dbraw/zinc/49/71/87/1049497187.db2.gz GPGLBOVKVKPOFJ-UZLBHIALSA-N 1 3 318.480 4.143 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001205554468 1049497900 /nfs/dbraw/zinc/49/79/00/1049497900.db2.gz GPGLBOVKVKPOFJ-JXFKEZNVSA-N 1 3 318.480 4.143 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001205554468 1049497904 /nfs/dbraw/zinc/49/79/04/1049497904.db2.gz GPGLBOVKVKPOFJ-JXFKEZNVSA-N 1 3 318.480 4.143 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC001205599116 1049507736 /nfs/dbraw/zinc/50/77/36/1049507736.db2.gz LSPIYVHREYCHKI-RBUKOAKNSA-N 1 3 311.473 4.007 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC001205599116 1049507746 /nfs/dbraw/zinc/50/77/46/1049507746.db2.gz LSPIYVHREYCHKI-RBUKOAKNSA-N 1 3 311.473 4.007 20 0 DIADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1ccc2[nH]ccc2c1 ZINC001205599116 1049507757 /nfs/dbraw/zinc/50/77/57/1049507757.db2.gz LSPIYVHREYCHKI-RBUKOAKNSA-N 1 3 311.473 4.007 20 0 DIADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1ccc2[nH]ccc2c1 ZINC001205599116 1049507771 /nfs/dbraw/zinc/50/77/71/1049507771.db2.gz LSPIYVHREYCHKI-RBUKOAKNSA-N 1 3 311.473 4.007 20 0 DIADHO Cc1cc(Cl)c(CN2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(Cl)c1 ZINC001205639447 1049518096 /nfs/dbraw/zinc/51/80/96/1049518096.db2.gz ZAMVSLCNOPTXBY-STQMWFEESA-N 1 3 315.288 4.109 20 0 DIADHO CC(C)CCN1CCC([NH2+]CC[C@]2(C)CC2(Cl)Cl)CC1 ZINC001181807342 1049520726 /nfs/dbraw/zinc/52/07/26/1049520726.db2.gz DGSJKSVXGCSDGY-OAHLLOKOSA-N 1 3 321.336 4.061 20 0 DIADHO C[C@@H]1C[N@H+](CCCN2CCCCC2)CCc2ccc(Cl)cc21 ZINC001195767327 1049565144 /nfs/dbraw/zinc/56/51/44/1049565144.db2.gz JZAFEXMJQGFCNS-MRXNPFEDSA-N 1 3 320.908 4.178 20 0 DIADHO C[C@@H]1C[N@@H+](CCCN2CCCCC2)CCc2ccc(Cl)cc21 ZINC001195767327 1049565155 /nfs/dbraw/zinc/56/51/55/1049565155.db2.gz JZAFEXMJQGFCNS-MRXNPFEDSA-N 1 3 320.908 4.178 20 0 DIADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1(C(F)(F)F)CCCC1 ZINC000629550931 1049593604 /nfs/dbraw/zinc/59/36/04/1049593604.db2.gz QEBSHKHZRRSEOK-KBPBESRZSA-N 1 3 306.416 4.010 20 0 DIADHO C[C@@H]1[C@H](C[NH3+])CCCN1Cc1cc(-c2ccsc2)cs1 ZINC001205915141 1049601401 /nfs/dbraw/zinc/60/14/01/1049601401.db2.gz OONCVWORQORHMX-OLZOCXBDSA-N 1 3 306.500 4.036 20 0 DIADHO N[C@H]1CCCC[N@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC001205933097 1049606737 /nfs/dbraw/zinc/60/67/37/1049606737.db2.gz YDAWSMZCGKRHMG-KRWDZBQOSA-N 1 3 319.452 4.148 20 0 DIADHO N[C@H]1CCCC[N@@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC001205933097 1049606745 /nfs/dbraw/zinc/60/67/45/1049606745.db2.gz YDAWSMZCGKRHMG-KRWDZBQOSA-N 1 3 319.452 4.148 20 0 DIADHO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000864049271 1049638429 /nfs/dbraw/zinc/63/84/29/1049638429.db2.gz CYXXXGSHERKCEL-WMLDXEAASA-N 1 3 318.530 4.042 20 0 DIADHO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000864049271 1049638433 /nfs/dbraw/zinc/63/84/33/1049638433.db2.gz CYXXXGSHERKCEL-WMLDXEAASA-N 1 3 318.530 4.042 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)CS1 ZINC000488432030 1049652806 /nfs/dbraw/zinc/65/28/06/1049652806.db2.gz IFZLVADUWNFWKD-ROUUACIJSA-N 1 3 324.578 4.151 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H](NC2CC[NH+](CC3CCCC3)CC2)CS1 ZINC000488432030 1049652810 /nfs/dbraw/zinc/65/28/10/1049652810.db2.gz IFZLVADUWNFWKD-ROUUACIJSA-N 1 3 324.578 4.151 20 0 DIADHO CCCC[N@H+](C[C@@H](OC)C1CCC1)C1CC(C)(C)NC(C)(C)C1 ZINC001196545104 1049669261 /nfs/dbraw/zinc/66/92/61/1049669261.db2.gz KVGKZIYTJKJYEY-GOSISDBHSA-N 1 3 324.553 4.213 20 0 DIADHO CCCC[N@@H+](C[C@@H](OC)C1CCC1)C1CC(C)(C)NC(C)(C)C1 ZINC001196545104 1049669274 /nfs/dbraw/zinc/66/92/74/1049669274.db2.gz KVGKZIYTJKJYEY-GOSISDBHSA-N 1 3 324.553 4.213 20 0 DIADHO C[C@H]([NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000488584477 1049680855 /nfs/dbraw/zinc/68/08/55/1049680855.db2.gz RNGLALDLDGCGFS-UIBIWLFHSA-N 1 3 324.578 4.149 20 0 DIADHO C[C@H]1CNCCC[N@@H+]1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001206257882 1049691817 /nfs/dbraw/zinc/69/18/17/1049691817.db2.gz LLJLDAWOAUKWPZ-INIZCTEOSA-N 1 3 319.452 4.019 20 0 DIADHO C[C@H]1CNCCC[N@H+]1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001206257882 1049691822 /nfs/dbraw/zinc/69/18/22/1049691822.db2.gz LLJLDAWOAUKWPZ-INIZCTEOSA-N 1 3 319.452 4.019 20 0 DIADHO Cc1cc(CN2CCC[C@](C)(C[NH3+])CC2)c(Cl)cc1Cl ZINC001206324780 1049711184 /nfs/dbraw/zinc/71/11/84/1049711184.db2.gz DIJYQLMNIAQWLL-INIZCTEOSA-N 1 3 315.288 4.253 20 0 DIADHO C[C@H](N[C@@H]1CCc2cc(F)ccc21)c1cccc(C[NH+](C)C)c1 ZINC000924843769 1049729516 /nfs/dbraw/zinc/72/95/16/1049729516.db2.gz MWZNABIVCFJTHN-VBKZILBWSA-N 1 3 312.432 4.225 20 0 DIADHO C[C@@H](c1cccc2ccccc21)N1CCC(C)([NH+]2CCC2)CC1 ZINC001197265534 1049733218 /nfs/dbraw/zinc/73/32/18/1049733218.db2.gz UCRNBQNNWJFTNJ-KRWDZBQOSA-N 1 3 308.469 4.461 20 0 DIADHO C[C@@]1(C[NH3+])CCCCN(Cc2ccc(-c3cccs3)cc2)C1 ZINC001206563728 1049757159 /nfs/dbraw/zinc/75/71/59/1049757159.db2.gz IBJNSQYCEVZLRG-IBGZPJMESA-N 1 3 314.498 4.366 20 0 DIADHO CC(C)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC001206581489 1049762350 /nfs/dbraw/zinc/76/23/50/1049762350.db2.gz JLOYCAUAZBZKJW-INIZCTEOSA-N 1 3 314.395 4.058 20 0 DIADHO [NH3+]C[C@H]1CCCCN(Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001206622573 1049772468 /nfs/dbraw/zinc/77/24/68/1049772468.db2.gz GBYAPQDQTTWYPZ-CQSZACIVSA-N 1 3 318.848 4.161 20 0 DIADHO Clc1cccc(CC2CCN(CC[C@H]3CCCC[NH2+]3)CC2)c1 ZINC001206704382 1049782125 /nfs/dbraw/zinc/78/21/25/1049782125.db2.gz RUBFSIPJWGZXIV-LJQANCHMSA-N 1 3 320.908 4.127 20 0 DIADHO CC(C)[C@H](CSc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000490145562 1049802788 /nfs/dbraw/zinc/80/27/88/1049802788.db2.gz VFVVWEQAKVMYSV-LNLFQRSKSA-N 1 3 318.530 4.020 20 0 DIADHO CC(C)[C@H](CSc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000490145562 1049802800 /nfs/dbraw/zinc/80/28/00/1049802800.db2.gz VFVVWEQAKVMYSV-LNLFQRSKSA-N 1 3 318.530 4.020 20 0 DIADHO CC(C)[C@H](CSc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000490145560 1049803327 /nfs/dbraw/zinc/80/33/27/1049803327.db2.gz VFVVWEQAKVMYSV-AOIWGVFYSA-N 1 3 318.530 4.020 20 0 DIADHO CC(C)[C@H](CSc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000490145560 1049803336 /nfs/dbraw/zinc/80/33/36/1049803336.db2.gz VFVVWEQAKVMYSV-AOIWGVFYSA-N 1 3 318.530 4.020 20 0 DIADHO Cc1cc(CN2C[C@H](C[NH3+])CC[C@H]2C)ccc1Oc1ccccc1 ZINC001206806214 1049804598 /nfs/dbraw/zinc/80/45/98/1049804598.db2.gz FZLPXXKZQJRKDS-MJGOQNOKSA-N 1 3 324.468 4.347 20 0 DIADHO CN(C)CC(C)(C)C[N@H+](C)C(c1ccccc1)c1ccccc1 ZINC001207275796 1049873147 /nfs/dbraw/zinc/87/31/47/1049873147.db2.gz PPUUINSAMFJPFJ-UHFFFAOYSA-N 1 3 310.485 4.296 20 0 DIADHO CN(C)CC(C)(C)C[N@@H+](C)C(c1ccccc1)c1ccccc1 ZINC001207275796 1049873159 /nfs/dbraw/zinc/87/31/59/1049873159.db2.gz PPUUINSAMFJPFJ-UHFFFAOYSA-N 1 3 310.485 4.296 20 0 DIADHO CC1=CC[C@@H](CCN2CCC([NH+]3CCC(F)CC3)CC2)C1(C)C ZINC001207277671 1049874142 /nfs/dbraw/zinc/87/41/42/1049874142.db2.gz VCFRJHBNKFZYLF-KRWDZBQOSA-N 1 3 322.512 4.267 20 0 DIADHO C[C@@H]1CN(Cc2ccc(C3CCC3)cc2)CCN1c1cc[nH+]cc1 ZINC001207335432 1049880853 /nfs/dbraw/zinc/88/08/53/1049880853.db2.gz YZZDUMYYOXWONZ-QGZVFWFLSA-N 1 3 321.468 4.060 20 0 DIADHO Cc1cccc(CC[NH+]2CCC(N(C)Cc3ccccc3)CC2)c1 ZINC001207537583 1049908143 /nfs/dbraw/zinc/90/81/43/1049908143.db2.gz GRCRIYZRAXVLFB-UHFFFAOYSA-N 1 3 322.496 4.134 20 0 DIADHO Fc1cccc(CCC[N@@H+]2CCCC[C@H]2CCN2CCCC2)c1 ZINC001207602081 1049915833 /nfs/dbraw/zinc/91/58/33/1049915833.db2.gz NGDSRNKXHGTNQG-FQEVSTJZSA-N 1 3 318.480 4.099 20 0 DIADHO Fc1cccc(CCC[N@H+]2CCCC[C@H]2CCN2CCCC2)c1 ZINC001207602081 1049915836 /nfs/dbraw/zinc/91/58/36/1049915836.db2.gz NGDSRNKXHGTNQG-FQEVSTJZSA-N 1 3 318.480 4.099 20 0 DIADHO Fc1cccc(CCCN2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001207602081 1049915840 /nfs/dbraw/zinc/91/58/40/1049915840.db2.gz NGDSRNKXHGTNQG-FQEVSTJZSA-N 1 3 318.480 4.099 20 0 DIADHO CC(C)CC(CC(C)C)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC001207614396 1049916952 /nfs/dbraw/zinc/91/69/52/1049916952.db2.gz ZTRABHZIMGXQNA-IBGZPJMESA-N 1 3 305.510 4.125 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CC1(c2ccccc2)CC1 ZINC001207839683 1049942961 /nfs/dbraw/zinc/94/29/61/1049942961.db2.gz TWQWWBOTPROXFP-VQTJNVASSA-N 1 3 312.501 4.057 20 0 DIADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1CC1(c2ccccc2)CC1 ZINC001207839683 1049942971 /nfs/dbraw/zinc/94/29/71/1049942971.db2.gz TWQWWBOTPROXFP-VQTJNVASSA-N 1 3 312.501 4.057 20 0 DIADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCC(N(C)C)CC1 ZINC001207914047 1049954891 /nfs/dbraw/zinc/95/48/91/1049954891.db2.gz QUOHKZFEVTVUEP-KRWDZBQOSA-N 1 3 316.533 4.189 20 0 DIADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)CN1CCC([NH+](C)C)CC1 ZINC001207914047 1049954892 /nfs/dbraw/zinc/95/48/92/1049954892.db2.gz QUOHKZFEVTVUEP-KRWDZBQOSA-N 1 3 316.533 4.189 20 0 DIADHO COC(C)(C)CCC[C@@H](C)CC[NH+]1CCC(N(C)C2CC2)CC1 ZINC001208219594 1049987749 /nfs/dbraw/zinc/98/77/49/1049987749.db2.gz PWTUQHSQKUOTMQ-QGZVFWFLSA-N 1 3 324.553 4.167 20 0 DIADHO C[C@H](CN1CCC([NH+]2CCC2)CC1)c1cccc2ccccc21 ZINC001208710407 1050005751 /nfs/dbraw/zinc/00/57/51/1050005751.db2.gz HNRVPRUCYRUWEP-QGZVFWFLSA-N 1 3 308.469 4.113 20 0 DIADHO CCN(Cc1ccccc1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208929849 1050023938 /nfs/dbraw/zinc/02/39/38/1050023938.db2.gz VLKNGMQETVLFFG-QFIPXVFZSA-N 1 3 322.496 4.421 20 0 DIADHO CCN(Cc1ccccc1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208929849 1050023944 /nfs/dbraw/zinc/02/39/44/1050023944.db2.gz VLKNGMQETVLFFG-QFIPXVFZSA-N 1 3 322.496 4.421 20 0 DIADHO Clc1cccc([C@@H]2CC[N@@H+](C3CCN(CC4CC4)CC3)C2)c1 ZINC001168387730 1050023991 /nfs/dbraw/zinc/02/39/91/1050023991.db2.gz RPYGTSIYOFZCHC-QGZVFWFLSA-N 1 3 318.892 4.004 20 0 DIADHO Clc1cccc([C@@H]2CC[N@H+](C3CCN(CC4CC4)CC3)C2)c1 ZINC001168387730 1050023995 /nfs/dbraw/zinc/02/39/95/1050023995.db2.gz RPYGTSIYOFZCHC-QGZVFWFLSA-N 1 3 318.892 4.004 20 0 DIADHO c1ccc(CN2CCC[C@H](C[N@@H+]3CCC[C@H]4CCC[C@H]43)C2)cc1 ZINC001208939921 1050027875 /nfs/dbraw/zinc/02/78/75/1050027875.db2.gz LHPPAQALTNZKKE-PWRODBHTSA-N 1 3 312.501 4.163 20 0 DIADHO c1ccc(CN2CCC[C@H](C[N@H+]3CCC[C@H]4CCC[C@H]43)C2)cc1 ZINC001208939921 1050027878 /nfs/dbraw/zinc/02/78/78/1050027878.db2.gz LHPPAQALTNZKKE-PWRODBHTSA-N 1 3 312.501 4.163 20 0 DIADHO COc1ccc(CNCCCC[N@@H+]2CCCC[C@@H]2C)c(Cl)c1 ZINC000589837063 1050060204 /nfs/dbraw/zinc/06/02/04/1050060204.db2.gz ZNYPYXWJGFLXFH-HNNXBMFYSA-N 1 3 324.896 4.093 20 0 DIADHO COc1ccc(CNCCCC[N@H+]2CCCC[C@@H]2C)c(Cl)c1 ZINC000589837063 1050060212 /nfs/dbraw/zinc/06/02/12/1050060212.db2.gz ZNYPYXWJGFLXFH-HNNXBMFYSA-N 1 3 324.896 4.093 20 0 DIADHO COc1cccc([C@@H]2CCCC[N@@H+]2CCCN2CCCCC2)c1 ZINC001209449022 1050060586 /nfs/dbraw/zinc/06/05/86/1050060586.db2.gz PQUPQTWXMUITJN-FQEVSTJZSA-N 1 3 316.489 4.098 20 0 DIADHO COc1cccc([C@@H]2CCCC[N@H+]2CCCN2CCCCC2)c1 ZINC001209449022 1050060587 /nfs/dbraw/zinc/06/05/87/1050060587.db2.gz PQUPQTWXMUITJN-FQEVSTJZSA-N 1 3 316.489 4.098 20 0 DIADHO COc1cccc([C@H]2CCCC[N@@H+]2CCCN2CCCCC2)c1 ZINC001209449024 1050060624 /nfs/dbraw/zinc/06/06/24/1050060624.db2.gz PQUPQTWXMUITJN-HXUWFJFHSA-N 1 3 316.489 4.098 20 0 DIADHO COc1cccc([C@H]2CCCC[N@H+]2CCCN2CCCCC2)c1 ZINC001209449024 1050060626 /nfs/dbraw/zinc/06/06/26/1050060626.db2.gz PQUPQTWXMUITJN-HXUWFJFHSA-N 1 3 316.489 4.098 20 0 DIADHO CCOc1ccc([C@@H]2CCC[N@@H+]2CCCN2CCCCC2)cc1 ZINC001209451041 1050061733 /nfs/dbraw/zinc/06/17/33/1050061733.db2.gz RNSDOTIPMVDILR-FQEVSTJZSA-N 1 3 316.489 4.098 20 0 DIADHO CCOc1ccc([C@@H]2CCC[N@H+]2CCCN2CCCCC2)cc1 ZINC001209451041 1050061736 /nfs/dbraw/zinc/06/17/36/1050061736.db2.gz RNSDOTIPMVDILR-FQEVSTJZSA-N 1 3 316.489 4.098 20 0 DIADHO C[C@H](CSC(C)(C)C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000157533112 1050229812 /nfs/dbraw/zinc/22/98/12/1050229812.db2.gz DMAKNMLNLXNROG-OAHLLOKOSA-N 1 3 312.567 4.293 20 0 DIADHO C[C@H](CSC(C)(C)C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000157533112 1050229824 /nfs/dbraw/zinc/22/98/24/1050229824.db2.gz DMAKNMLNLXNROG-OAHLLOKOSA-N 1 3 312.567 4.293 20 0 DIADHO C[C@@H](c1nc2ccccc2s1)N(C)CCCCCCC[NH3+] ZINC000844220291 1050373554 /nfs/dbraw/zinc/37/35/54/1050373554.db2.gz CSPQYXBGGYDWOX-AWEZNQCLSA-N 1 3 305.491 4.198 20 0 DIADHO C[C@@]1(CC[NH2+]C2CCN(C3CCCCC3)CC2)C[C@@]1(F)Cl ZINC000846032883 1050650348 /nfs/dbraw/zinc/65/03/48/1050650348.db2.gz MZXMLNVDLYHHMD-SJORKVTESA-N 1 3 316.892 4.078 20 0 DIADHO c1cc2cccc(C[N@H+]3CCCC[C@H]3CCN3CCCC3)c2[nH]1 ZINC001144717013 1050667798 /nfs/dbraw/zinc/66/77/98/1050667798.db2.gz VGOBDYAGBFFFGS-IBGZPJMESA-N 1 3 311.473 4.008 20 0 DIADHO c1cc2cccc(C[N@@H+]3CCCC[C@H]3CCN3CCCC3)c2[nH]1 ZINC001144717013 1050667800 /nfs/dbraw/zinc/66/78/00/1050667800.db2.gz VGOBDYAGBFFFGS-IBGZPJMESA-N 1 3 311.473 4.008 20 0 DIADHO c1cc2cccc(CN3CCCC[C@H]3CC[NH+]3CCCC3)c2[nH]1 ZINC001144717013 1050667802 /nfs/dbraw/zinc/66/78/02/1050667802.db2.gz VGOBDYAGBFFFGS-IBGZPJMESA-N 1 3 311.473 4.008 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC001144718626 1050668498 /nfs/dbraw/zinc/66/84/98/1050668498.db2.gz UFRWLYAOHGYGDZ-OALUTQOASA-N 1 3 311.473 4.007 20 0 DIADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc2cc[nH]c21 ZINC001144718626 1050668504 /nfs/dbraw/zinc/66/85/04/1050668504.db2.gz UFRWLYAOHGYGDZ-OALUTQOASA-N 1 3 311.473 4.007 20 0 DIADHO CC[N@H+](Cc1ccccc1)C1CCN([C@@H]2CC[C@H](C)C2)CC1 ZINC001170151631 1051036325 /nfs/dbraw/zinc/03/63/25/1051036325.db2.gz HUXVJLOMVQSCPV-FXAWDEMLSA-N 1 3 300.490 4.162 20 0 DIADHO CC[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CC[C@H](C)C2)CC1 ZINC001170151631 1051036339 /nfs/dbraw/zinc/03/63/39/1051036339.db2.gz HUXVJLOMVQSCPV-FXAWDEMLSA-N 1 3 300.490 4.162 20 0 DIADHO CCC(CC)[N@@H+]1CC[C@H](N[C@H](C)Cc2ccccc2Cl)C1 ZINC001170260299 1051166242 /nfs/dbraw/zinc/16/62/42/1051166242.db2.gz HQIGEGQWPGNZSO-ZBFHGGJFSA-N 1 3 308.897 4.124 20 0 DIADHO CCC(CC)[N@H+]1CC[C@H](N[C@H](C)Cc2ccccc2Cl)C1 ZINC001170260299 1051166246 /nfs/dbraw/zinc/16/62/46/1051166246.db2.gz HQIGEGQWPGNZSO-ZBFHGGJFSA-N 1 3 308.897 4.124 20 0 DIADHO CCC(CC)N1CCC([NH2+][C@@H]2CCc3c(C)cccc3C2)CC1 ZINC001171560352 1051166625 /nfs/dbraw/zinc/16/66/25/1051166625.db2.gz RTPZLAPLSOQIDI-LJQANCHMSA-N 1 3 314.517 4.095 20 0 DIADHO C[C@@H](Cc1ccccc1Cl)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001170255953 1051175056 /nfs/dbraw/zinc/17/50/56/1051175056.db2.gz GGOVZBZYBQOOIO-HNNXBMFYSA-N 1 3 320.908 4.268 20 0 DIADHO CN1C(C)(C)CC([NH2+]C(C)(C)Cc2ccc(F)cc2)CC1(C)C ZINC001171619352 1051178921 /nfs/dbraw/zinc/17/89/21/1051178921.db2.gz LAQVMHLXYWGGGD-UHFFFAOYSA-N 1 3 320.496 4.388 20 0 DIADHO Cc1ccc2c(c1)[C@@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001171622946 1051179534 /nfs/dbraw/zinc/17/95/34/1051179534.db2.gz DORROKABSDAJAM-SFHVURJKSA-N 1 3 300.490 4.223 20 0 DIADHO CC[N@H+](Cc1ccc(F)cc1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171643032 1051197461 /nfs/dbraw/zinc/19/74/61/1051197461.db2.gz PTGWRKTZHCAOKS-UHFFFAOYSA-N 1 3 306.469 4.299 20 0 DIADHO CC[N@@H+](Cc1ccc(F)cc1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171643032 1051197462 /nfs/dbraw/zinc/19/74/62/1051197462.db2.gz PTGWRKTZHCAOKS-UHFFFAOYSA-N 1 3 306.469 4.299 20 0 DIADHO CN1C(C)(C)CC([N@H+](Cc2ccccc2)C2CC2)CC1(C)C ZINC001171643455 1051197984 /nfs/dbraw/zinc/19/79/84/1051197984.db2.gz TZASHCYORNSAPO-UHFFFAOYSA-N 1 3 300.490 4.302 20 0 DIADHO CN1C(C)(C)CC([N@@H+](Cc2ccccc2)C2CC2)CC1(C)C ZINC001171643455 1051197991 /nfs/dbraw/zinc/19/79/91/1051197991.db2.gz TZASHCYORNSAPO-UHFFFAOYSA-N 1 3 300.490 4.302 20 0 DIADHO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC001171969191 1051258071 /nfs/dbraw/zinc/25/80/71/1051258071.db2.gz UIIOALPZTOHBLB-MJGOQNOKSA-N 1 3 323.484 4.175 20 0 DIADHO C[C@H]1C[C@@H](CF)N([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171975746 1051265969 /nfs/dbraw/zinc/26/59/69/1051265969.db2.gz FEEWDXFCJWUJRI-UHOSZYNNSA-N 1 3 318.480 4.110 20 0 DIADHO C[C@H]1C[C@@H](CF)N([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171975746 1051265979 /nfs/dbraw/zinc/26/59/79/1051265979.db2.gz FEEWDXFCJWUJRI-UHOSZYNNSA-N 1 3 318.480 4.110 20 0 DIADHO Cc1occc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171984173 1051267090 /nfs/dbraw/zinc/26/70/90/1051267090.db2.gz SHTPWEAMDZSAEZ-LJQANCHMSA-N 1 3 312.457 4.121 20 0 DIADHO CC1(C)C[C@H](N2Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171978070 1051268617 /nfs/dbraw/zinc/26/86/17/1051268617.db2.gz WGNWJPAPUKZYNJ-OAQYLSRUSA-N 1 3 320.480 4.445 20 0 DIADHO CC1(C)C[C@H](N2Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC001171978070 1051268629 /nfs/dbraw/zinc/26/86/29/1051268629.db2.gz WGNWJPAPUKZYNJ-OAQYLSRUSA-N 1 3 320.480 4.445 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1c1c(F)cccc1F)C2 ZINC001172130992 1051294143 /nfs/dbraw/zinc/29/41/43/1051294143.db2.gz SRPUEHICLHWENW-KRXQYRFLSA-N 1 3 320.427 4.117 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H]1c1c(F)cccc1F)C2 ZINC001172130992 1051294155 /nfs/dbraw/zinc/29/41/55/1051294155.db2.gz SRPUEHICLHWENW-KRXQYRFLSA-N 1 3 320.427 4.117 20 0 DIADHO CCCCc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172102613 1051296403 /nfs/dbraw/zinc/29/64/03/1051296403.db2.gz NKQRXDBUCMCYQV-OWZKRDHZSA-N 1 3 300.490 4.134 20 0 DIADHO CCCCc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172102613 1051296415 /nfs/dbraw/zinc/29/64/15/1051296415.db2.gz NKQRXDBUCMCYQV-OWZKRDHZSA-N 1 3 300.490 4.134 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)C2 ZINC001172103420 1051296665 /nfs/dbraw/zinc/29/66/65/1051296665.db2.gz ULPMRWJBKXFOCM-PHZGNYQRSA-N 1 3 313.272 4.098 20 0 DIADHO CC[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)c(C)c1 ZINC001172108549 1051297045 /nfs/dbraw/zinc/29/70/45/1051297045.db2.gz BGLMSPHUFMLNIQ-ZMMAXQRCSA-N 1 3 304.453 4.190 20 0 DIADHO CC[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(C)c1 ZINC001172108549 1051297060 /nfs/dbraw/zinc/29/70/60/1051297060.db2.gz BGLMSPHUFMLNIQ-ZMMAXQRCSA-N 1 3 304.453 4.190 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)C2 ZINC001172103419 1051297786 /nfs/dbraw/zinc/29/77/86/1051297786.db2.gz ULPMRWJBKXFOCM-MUJYYYPQSA-N 1 3 313.272 4.098 20 0 DIADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCC[C@@H]1c1ccccc1F)C2 ZINC001172121780 1051304300 /nfs/dbraw/zinc/30/43/00/1051304300.db2.gz MLIBZZVJJLZRRQ-AXVVYFOYSA-N 1 3 316.464 4.368 20 0 DIADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCC[C@@H]1c1ccccc1F)C2 ZINC001172121780 1051304312 /nfs/dbraw/zinc/30/43/12/1051304312.db2.gz MLIBZZVJJLZRRQ-AXVVYFOYSA-N 1 3 316.464 4.368 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1c1cc(F)ccc1F)C2 ZINC001172124353 1051306336 /nfs/dbraw/zinc/30/63/36/1051306336.db2.gz KTNJFEUGUWBKEK-PASDCYSWSA-N 1 3 320.427 4.117 20 0 DIADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1c1cc(F)ccc1F)C2 ZINC001172124353 1051306348 /nfs/dbraw/zinc/30/63/48/1051306348.db2.gz KTNJFEUGUWBKEK-PASDCYSWSA-N 1 3 320.427 4.117 20 0 DIADHO CC[C@H](C)OCC[C@@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001172337690 1051361359 /nfs/dbraw/zinc/36/13/59/1051361359.db2.gz QQMHFPVKOILYMI-MSOLQXFVSA-N 1 3 324.553 4.214 20 0 DIADHO C[C@@H]1CC[C@H]([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)C[C@H]1C ZINC001172367382 1051378572 /nfs/dbraw/zinc/37/85/72/1051378572.db2.gz KQZIRGJHKKLKGN-MLYOOKFZSA-N 1 3 304.522 4.221 20 0 DIADHO CC(C)COCC[C@@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001172463831 1051414710 /nfs/dbraw/zinc/41/47/10/1051414710.db2.gz UQNQNMCKAOILDP-GOSISDBHSA-N 1 3 324.553 4.072 20 0 DIADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172550019 1051432202 /nfs/dbraw/zinc/43/22/02/1051432202.db2.gz AWEPJAXKUADXRO-RLLQIKCJSA-N 1 3 300.490 4.177 20 0 DIADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172550016 1051432552 /nfs/dbraw/zinc/43/25/52/1051432552.db2.gz AWEPJAXKUADXRO-MISYRCLQSA-N 1 3 300.490 4.177 20 0 DIADHO CC1([NH+]2CCCC2)CCN([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172567028 1051445145 /nfs/dbraw/zinc/44/51/45/1051445145.db2.gz BICHDNYKBSVVJO-WOJBJXKFSA-N 1 3 312.501 4.273 20 0 DIADHO CC(C)C[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC001169099575 1051508491 /nfs/dbraw/zinc/50/84/91/1051508491.db2.gz BTENAESUJNSTES-FCGDIQPGSA-N 1 3 304.453 4.128 20 0 DIADHO CC(C)C[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001169099575 1051508505 /nfs/dbraw/zinc/50/85/05/1051508505.db2.gz BTENAESUJNSTES-FCGDIQPGSA-N 1 3 304.453 4.128 20 0 DIADHO CC[NH+](CC)C1CCN([C@@H](Cc2ccccc2)CC(C)C)CC1 ZINC001169077194 1051511737 /nfs/dbraw/zinc/51/17/37/1051511737.db2.gz BMQGCTLMRXRQNF-OAQYLSRUSA-N 1 3 316.533 4.450 20 0 DIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCc1ccccc1-c1ccccc1)C2 ZINC001169081787 1051513704 /nfs/dbraw/zinc/51/37/04/1051513704.db2.gz WQLBJGSILTWDOF-ACDBMABISA-N 1 3 306.453 4.068 20 0 DIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCc1ccccc1-c1ccccc1)C2 ZINC001169081787 1051513718 /nfs/dbraw/zinc/51/37/18/1051513718.db2.gz WQLBJGSILTWDOF-ACDBMABISA-N 1 3 306.453 4.068 20 0 DIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](Cc1ccccc1)c1ccccc1)C2 ZINC001169081269 1051515524 /nfs/dbraw/zinc/51/55/24/1051515524.db2.gz PNHAHCQELJAGRW-KJJMTIBFSA-N 1 3 320.480 4.185 20 0 DIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](Cc1ccccc1)c1ccccc1)C2 ZINC001169081269 1051515538 /nfs/dbraw/zinc/51/55/38/1051515538.db2.gz PNHAHCQELJAGRW-KJJMTIBFSA-N 1 3 320.480 4.185 20 0 DIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](CC1CCC1)c1ccc(F)cc1)C2 ZINC001169116173 1051518354 /nfs/dbraw/zinc/51/83/54/1051518354.db2.gz OOZWESDCVAEHEB-HAGHYFMRSA-N 1 3 316.464 4.272 20 0 DIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](CC1CCC1)c1ccc(F)cc1)C2 ZINC001169116173 1051518362 /nfs/dbraw/zinc/51/83/62/1051518362.db2.gz OOZWESDCVAEHEB-HAGHYFMRSA-N 1 3 316.464 4.272 20 0 DIADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](CC1CCC1)c1ccc(F)cc1)C2 ZINC001169116184 1051519954 /nfs/dbraw/zinc/51/99/54/1051519954.db2.gz OOZWESDCVAEHEB-YSTOQKLRSA-N 1 3 316.464 4.272 20 0 DIADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](CC1CCC1)c1ccc(F)cc1)C2 ZINC001169116184 1051519966 /nfs/dbraw/zinc/51/99/66/1051519966.db2.gz OOZWESDCVAEHEB-YSTOQKLRSA-N 1 3 316.464 4.272 20 0 DIADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(c1cccs1)c1cccs1)C2 ZINC001169124968 1051521580 /nfs/dbraw/zinc/52/15/80/1051521580.db2.gz UVALPBVHCYSHBN-ZSOGYDGISA-N 1 3 318.511 4.114 20 0 DIADHO C[C@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccsc1 ZINC000178234343 1051565180 /nfs/dbraw/zinc/56/51/80/1051565180.db2.gz NULAEJDPPSRDSH-LSDHHAIUSA-N 1 3 320.527 4.372 20 0 DIADHO C[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccsc1 ZINC000178234343 1051565197 /nfs/dbraw/zinc/56/51/97/1051565197.db2.gz NULAEJDPPSRDSH-LSDHHAIUSA-N 1 3 320.527 4.372 20 0 DIADHO [NH3+][C@@H]1CCN(Cc2ccc(/C=C/c3ccccc3)cc2)CC[C@H]1F ZINC001206185415 1051588696 /nfs/dbraw/zinc/58/86/96/1051588696.db2.gz NOFVMTCUUMSCMM-DZEXYBDGSA-N 1 3 324.443 4.118 20 0 DIADHO CC[NH+](CC)C1CCC(NCc2c(F)ccc(C)c2F)CC1 ZINC001173105849 1051609000 /nfs/dbraw/zinc/60/90/00/1051609000.db2.gz WLUVJYGDISBZOH-UHFFFAOYSA-N 1 3 310.432 4.016 20 0 DIADHO CC[NH+](CC)C1CCC(N2CCc3ccc(Cl)cc3C2)CC1 ZINC001173107986 1051610478 /nfs/dbraw/zinc/61/04/78/1051610478.db2.gz ADGDQGIVWQJLFV-UHFFFAOYSA-N 1 3 320.908 4.351 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H](N)C1 ZINC001173204036 1051626863 /nfs/dbraw/zinc/62/68/63/1051626863.db2.gz BZGSZXKEQRJMQJ-PXNSSMCTSA-N 1 3 308.469 4.020 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H](N)C1 ZINC001173204036 1051626874 /nfs/dbraw/zinc/62/68/74/1051626874.db2.gz BZGSZXKEQRJMQJ-PXNSSMCTSA-N 1 3 308.469 4.020 20 0 DIADHO Cc1ccc(CN2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Cl)c1Cl ZINC001206013101 1051650441 /nfs/dbraw/zinc/65/04/41/1051650441.db2.gz PFCBTCANWFVLAZ-QWHCGFSZSA-N 1 3 315.288 4.109 20 0 DIADHO CC[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001173273689 1051670605 /nfs/dbraw/zinc/67/06/05/1051670605.db2.gz OXFJVIKCEXTZKX-APWZRJJASA-N 1 3 318.480 4.206 20 0 DIADHO CC[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001173273691 1051670679 /nfs/dbraw/zinc/67/06/79/1051670679.db2.gz OXFJVIKCEXTZKX-LPHOPBHVSA-N 1 3 318.480 4.206 20 0 DIADHO CCc1ccc(C[C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC001173242878 1051675589 /nfs/dbraw/zinc/67/55/89/1051675589.db2.gz XKRJYYUSLCFWDO-QGZVFWFLSA-N 1 3 314.517 4.177 20 0 DIADHO CCCN1C[C@@H]2C[N@H+]([C@H]3CCCC4(CCCCC4)C3)C[C@@H]2C1 ZINC001173348701 1051706161 /nfs/dbraw/zinc/70/61/61/1051706161.db2.gz KRSIAAKNRNRAQG-OTWHNJEPSA-N 1 3 304.522 4.153 20 0 DIADHO CCCN1C[C@@H]2C[N@@H+]([C@H]3CCCC4(CCCCC4)C3)C[C@@H]2C1 ZINC001173348701 1051706176 /nfs/dbraw/zinc/70/61/76/1051706176.db2.gz KRSIAAKNRNRAQG-OTWHNJEPSA-N 1 3 304.522 4.153 20 0 DIADHO C[C@H](CCc1ccccc1)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183192277 1051711424 /nfs/dbraw/zinc/71/14/24/1051711424.db2.gz KXZSJJQURGJYMZ-QWFCFKBJSA-N 1 3 314.517 4.250 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001168464155 1051827387 /nfs/dbraw/zinc/82/73/87/1051827387.db2.gz DUQJIYXRYYPRAW-INIZCTEOSA-N 1 3 318.480 4.001 20 0 DIADHO Cc1ccc(Cl)c(CN2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1Cl ZINC001206027321 1051934426 /nfs/dbraw/zinc/93/44/26/1051934426.db2.gz WDQQWDHGKGDYIU-STQMWFEESA-N 1 3 315.288 4.109 20 0 DIADHO CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)o1 ZINC000195139604 1052036190 /nfs/dbraw/zinc/03/61/90/1052036190.db2.gz LOGPTBMMDQRVDR-AEFFLSMTSA-N 1 3 312.457 4.015 20 0 DIADHO CCN1CC[C@H](C[NH2+][C@@H](c2ccccc2C)C2CCCC2)C1 ZINC000494890690 1052157818 /nfs/dbraw/zinc/15/78/18/1052157818.db2.gz OAJFQHGPMOOBGJ-YLJYHZDGSA-N 1 3 300.490 4.158 20 0 DIADHO CC(C)CCC[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000309951688 1052252729 /nfs/dbraw/zinc/25/27/29/1052252729.db2.gz GMKMWPOOEAXKKM-FQEVSTJZSA-N 1 3 302.506 4.315 20 0 DIADHO Cc1cccc(C)c1CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310340984 1052266420 /nfs/dbraw/zinc/26/64/20/1052266420.db2.gz CSVPGJWLAJYFMC-NRFANRHFSA-N 1 3 322.496 4.305 20 0 DIADHO Cc1cccc(C)c1CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310340984 1052266426 /nfs/dbraw/zinc/26/64/26/1052266426.db2.gz CSVPGJWLAJYFMC-NRFANRHFSA-N 1 3 322.496 4.305 20 0 DIADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(C)c(F)c1 ZINC000236911974 1052433333 /nfs/dbraw/zinc/43/33/33/1052433333.db2.gz IWAWXYPOIIEOTL-UHFFFAOYSA-N 1 3 314.448 4.266 20 0 DIADHO Cc1ccc([C@H](C)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000237531499 1052441918 /nfs/dbraw/zinc/44/19/18/1052441918.db2.gz RYMNUSNPZLTGIO-IBGZPJMESA-N 1 3 322.496 4.353 20 0 DIADHO C[C@H](CCc1ccccc1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000237508558 1052442105 /nfs/dbraw/zinc/44/21/05/1052442105.db2.gz ZVDLBFBMUBYURL-GOSISDBHSA-N 1 3 314.517 4.394 20 0 DIADHO CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CC[C@@]3(C2)CCCNC3)cc1 ZINC001222141087 1052449617 /nfs/dbraw/zinc/44/96/17/1052449617.db2.gz DPGIIWDYFCBUIJ-NQIIRXRSSA-N 1 3 314.517 4.064 20 0 DIADHO CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@@]3(C2)CCCNC3)cc1 ZINC001222141087 1052449622 /nfs/dbraw/zinc/44/96/22/1052449622.db2.gz DPGIIWDYFCBUIJ-NQIIRXRSSA-N 1 3 314.517 4.064 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001168498574 1052475091 /nfs/dbraw/zinc/47/50/91/1052475091.db2.gz URCAVKRXBBBFAU-FFZOFVMBSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001168498574 1052475094 /nfs/dbraw/zinc/47/50/94/1052475094.db2.gz URCAVKRXBBBFAU-FFZOFVMBSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)N1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001168498574 1052475100 /nfs/dbraw/zinc/47/51/00/1052475100.db2.gz URCAVKRXBBBFAU-FFZOFVMBSA-N 1 3 318.480 4.096 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)N1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001168498574 1052475105 /nfs/dbraw/zinc/47/51/05/1052475105.db2.gz URCAVKRXBBBFAU-FFZOFVMBSA-N 1 3 318.480 4.096 20 0 DIADHO c1cc(-c2ccccc2)oc1CN1CCC[C@@]12CCC[NH2+]CC2 ZINC001222314532 1052480010 /nfs/dbraw/zinc/48/00/10/1052480010.db2.gz HCGHORJEQCMPCV-HXUWFJFHSA-N 1 3 310.441 4.055 20 0 DIADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(Cl)c(Cl)c1 ZINC000037644465 1052628405 /nfs/dbraw/zinc/62/84/05/1052628405.db2.gz ZBAXFELYDGROSV-WBMJQRKESA-N 1 3 315.288 4.376 20 0 DIADHO Cc1ccsc1[C@H](C)NCCC[N@H+](C)Cc1ccccc1 ZINC000070089657 1052814242 /nfs/dbraw/zinc/81/42/42/1052814242.db2.gz BMUXWOBBGQWQPC-INIZCTEOSA-N 1 3 302.487 4.229 20 0 DIADHO Cc1ccsc1[C@H](C)NCCC[N@@H+](C)Cc1ccccc1 ZINC000070089657 1052814249 /nfs/dbraw/zinc/81/42/49/1052814249.db2.gz BMUXWOBBGQWQPC-INIZCTEOSA-N 1 3 302.487 4.229 20 0 DIADHO CC(C)([NH2+]CCCN1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000556366512 1052842286 /nfs/dbraw/zinc/84/22/86/1052842286.db2.gz JJQLNOSWYXGIGT-UHFFFAOYSA-N 1 3 314.395 4.016 20 0 DIADHO CC[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1cccc(C)c1 ZINC000556871191 1052891679 /nfs/dbraw/zinc/89/16/79/1052891679.db2.gz JSDBEOOEHGZUBE-HXUWFJFHSA-N 1 3 300.490 4.443 20 0 DIADHO CC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1cccc(C)c1 ZINC000556871188 1052892141 /nfs/dbraw/zinc/89/21/41/1052892141.db2.gz JSDBEOOEHGZUBE-FQEVSTJZSA-N 1 3 300.490 4.443 20 0 DIADHO C[C@H](c1cccc(F)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000615454964 1053018086 /nfs/dbraw/zinc/01/80/86/1053018086.db2.gz BYBYIWBQCPRLBY-QGZVFWFLSA-N 1 3 318.480 4.475 20 0 DIADHO CC[N@@H+]1CCC[C@@H](CN[C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC001319685170 1053263487 /nfs/dbraw/zinc/26/34/87/1053263487.db2.gz MSNZMHFDEXLAQF-KBXCAEBGSA-N 1 3 306.881 4.039 20 0 DIADHO CC[N@H+]1CCC[C@@H](CN[C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC001319685170 1053263497 /nfs/dbraw/zinc/26/34/97/1053263497.db2.gz MSNZMHFDEXLAQF-KBXCAEBGSA-N 1 3 306.881 4.039 20 0 DIADHO CC[N@@H+]1CCC[C@H](CN[C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC001319685173 1053263559 /nfs/dbraw/zinc/26/35/59/1053263559.db2.gz MSNZMHFDEXLAQF-RDTXWAMCSA-N 1 3 306.881 4.039 20 0 DIADHO CC[N@H+]1CCC[C@H](CN[C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC001319685173 1053263571 /nfs/dbraw/zinc/26/35/71/1053263571.db2.gz MSNZMHFDEXLAQF-RDTXWAMCSA-N 1 3 306.881 4.039 20 0 DIADHO C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H](CC[NH3+])C1 ZINC000070169718 1053398326 /nfs/dbraw/zinc/39/83/26/1053398326.db2.gz ICLGBMMUXAAJND-NWDGAFQWSA-N 1 3 301.261 4.115 20 0 DIADHO Cc1cc(C)c(C[NH+]2CCC(N3CCC(F)CC3)CC2)cc1C ZINC001231484222 1053763604 /nfs/dbraw/zinc/76/36/04/1053763604.db2.gz KELCBGFJFUDJJA-UHFFFAOYSA-N 1 3 318.480 4.010 20 0 DIADHO C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3-c3ccc(F)cc3)C2)C1 ZINC001231824440 1053878638 /nfs/dbraw/zinc/87/86/38/1053878638.db2.gz DSSIBKMCHMVMEV-NRFANRHFSA-N 1 3 324.443 4.020 20 0 DIADHO C[N@H+]1CC[C@]2(CCN(Cc3ccccc3-c3ccc(F)cc3)C2)C1 ZINC001231824440 1053878653 /nfs/dbraw/zinc/87/86/53/1053878653.db2.gz DSSIBKMCHMVMEV-NRFANRHFSA-N 1 3 324.443 4.020 20 0 DIADHO Cc1csc2sc(CN3CC4(C3)CC[NH+](C)CC4)c(C)c12 ZINC001231830411 1053882095 /nfs/dbraw/zinc/88/20/95/1053882095.db2.gz BQCYTZVFLNPMTK-UHFFFAOYSA-N 1 3 320.527 4.107 20 0 DIADHO CC(C)c1ccccc1C[NH+]1CCC(N2CCC(F)CC2)CC1 ZINC001231877835 1053902131 /nfs/dbraw/zinc/90/21/31/1053902131.db2.gz WVBWPANOPBQHLP-UHFFFAOYSA-N 1 3 318.480 4.208 20 0 DIADHO c1c2c[nH]ccc-2nc1C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001232015451 1053945531 /nfs/dbraw/zinc/94/55/31/1053945531.db2.gz JBASZDQUNPWFNK-QGZVFWFLSA-N 1 3 305.425 4.333 20 0 DIADHO c1c2c[nH]ccc-2nc1C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001232015451 1053945542 /nfs/dbraw/zinc/94/55/42/1053945542.db2.gz JBASZDQUNPWFNK-QGZVFWFLSA-N 1 3 305.425 4.333 20 0 DIADHO CN(C)Cc1cc(F)cc(C[NH+]2CCC(C(C)(C)C)CC2)c1 ZINC001232144138 1053970602 /nfs/dbraw/zinc/97/06/02/1053970602.db2.gz GKKMCQDUZKRQKA-UHFFFAOYSA-N 1 3 306.469 4.145 20 0 DIADHO CC[C@@H](c1ccccc1)[N@H+](C)Cc1cc(F)cc(CN(C)C)c1 ZINC001232145932 1053971851 /nfs/dbraw/zinc/97/18/51/1053971851.db2.gz FNVBTFDQQCMPTH-FQEVSTJZSA-N 1 3 314.448 4.470 20 0 DIADHO CC[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(F)cc(CN(C)C)c1 ZINC001232145932 1053971859 /nfs/dbraw/zinc/97/18/59/1053971859.db2.gz FNVBTFDQQCMPTH-FQEVSTJZSA-N 1 3 314.448 4.470 20 0 DIADHO CC(C)Sc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000165353034 1054075970 /nfs/dbraw/zinc/07/59/70/1054075970.db2.gz XKMOJVSEIJLKGY-ZOBUZTSGSA-N 1 3 306.519 4.320 20 0 DIADHO CC(C)Sc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000165353034 1054075975 /nfs/dbraw/zinc/07/59/75/1054075975.db2.gz XKMOJVSEIJLKGY-ZOBUZTSGSA-N 1 3 306.519 4.320 20 0 DIADHO CCCCN1CCC([N@H+](C)Cc2cc(Cl)ccc2C)CC1 ZINC001233251350 1054217174 /nfs/dbraw/zinc/21/71/74/1054217174.db2.gz YAXQPPIHVGTQLN-UHFFFAOYSA-N 1 3 308.897 4.345 20 0 DIADHO CCCCN1CCC([N@@H+](C)Cc2cc(Cl)ccc2C)CC1 ZINC001233251350 1054217182 /nfs/dbraw/zinc/21/71/82/1054217182.db2.gz YAXQPPIHVGTQLN-UHFFFAOYSA-N 1 3 308.897 4.345 20 0 DIADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1cc2ccccc2o1 ZINC000171127408 1054349386 /nfs/dbraw/zinc/34/93/86/1054349386.db2.gz QMVXBWYDIAEVAA-OAHLLOKOSA-N 1 3 308.425 4.345 20 0 DIADHO CC(C)c1cccc(NC(=[NH2+])NCC2(N(C)C)CCCCC2)c1 ZINC000849053480 1054362370 /nfs/dbraw/zinc/36/23/70/1054362370.db2.gz MSGCBJXHXBNASY-UHFFFAOYSA-N 1 3 316.493 4.011 20 0 DIADHO CC[C@@H](C)c1ccc(NC(=[NH2+])NCC2(N(C)C)CCCC2)cc1 ZINC000849056842 1054365963 /nfs/dbraw/zinc/36/59/63/1054365963.db2.gz XATLUPDXDNXCNV-OAHLLOKOSA-N 1 3 316.493 4.011 20 0 DIADHO Cc1sccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000339293403 1054495528 /nfs/dbraw/zinc/49/55/28/1054495528.db2.gz MYETZFMHPYFXLC-DNVCBOLYSA-N 1 3 314.498 4.199 20 0 DIADHO Cc1sccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000339293403 1054495533 /nfs/dbraw/zinc/49/55/33/1054495533.db2.gz MYETZFMHPYFXLC-DNVCBOLYSA-N 1 3 314.498 4.199 20 0 DIADHO C[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1cc2ccccc2s1 ZINC000623409763 1054587709 /nfs/dbraw/zinc/58/77/09/1054587709.db2.gz OCUDWENNWWETKE-UKRRQHHQSA-N 1 3 302.487 4.425 20 0 DIADHO C[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cc2ccccc2s1 ZINC000623409763 1054587723 /nfs/dbraw/zinc/58/77/23/1054587723.db2.gz OCUDWENNWWETKE-UKRRQHHQSA-N 1 3 302.487 4.425 20 0 DIADHO C[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1cc2ccccc2s1 ZINC000623409762 1054587988 /nfs/dbraw/zinc/58/79/88/1054587988.db2.gz OCUDWENNWWETKE-HIFRSBDPSA-N 1 3 302.487 4.425 20 0 DIADHO C[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1cc2ccccc2s1 ZINC000623409762 1054588002 /nfs/dbraw/zinc/58/80/02/1054588002.db2.gz OCUDWENNWWETKE-HIFRSBDPSA-N 1 3 302.487 4.425 20 0 DIADHO c1cc2c(cccc2CN2CCC[C@@]3(CCC[NH2+]3)CC2)s1 ZINC001235036699 1054644424 /nfs/dbraw/zinc/64/44/24/1054644424.db2.gz AWHKCEIAFHJITL-SFHVURJKSA-N 1 3 300.471 4.009 20 0 DIADHO c1ccc(-c2cccc(C[N@@H+]3CCCC34CCNCC4)c2)cc1 ZINC001235144459 1054664556 /nfs/dbraw/zinc/66/45/56/1054664556.db2.gz LMCZEUTYNSJKAX-UHFFFAOYSA-N 1 3 306.453 4.072 20 0 DIADHO c1ccc(-c2cccc(C[N@H+]3CCCC34CCNCC4)c2)cc1 ZINC001235144459 1054664566 /nfs/dbraw/zinc/66/45/66/1054664566.db2.gz LMCZEUTYNSJKAX-UHFFFAOYSA-N 1 3 306.453 4.072 20 0 DIADHO c1ccc2c(c1)oc1ccc(C[N@@H+]3CCCC34CCNCC4)cc12 ZINC001235140209 1054664606 /nfs/dbraw/zinc/66/46/06/1054664606.db2.gz GMYKMPXWNSXJIE-UHFFFAOYSA-N 1 3 320.436 4.304 20 0 DIADHO c1ccc2c(c1)oc1ccc(C[N@H+]3CCCC34CCNCC4)cc12 ZINC001235140209 1054664615 /nfs/dbraw/zinc/66/46/15/1054664615.db2.gz GMYKMPXWNSXJIE-UHFFFAOYSA-N 1 3 320.436 4.304 20 0 DIADHO c1ccc2c(c1)oc1ccc(CN3CCCC34CC[NH2+]CC4)cc12 ZINC001235140209 1054664623 /nfs/dbraw/zinc/66/46/23/1054664623.db2.gz GMYKMPXWNSXJIE-UHFFFAOYSA-N 1 3 320.436 4.304 20 0 DIADHO CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CCCC23CCNCC3)cc1 ZINC001235141788 1054665400 /nfs/dbraw/zinc/66/54/00/1054665400.db2.gz YXBAXMJHTUPGJD-GOSISDBHSA-N 1 3 314.517 4.207 20 0 DIADHO CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCCC23CCNCC3)cc1 ZINC001235141788 1054665402 /nfs/dbraw/zinc/66/54/02/1054665402.db2.gz YXBAXMJHTUPGJD-GOSISDBHSA-N 1 3 314.517 4.207 20 0 DIADHO Cc1ccc(-c2ccc(C[N@@H+]3CCCCC34CCNCC4)cc2)o1 ZINC001235189515 1054680585 /nfs/dbraw/zinc/68/05/85/1054680585.db2.gz KWMRNMDHIJTCHN-UHFFFAOYSA-N 1 3 324.468 4.363 20 0 DIADHO Cc1ccc(-c2ccc(C[N@H+]3CCCCC34CCNCC4)cc2)o1 ZINC001235189515 1054680591 /nfs/dbraw/zinc/68/05/91/1054680591.db2.gz KWMRNMDHIJTCHN-UHFFFAOYSA-N 1 3 324.468 4.363 20 0 DIADHO Cc1ccc(-c2ccc(CN3CCCCC34CC[NH2+]CC4)cc2)o1 ZINC001235189515 1054680595 /nfs/dbraw/zinc/68/05/95/1054680595.db2.gz KWMRNMDHIJTCHN-UHFFFAOYSA-N 1 3 324.468 4.363 20 0 DIADHO Cc1ccc2ccccc2c1C[N@@H+]1CCCCC12CCNCC2 ZINC001235189588 1054681103 /nfs/dbraw/zinc/68/11/03/1054681103.db2.gz MUKAQWWCNXXTAJ-UHFFFAOYSA-N 1 3 308.469 4.256 20 0 DIADHO Cc1ccc2ccccc2c1C[N@H+]1CCCCC12CCNCC2 ZINC001235189588 1054681110 /nfs/dbraw/zinc/68/11/10/1054681110.db2.gz MUKAQWWCNXXTAJ-UHFFFAOYSA-N 1 3 308.469 4.256 20 0 DIADHO c1ccc2c(c1)sc1c2cccc1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235272729 1054697721 /nfs/dbraw/zinc/69/77/21/1054697721.db2.gz QVDPMNUJIPGRFG-KSSFIOAISA-N 1 3 322.477 4.238 20 0 DIADHO c1ccc([C@H]2C[NH2+]C[C@@]23CCN(CCCC2CCCC2)C3)cc1 ZINC001235350227 1054706830 /nfs/dbraw/zinc/70/68/30/1054706830.db2.gz XKYDKMIVEIEGAN-NHCUHLMSSA-N 1 3 312.501 4.036 20 0 DIADHO C[N@H+](Cc1c2ccccc2[nH]c1-c1ccccc1)C1CCNCC1 ZINC001235464357 1054729726 /nfs/dbraw/zinc/72/97/26/1054729726.db2.gz DLCGMKPUGADWFI-UHFFFAOYSA-N 1 3 319.452 4.019 20 0 DIADHO C[N@@H+](Cc1c2ccccc2[nH]c1-c1ccccc1)C1CCNCC1 ZINC001235464357 1054729739 /nfs/dbraw/zinc/72/97/39/1054729739.db2.gz DLCGMKPUGADWFI-UHFFFAOYSA-N 1 3 319.452 4.019 20 0 DIADHO CN(Cc1c2ccccc2[nH]c1-c1ccccc1)C1CC[NH2+]CC1 ZINC001235464357 1054729750 /nfs/dbraw/zinc/72/97/50/1054729750.db2.gz DLCGMKPUGADWFI-UHFFFAOYSA-N 1 3 319.452 4.019 20 0 DIADHO [NH3+]C[C@H]1CCCN(Cc2ccc(/C=C/c3ccccc3)cc2)C1 ZINC001235674533 1054772287 /nfs/dbraw/zinc/77/22/87/1054772287.db2.gz GRVWAQMINJTWLH-MHNQQFQPSA-N 1 3 306.453 4.028 20 0 DIADHO Fc1ccccc1[C@@H]1CCCCN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235677872 1054772433 /nfs/dbraw/zinc/77/24/33/1054772433.db2.gz JGWJJMHQGNTVCP-NRFANRHFSA-N 1 3 324.443 4.199 20 0 DIADHO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc2oc3ccccc3c2c1 ZINC001235774537 1054803209 /nfs/dbraw/zinc/80/32/09/1054803209.db2.gz BEDHJSOSQSCZFP-MQVJKMGUSA-N 1 3 306.409 4.040 20 0 DIADHO Cc1cc(Oc2ccccc2)ccc1CN1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC001235812442 1054812648 /nfs/dbraw/zinc/81/26/48/1054812648.db2.gz WARFAFXMILWGFV-REPLKXPHSA-N 1 3 322.452 4.241 20 0 DIADHO c1ccc2c(c1)sc1ccc(CN3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc12 ZINC001235940335 1054858593 /nfs/dbraw/zinc/85/85/93/1054858593.db2.gz SJOQTZHQCWGDEL-JKSUJKDBSA-N 1 3 322.477 4.096 20 0 DIADHO CC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(Cl)s1 ZINC000624121463 1054885682 /nfs/dbraw/zinc/88/56/82/1054885682.db2.gz XFDVFHVHFNLPBZ-CHWSQXEVSA-N 1 3 300.899 4.174 20 0 DIADHO CC(C)[N@H+](CCN)Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001235947662 1054865202 /nfs/dbraw/zinc/86/52/02/1054865202.db2.gz MHFWPWAYHFBVGR-UHFFFAOYSA-N 1 3 302.849 4.176 20 0 DIADHO CC(C)[N@@H+](CCN)Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001235947662 1054865210 /nfs/dbraw/zinc/86/52/10/1054865210.db2.gz MHFWPWAYHFBVGR-UHFFFAOYSA-N 1 3 302.849 4.176 20 0 DIADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+](C)C[C@@H]1CCCNC1 ZINC001235950842 1054866465 /nfs/dbraw/zinc/86/64/65/1054866465.db2.gz NWUVJWKQSLDZQY-IEBWSBKVSA-N 1 3 316.533 4.094 20 0 DIADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)C[C@@H]1CCCNC1 ZINC001235950842 1054866477 /nfs/dbraw/zinc/86/64/77/1054866477.db2.gz NWUVJWKQSLDZQY-IEBWSBKVSA-N 1 3 316.533 4.094 20 0 DIADHO C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121987 1054883431 /nfs/dbraw/zinc/88/34/31/1054883431.db2.gz HHRWXAAMCMBQCO-KBPBESRZSA-N 1 3 314.926 4.044 20 0 DIADHO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121053 1054883774 /nfs/dbraw/zinc/88/37/74/1054883774.db2.gz MPRHGPCRNRKDRK-ZFWWWQNUSA-N 1 3 323.550 4.132 20 0 DIADHO CCSc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121325 1054885247 /nfs/dbraw/zinc/88/52/47/1054885247.db2.gz TZPKYLKXPQEJNN-HOTGVXAUSA-N 1 3 306.519 4.181 20 0 DIADHO C[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1cc2ccccc2s1 ZINC000624124069 1054885294 /nfs/dbraw/zinc/88/52/94/1054885294.db2.gz WJNXXURORCEKFN-LSDHHAIUSA-N 1 3 302.487 4.284 20 0 DIADHO C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cc2ccccc2s1 ZINC000624124069 1054885307 /nfs/dbraw/zinc/88/53/07/1054885307.db2.gz WJNXXURORCEKFN-LSDHHAIUSA-N 1 3 302.487 4.284 20 0 DIADHO Fc1c(CN2CCCCC2)cccc1-c1cccc2c1CC[NH2+]C2 ZINC001236012690 1054897896 /nfs/dbraw/zinc/89/78/96/1054897896.db2.gz RZPFMKYIDRCLPJ-UHFFFAOYSA-N 1 3 324.443 4.124 20 0 DIADHO C[C@@H]([NH3+])c1ccc(-c2cccc(CN3CCCCC3)c2F)cc1 ZINC001236016007 1054900596 /nfs/dbraw/zinc/90/05/96/1054900596.db2.gz SBNFQCNGVGWJSO-OAHLLOKOSA-N 1 3 312.432 4.498 20 0 DIADHO C[C@H]1C[C@H](N)C[N@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC001236045328 1054913308 /nfs/dbraw/zinc/91/33/08/1054913308.db2.gz BXKMKSXOWGYJNI-RDJZCZTQSA-N 1 3 319.452 4.004 20 0 DIADHO C[C@H]1C[C@H](N)C[N@@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC001236045328 1054913324 /nfs/dbraw/zinc/91/33/24/1054913324.db2.gz BXKMKSXOWGYJNI-RDJZCZTQSA-N 1 3 319.452 4.004 20 0 DIADHO C[C@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3)cc2)CCCN1 ZINC001236100072 1054943922 /nfs/dbraw/zinc/94/39/22/1054943922.db2.gz CQPRYOHAHBURHL-HNNXBMFYSA-N 1 3 314.860 4.191 20 0 DIADHO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)cc2)CCCN1 ZINC001236100072 1054943933 /nfs/dbraw/zinc/94/39/33/1054943933.db2.gz CQPRYOHAHBURHL-HNNXBMFYSA-N 1 3 314.860 4.191 20 0 DIADHO CCCN(Cc1cc(-c2ccsc2)cs1)C1CC[NH2+]CC1 ZINC001236183929 1054984511 /nfs/dbraw/zinc/98/45/11/1054984511.db2.gz BWTXFQVDDSXHII-UHFFFAOYSA-N 1 3 320.527 4.441 20 0 DIADHO CCN(Cc1cc2c(s1)CC[NH2+]C2)Cc1cccc(Cl)c1 ZINC001236191678 1054990051 /nfs/dbraw/zinc/99/00/51/1054990051.db2.gz CDPSEPSQGHFKAZ-UHFFFAOYSA-N 1 3 320.889 4.069 20 0 DIADHO CN(Cc1cc(C(F)(F)F)ccc1Cl)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223932 1055014853 /nfs/dbraw/zinc/01/48/53/1055014853.db2.gz RCPNBWQHQFEQBB-JOCQHMNTSA-N 1 3 320.786 4.061 20 0 DIADHO [NH3+]C1(c2ccc(-c3ccc(CN4CCCCC4)c(F)c3)cc2)CC1 ZINC001236248609 1055031653 /nfs/dbraw/zinc/03/16/53/1055031653.db2.gz ITRRNFQAXWNAPQ-UHFFFAOYSA-N 1 3 324.443 4.426 20 0 DIADHO C[C@H]([NH3+])c1ccc(-c2ccc(CN3CCCCC3)c(F)c2)cc1 ZINC001236251068 1055035347 /nfs/dbraw/zinc/03/53/47/1055035347.db2.gz LQDYMNFLLSRTOA-HNNXBMFYSA-N 1 3 312.432 4.498 20 0 DIADHO [NH3+]C1(c2ccccc2-c2ccc(CN3CCCCC3)c(F)c2)CC1 ZINC001236252039 1055035744 /nfs/dbraw/zinc/03/57/44/1055035744.db2.gz WZIJTAGNPMFYEB-UHFFFAOYSA-N 1 3 324.443 4.426 20 0 DIADHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1cnc2ccsc2c1 ZINC000183948860 1055063380 /nfs/dbraw/zinc/06/33/80/1055063380.db2.gz PIWAOJKMFYMBJM-AWEZNQCLSA-N 1 3 317.502 4.069 20 0 DIADHO Cc1ccc([C@@H](C)CC[N@H+](C[C@@H]2CCCNC2)C2CCCC2)o1 ZINC001236371232 1055077770 /nfs/dbraw/zinc/07/77/70/1055077770.db2.gz IICZYVFYJONOGK-FUHWJXTLSA-N 1 3 318.505 4.326 20 0 DIADHO Cc1ccc([C@@H](C)CC[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)o1 ZINC001236371232 1055077776 /nfs/dbraw/zinc/07/77/76/1055077776.db2.gz IICZYVFYJONOGK-FUHWJXTLSA-N 1 3 318.505 4.326 20 0 DIADHO Cc1cc(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc(F)c1F ZINC001236374122 1055078488 /nfs/dbraw/zinc/07/84/88/1055078488.db2.gz BKXSGEMSPUELNH-OAHLLOKOSA-N 1 3 322.443 4.017 20 0 DIADHO CC1=C[C@H](C)[C@@H](C[N@H+](C[C@@H]2CCCNC2)C2CCCC2)CC1 ZINC001236372590 1055078755 /nfs/dbraw/zinc/07/87/55/1055078755.db2.gz QPURLUCQEAZENY-IPMKNSEASA-N 1 3 304.522 4.223 20 0 DIADHO CC1=C[C@H](C)[C@@H](C[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)CC1 ZINC001236372590 1055078769 /nfs/dbraw/zinc/07/87/69/1055078769.db2.gz QPURLUCQEAZENY-IPMKNSEASA-N 1 3 304.522 4.223 20 0 DIADHO Cc1cccc(C)c1C[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236374089 1055079935 /nfs/dbraw/zinc/07/99/35/1055079935.db2.gz OYGWJNFUADJXOF-GOSISDBHSA-N 1 3 300.490 4.048 20 0 DIADHO Cc1cccc(C)c1C[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236374089 1055079947 /nfs/dbraw/zinc/07/99/47/1055079947.db2.gz OYGWJNFUADJXOF-GOSISDBHSA-N 1 3 300.490 4.048 20 0 DIADHO Fc1ccc(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1Cl ZINC001236375129 1055081457 /nfs/dbraw/zinc/08/14/57/1055081457.db2.gz XAGAWTPQRPEGBP-OAHLLOKOSA-N 1 3 324.871 4.223 20 0 DIADHO Cc1c(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)ccc(F)c1F ZINC001236376650 1055082219 /nfs/dbraw/zinc/08/22/19/1055082219.db2.gz UVIGXCZCLYNJJN-OAHLLOKOSA-N 1 3 322.443 4.017 20 0 DIADHO C[C@H]([NH2+]CCCc1cccc(F)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000185755476 1055097127 /nfs/dbraw/zinc/09/71/27/1055097127.db2.gz PXVHMGZPXPNHIT-WMZOPIPTSA-N 1 3 318.480 4.001 20 0 DIADHO C[C@@H]1[C@H](N)CCC[N@@H+]1Cc1cccc2c3ccccc3sc21 ZINC001236420835 1055105001 /nfs/dbraw/zinc/10/50/01/1055105001.db2.gz ONNSMMPYTFVNNG-CXAGYDPISA-N 1 3 310.466 4.366 20 0 DIADHO C[C@@H]1[C@H](N)CCC[N@H+]1Cc1cccc2c3ccccc3sc21 ZINC001236420835 1055105004 /nfs/dbraw/zinc/10/50/04/1055105004.db2.gz ONNSMMPYTFVNNG-CXAGYDPISA-N 1 3 310.466 4.366 20 0 DIADHO C[NH+](C)Cc1cccc(-c2ccc(F)c(CN3CCCC3)c2)c1 ZINC001236426359 1055109567 /nfs/dbraw/zinc/10/95/67/1055109567.db2.gz NKJXDPBDHYPMFS-UHFFFAOYSA-N 1 3 312.432 4.150 20 0 DIADHO CCCc1ccc(C[N@H+](CC(C)(C)C)C2CCNCC2)s1 ZINC001236456491 1055123858 /nfs/dbraw/zinc/12/38/58/1055123858.db2.gz FJHJNKBEFDLMKO-UHFFFAOYSA-N 1 3 308.535 4.301 20 0 DIADHO CCCc1ccc(C[N@@H+](CC(C)(C)C)C2CCNCC2)s1 ZINC001236456491 1055123861 /nfs/dbraw/zinc/12/38/61/1055123861.db2.gz FJHJNKBEFDLMKO-UHFFFAOYSA-N 1 3 308.535 4.301 20 0 DIADHO CCCc1ccc(CN(CC(C)(C)C)C2CC[NH2+]CC2)s1 ZINC001236456491 1055123863 /nfs/dbraw/zinc/12/38/63/1055123863.db2.gz FJHJNKBEFDLMKO-UHFFFAOYSA-N 1 3 308.535 4.301 20 0 DIADHO CCCCCCN(Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236454589 1055125484 /nfs/dbraw/zinc/12/54/84/1055125484.db2.gz ZRDUTJFQYAZXFY-UHFFFAOYSA-N 1 3 308.897 4.474 20 0 DIADHO CCCCCC[N@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236454589 1055125485 /nfs/dbraw/zinc/12/54/85/1055125485.db2.gz ZRDUTJFQYAZXFY-UHFFFAOYSA-N 1 3 308.897 4.474 20 0 DIADHO CCCCCC[N@@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236454589 1055125489 /nfs/dbraw/zinc/12/54/89/1055125489.db2.gz ZRDUTJFQYAZXFY-UHFFFAOYSA-N 1 3 308.897 4.474 20 0 DIADHO Cc1cc(F)cc(C[N@H+](CC2CCCCC2)C2CCNCC2)c1 ZINC001236481067 1055139282 /nfs/dbraw/zinc/13/92/82/1055139282.db2.gz OBWWOJGHUMHSCD-UHFFFAOYSA-N 1 3 318.480 4.268 20 0 DIADHO Cc1cc(F)cc(C[N@@H+](CC2CCCCC2)C2CCNCC2)c1 ZINC001236481067 1055139287 /nfs/dbraw/zinc/13/92/87/1055139287.db2.gz OBWWOJGHUMHSCD-UHFFFAOYSA-N 1 3 318.480 4.268 20 0 DIADHO Cc1cc(F)cc(CN(CC2CCCCC2)C2CC[NH2+]CC2)c1 ZINC001236481067 1055139292 /nfs/dbraw/zinc/13/92/92/1055139292.db2.gz OBWWOJGHUMHSCD-UHFFFAOYSA-N 1 3 318.480 4.268 20 0 DIADHO Cc1ccc(F)cc1C[N@H+](C[C@@H]1CC=CCC1)C1CCNCC1 ZINC001236509717 1055152352 /nfs/dbraw/zinc/15/23/52/1055152352.db2.gz QCNZGIPKILKLRR-QGZVFWFLSA-N 1 3 316.464 4.044 20 0 DIADHO Cc1ccc(F)cc1C[N@@H+](C[C@@H]1CC=CCC1)C1CCNCC1 ZINC001236509717 1055152363 /nfs/dbraw/zinc/15/23/63/1055152363.db2.gz QCNZGIPKILKLRR-QGZVFWFLSA-N 1 3 316.464 4.044 20 0 DIADHO Cc1ccc(F)cc1CN(CCC(C)(C)C)C1CC[NH2+]CC1 ZINC001236508794 1055152958 /nfs/dbraw/zinc/15/29/58/1055152958.db2.gz AOWMLOSJSZIKPV-UHFFFAOYSA-N 1 3 306.469 4.124 20 0 DIADHO Cc1ccc(F)cc1C[N@H+](CCC(C)(C)C)C1CCNCC1 ZINC001236508794 1055152962 /nfs/dbraw/zinc/15/29/62/1055152962.db2.gz AOWMLOSJSZIKPV-UHFFFAOYSA-N 1 3 306.469 4.124 20 0 DIADHO Cc1ccc(F)cc1C[N@@H+](CCC(C)(C)C)C1CCNCC1 ZINC001236508794 1055152967 /nfs/dbraw/zinc/15/29/67/1055152967.db2.gz AOWMLOSJSZIKPV-UHFFFAOYSA-N 1 3 306.469 4.124 20 0 DIADHO Cc1cc(F)ccc1C[N@H+](C[C@@H]1CC=CCC1)C1CCNCC1 ZINC001236518898 1055157634 /nfs/dbraw/zinc/15/76/34/1055157634.db2.gz YHLCRTCLWHUNHR-QGZVFWFLSA-N 1 3 316.464 4.044 20 0 DIADHO Cc1cc(F)ccc1C[N@@H+](C[C@@H]1CC=CCC1)C1CCNCC1 ZINC001236518898 1055157645 /nfs/dbraw/zinc/15/76/45/1055157645.db2.gz YHLCRTCLWHUNHR-QGZVFWFLSA-N 1 3 316.464 4.044 20 0 DIADHO Cc1ccc2ccccc2c1CN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236598151 1055202363 /nfs/dbraw/zinc/20/23/63/1055202363.db2.gz HNELFMOFDSOGDF-KRWDZBQOSA-N 1 3 308.469 4.112 20 0 DIADHO Cc1cccc(C)c1-c1cccc(CN2CC[C@@](C)(C[NH3+])C2)c1 ZINC001236617918 1055206543 /nfs/dbraw/zinc/20/65/43/1055206543.db2.gz YRDAFQRJJNJSLV-NRFANRHFSA-N 1 3 308.469 4.141 20 0 DIADHO C[C@]1(C[NH3+])CCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC001236616466 1055206611 /nfs/dbraw/zinc/20/66/11/1055206611.db2.gz NRUCAKIPLDEXNL-LJQANCHMSA-N 1 3 314.860 4.178 20 0 DIADHO CCCN(Cc1ccc(-c2ccc(C)o2)cc1)C[C@H]1CC[NH2+]C1 ZINC001236844606 1055286987 /nfs/dbraw/zinc/28/69/87/1055286987.db2.gz WQHZHJITAODILA-SFHVURJKSA-N 1 3 312.457 4.077 20 0 DIADHO CCCN(Cc1c(C)sc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001236842318 1055288011 /nfs/dbraw/zinc/28/80/11/1055288011.db2.gz DYOCAUACDGPSDY-HNNXBMFYSA-N 1 3 302.487 4.031 20 0 DIADHO CCCN(Cc1ccc(-c2cccs2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236845228 1055289336 /nfs/dbraw/zinc/28/93/36/1055289336.db2.gz ZXHAWTYGCNZEOH-QGZVFWFLSA-N 1 3 314.498 4.237 20 0 DIADHO c1ccc(CC[C@H]2CCC[N@H+](Cc3ccc4c(c3)CNC4)C2)cc1 ZINC001236948439 1055320913 /nfs/dbraw/zinc/32/09/13/1055320913.db2.gz DZJDKYVAYJNBCI-LJQANCHMSA-N 1 3 320.480 4.135 20 0 DIADHO c1ccc(CC[C@H]2CCC[N@@H+](Cc3ccc4c(c3)CNC4)C2)cc1 ZINC001236948439 1055320932 /nfs/dbraw/zinc/32/09/32/1055320932.db2.gz DZJDKYVAYJNBCI-LJQANCHMSA-N 1 3 320.480 4.135 20 0 DIADHO Cc1c(CN2CCC[C@@](C)(C[NH3+])C2)cccc1-c1ccccc1 ZINC001237080191 1055361827 /nfs/dbraw/zinc/36/18/27/1055361827.db2.gz DRKRSPJDYWEZOS-NRFANRHFSA-N 1 3 308.469 4.223 20 0 DIADHO CN1C[C@@H]2C[N@@H+](Cc3ccc4sc5ccccc5c4c3)C[C@@H]2C1 ZINC001237197306 1055401439 /nfs/dbraw/zinc/40/14/39/1055401439.db2.gz BMLLVCUXGJEIOC-IYBDPMFKSA-N 1 3 322.477 4.048 20 0 DIADHO CN1C[C@@H]2C[N@H+](Cc3ccc4sc5ccccc5c4c3)C[C@@H]2C1 ZINC001237197306 1055401452 /nfs/dbraw/zinc/40/14/52/1055401452.db2.gz BMLLVCUXGJEIOC-IYBDPMFKSA-N 1 3 322.477 4.048 20 0 DIADHO c1ccc(CCCC[N@@H+]2Cc3ccccc3C23CCNCC3)cc1 ZINC001237300551 1055420428 /nfs/dbraw/zinc/42/04/28/1055420428.db2.gz NHCNFADBAGRGEM-UHFFFAOYSA-N 1 3 320.480 4.104 20 0 DIADHO c1ccc(CCCC[N@H+]2Cc3ccccc3C23CCNCC3)cc1 ZINC001237300551 1055420434 /nfs/dbraw/zinc/42/04/34/1055420434.db2.gz NHCNFADBAGRGEM-UHFFFAOYSA-N 1 3 320.480 4.104 20 0 DIADHO CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC001620890688 1055514762 /nfs/dbraw/zinc/51/47/62/1055514762.db2.gz YAPLJWXNYGMIIB-UYAOXDASSA-N 1 3 306.538 4.445 20 0 DIADHO CC(C)c1ccc2c(c1)[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)CC2 ZINC001620910379 1055533356 /nfs/dbraw/zinc/53/33/56/1055533356.db2.gz PUKBMODOEPKXGT-HKUYNNGSSA-N 1 3 300.490 4.260 20 0 DIADHO CC(C)c1ccc2c(c1)[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)CC2 ZINC001620910379 1055533369 /nfs/dbraw/zinc/53/33/69/1055533369.db2.gz PUKBMODOEPKXGT-HKUYNNGSSA-N 1 3 300.490 4.260 20 0 DIADHO CC(C)c1ccc2c(c1)[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)CC2 ZINC001620910381 1055534079 /nfs/dbraw/zinc/53/40/79/1055534079.db2.gz PUKBMODOEPKXGT-MJGOQNOKSA-N 1 3 300.490 4.260 20 0 DIADHO CC(C)c1ccc2c(c1)[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)CC2 ZINC001620910381 1055534095 /nfs/dbraw/zinc/53/40/95/1055534095.db2.gz PUKBMODOEPKXGT-MJGOQNOKSA-N 1 3 300.490 4.260 20 0 DIADHO CC(C)C1=NCCc2ccc(C[NH+]3CCC(C)(F)CC3)cc21 ZINC001237881837 1055546699 /nfs/dbraw/zinc/54/66/99/1055546699.db2.gz WGLJXQBDPMCDBU-UHFFFAOYSA-N 1 3 302.437 4.012 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)cc21 ZINC001237881854 1055546997 /nfs/dbraw/zinc/54/69/97/1055546997.db2.gz WWXVNUIKLYCNPO-KDURUIRLSA-N 1 3 310.485 4.310 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@@H+]3C[C@@H]4CCCC[C@@H]4C3)cc21 ZINC001237881854 1055547001 /nfs/dbraw/zinc/54/70/01/1055547001.db2.gz WWXVNUIKLYCNPO-KDURUIRLSA-N 1 3 310.485 4.310 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)cc21 ZINC001237886056 1055550819 /nfs/dbraw/zinc/55/08/19/1055550819.db2.gz JZNRZDFLHOKMGW-ICSRJNTNSA-N 1 3 310.485 4.452 20 0 DIADHO CC(C)C1=NCCc2ccc(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)cc21 ZINC001237886056 1055550828 /nfs/dbraw/zinc/55/08/28/1055550828.db2.gz JZNRZDFLHOKMGW-ICSRJNTNSA-N 1 3 310.485 4.452 20 0 DIADHO CSC1CC[NH+](Cc2ccc3c(c2)C(C(C)C)=NCC3)CC1 ZINC001237886176 1055551192 /nfs/dbraw/zinc/55/11/92/1055551192.db2.gz MGQUUPNYPFQERE-UHFFFAOYSA-N 1 3 316.514 4.015 20 0 DIADHO Cc1ccc(Cl)c(CN2CCC(C3CC[NH+](C)CC3)CC2)c1 ZINC001238557072 1055687282 /nfs/dbraw/zinc/68/72/82/1055687282.db2.gz OZWOCYWOKFCPIB-UHFFFAOYSA-N 1 3 320.908 4.202 20 0 DIADHO CC(C)c1ccc(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001620983626 1055946380 /nfs/dbraw/zinc/94/63/80/1055946380.db2.gz OLJBXCQXPWHFAM-YADHBBJMSA-N 1 3 322.496 4.245 20 0 DIADHO CC(C)c1ccc(CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001620983626 1055946386 /nfs/dbraw/zinc/94/63/86/1055946386.db2.gz OLJBXCQXPWHFAM-YADHBBJMSA-N 1 3 322.496 4.245 20 0 DIADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)C1 ZINC001620819089 1056107495 /nfs/dbraw/zinc/10/74/95/1056107495.db2.gz MCQVSTCMAJXPGJ-SFTDATJTSA-N 1 3 308.469 4.316 20 0 DIADHO CC[NH+](CC)CC1CCN(Cc2c(C)cccc2Cl)CC1 ZINC001615172038 1056470005 /nfs/dbraw/zinc/47/00/05/1056470005.db2.gz DCDHHIKNZXYGBT-UHFFFAOYSA-N 1 3 308.897 4.202 20 0 DIADHO CC(C)(C)CN(CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC001615469957 1056516805 /nfs/dbraw/zinc/51/68/05/1056516805.db2.gz RQPXKVOHXQJINO-UHFFFAOYSA-N 1 3 302.506 4.411 20 0 DIADHO Fc1cc(-c2ccc3c(c2)CC[NH2+]C3)ccc1CN1CCCCC1 ZINC001240458212 1056519457 /nfs/dbraw/zinc/51/94/57/1056519457.db2.gz IPSGUQKVFAJKAQ-UHFFFAOYSA-N 1 3 324.443 4.124 20 0 DIADHO Clc1cccc(CCCCN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC001615596305 1056544120 /nfs/dbraw/zinc/54/41/20/1056544120.db2.gz YAZDKAIAWVQGAY-GOSISDBHSA-N 1 3 320.908 4.080 20 0 DIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2CC(C)C)[C@@H](C)C1 ZINC001615896637 1056592125 /nfs/dbraw/zinc/59/21/25/1056592125.db2.gz YZEJGEMLSDCJND-FXAWDEMLSA-N 1 3 302.506 4.047 20 0 DIADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2CC(C)C)[C@@H](C)C1 ZINC001615896637 1056592135 /nfs/dbraw/zinc/59/21/35/1056592135.db2.gz YZEJGEMLSDCJND-FXAWDEMLSA-N 1 3 302.506 4.047 20 0 DIADHO CCC(CC)[NH+]1CCC(N[C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168707342 1056933331 /nfs/dbraw/zinc/93/33/31/1056933331.db2.gz LKNWZBIQWJVRRW-INIZCTEOSA-N 1 3 320.908 4.050 20 0 DIADHO CCC(CC)N1CCC([NH2+][C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168707342 1056933336 /nfs/dbraw/zinc/93/33/36/1056933336.db2.gz LKNWZBIQWJVRRW-INIZCTEOSA-N 1 3 320.908 4.050 20 0 DIADHO Nc1ccnc2cc(-c3ccc(C[NH+]4CCCCC4)cc3)ccc12 ZINC001241388501 1057034793 /nfs/dbraw/zinc/03/47/93/1057034793.db2.gz BCTDAPODXYAZIL-UHFFFAOYSA-N 1 3 317.436 4.470 20 0 DIADHO C[C@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000390791446 1057049917 /nfs/dbraw/zinc/04/99/17/1057049917.db2.gz WTJYVYOLBYSZJC-AZUAARDMSA-N 1 3 308.469 4.249 20 0 DIADHO C[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000390791446 1057049921 /nfs/dbraw/zinc/04/99/21/1057049921.db2.gz WTJYVYOLBYSZJC-AZUAARDMSA-N 1 3 308.469 4.249 20 0 DIADHO CC[NH+](CC)Cc1ccc(-c2cnccc2/C=C/N(C)C)cc1 ZINC001241588896 1057101492 /nfs/dbraw/zinc/10/14/92/1057101492.db2.gz CTUOCHBLGVGXCV-WYMLVPIESA-N 1 3 309.457 4.123 20 0 DIADHO c1cc2cncc(-c3ccc(OCC[NH+]4CCCCC4)cc3)c2[nH]1 ZINC001241758657 1057159378 /nfs/dbraw/zinc/15/93/78/1057159378.db2.gz IVNDDHGUTUINMG-UHFFFAOYSA-N 1 3 321.424 4.095 20 0 DIADHO C[C@@H](c1ccncc1)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000675641660 1057391546 /nfs/dbraw/zinc/39/15/46/1057391546.db2.gz RDJZYEAINAYOGW-ROUUACIJSA-N 1 3 315.505 4.119 20 0 DIADHO C[C@@H](c1ccncc1)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000675641660 1057391552 /nfs/dbraw/zinc/39/15/52/1057391552.db2.gz RDJZYEAINAYOGW-ROUUACIJSA-N 1 3 315.505 4.119 20 0 DIADHO C[C@@H](c1ccncc1)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000675641657 1057391682 /nfs/dbraw/zinc/39/16/82/1057391682.db2.gz RDJZYEAINAYOGW-MSOLQXFVSA-N 1 3 315.505 4.119 20 0 DIADHO C[C@@H](c1ccncc1)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000675641657 1057391686 /nfs/dbraw/zinc/39/16/86/1057391686.db2.gz RDJZYEAINAYOGW-MSOLQXFVSA-N 1 3 315.505 4.119 20 0 DIADHO Cc1ccccc1[C@H](CC(C)C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000675752418 1057406945 /nfs/dbraw/zinc/40/69/45/1057406945.db2.gz SGWNKSIGJIFGTR-BJLQDIEVSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccccc1[C@H](CC(C)C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675752418 1057406947 /nfs/dbraw/zinc/40/69/47/1057406947.db2.gz SGWNKSIGJIFGTR-BJLQDIEVSA-N 1 3 300.490 4.299 20 0 DIADHO C[N@@H+]1CC[C@@H](N[C@@H](c2ccc(F)cc2)C2CCC2)CC1(C)C ZINC001649134318 1057553226 /nfs/dbraw/zinc/55/32/26/1057553226.db2.gz WPWSLIPMIMSPIO-QZTJIDSGSA-N 1 3 304.453 4.129 20 0 DIADHO C[N@H+]1CC[C@@H](N[C@@H](c2ccc(F)cc2)C2CCC2)CC1(C)C ZINC001649134318 1057553228 /nfs/dbraw/zinc/55/32/28/1057553228.db2.gz WPWSLIPMIMSPIO-QZTJIDSGSA-N 1 3 304.453 4.129 20 0 DIADHO Cc1cc2cc(-c3ccccc3CN3CCC([NH3+])CC3)ccc2[nH]1 ZINC001244243771 1057907843 /nfs/dbraw/zinc/90/78/43/1057907843.db2.gz SCJXZCJIZJTQMO-UHFFFAOYSA-N 1 3 319.452 4.066 20 0 DIADHO CC(C)([NH3+])c1ccc(-c2ccc(F)c(CN3CCCC3)c2)cc1 ZINC001245910824 1058613203 /nfs/dbraw/zinc/61/32/03/1058613203.db2.gz ADCFDWJPVKJKJK-UHFFFAOYSA-N 1 3 312.432 4.282 20 0 DIADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246108804 1058681005 /nfs/dbraw/zinc/68/10/05/1058681005.db2.gz GPNDMAABNJDENW-YRGRVCCFSA-N 1 3 315.288 4.045 20 0 DIADHO C[C@H]1CC([NH2+]CCc2ccc(Oc3ccccc3)cc2)C[C@H](C)N1 ZINC001246160414 1058703796 /nfs/dbraw/zinc/70/37/96/1058703796.db2.gz SXRSEAPSPUFMQY-IRXDYDNUSA-N 1 3 324.468 4.140 20 0 DIADHO CC(C)c1ccc(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC001246163121 1058706943 /nfs/dbraw/zinc/70/69/43/1058706943.db2.gz VUSKCOTUAZVGJD-LEWJYISDSA-N 1 3 308.469 4.393 20 0 DIADHO CC1(C)C[C@H](NCCc2cccc(Oc3ccccc3)c2)CC[NH2+]1 ZINC001246161012 1058707010 /nfs/dbraw/zinc/70/70/10/1058707010.db2.gz WWYTYYVYWALUQF-GOSISDBHSA-N 1 3 324.468 4.142 20 0 DIADHO CC1(C)C[C@H]([NH2+]CCc2cccc(Oc3ccccc3)c2)CCN1 ZINC001246161012 1058707023 /nfs/dbraw/zinc/70/70/23/1058707023.db2.gz WWYTYYVYWALUQF-GOSISDBHSA-N 1 3 324.468 4.142 20 0 DIADHO C[C@@H]1CC([NH2+]CCc2ccc(-c3ccccc3)cc2)C[C@@H](C)N1 ZINC001246163966 1058711019 /nfs/dbraw/zinc/71/10/19/1058711019.db2.gz RUMGUHRFCXBLFS-IAGOWNOFSA-N 1 3 308.469 4.015 20 0 DIADHO Fc1ccc(C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)c(Cl)c1 ZINC001246170560 1058713743 /nfs/dbraw/zinc/71/37/43/1058713743.db2.gz NBMJYQADIHIBEJ-AEFFLSMTSA-N 1 3 318.823 4.062 20 0 DIADHO CCCC[C@H]1C[C@H](NC2(c3ccccc3)CCCC2)CC[NH2+]1 ZINC001246173930 1058716004 /nfs/dbraw/zinc/71/60/04/1058716004.db2.gz BGHHEXRCOCGEFK-RBUKOAKNSA-N 1 3 300.490 4.356 20 0 DIADHO CC[C@@H]1C[C@@H](NCCCOc2cccc(Cl)c2)C[C@H](CC)[NH2+]1 ZINC001246176734 1058719995 /nfs/dbraw/zinc/71/99/95/1058719995.db2.gz RHDKDQDLVNWRIW-BJWYYQGGSA-N 1 3 324.896 4.008 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccc(Cl)cc2)CCN1 ZINC001246176940 1058721120 /nfs/dbraw/zinc/72/11/20/1058721120.db2.gz BTONBSKWSHRMQM-DLBZAZTESA-N 1 3 322.924 4.417 20 0 DIADHO CC(C)(C)[C@H]1C[C@H](NC2(c3ccccc3)CCCC2)CC[NH2+]1 ZINC001246179426 1058722341 /nfs/dbraw/zinc/72/23/41/1058722341.db2.gz NDKOILFBSJKBPC-QZTJIDSGSA-N 1 3 300.490 4.212 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H](NC2(c3ccccc3)CCCC2)CC[NH2+]1 ZINC001246179428 1058724809 /nfs/dbraw/zinc/72/48/09/1058724809.db2.gz NDKOILFBSJKBPC-ROUUACIJSA-N 1 3 300.490 4.212 20 0 DIADHO CC(C)(C)[C@@H]1C[C@H](NC2(c3ccccc3)CCCC2)CC[NH2+]1 ZINC001246179424 1058724968 /nfs/dbraw/zinc/72/49/68/1058724968.db2.gz NDKOILFBSJKBPC-MSOLQXFVSA-N 1 3 300.490 4.212 20 0 DIADHO CCCC[C@H]1C[C@H]([NH2+]CCCc2ccc(Cl)cc2)CCN1 ZINC001246183484 1058727350 /nfs/dbraw/zinc/72/73/50/1058727350.db2.gz YHGQDVXWHIMONO-ZWKOTPCHSA-N 1 3 308.897 4.173 20 0 DIADHO CC[C@H](N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC001246179788 1058728299 /nfs/dbraw/zinc/72/82/99/1058728299.db2.gz RRWXPZVBKIYNPQ-SLFFLAALSA-N 1 3 312.432 4.360 20 0 DIADHO CC(C)(Cc1ccc2ccccc2c1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246190143 1058730585 /nfs/dbraw/zinc/73/05/85/1058730585.db2.gz AWMIKNRIPNKNLV-WKCHPHFGSA-N 1 3 322.496 4.424 20 0 DIADHO c1ccc([C@H]2C[C@H](NCc3ccccc3C3CC3)CC[NH2+]2)cc1 ZINC001246186991 1058730773 /nfs/dbraw/zinc/73/07/73/1058730773.db2.gz DXFDWVBBDQRLAM-TZIWHRDSSA-N 1 3 306.453 4.147 20 0 DIADHO Cc1cc(C)c(C[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)c(C)c1 ZINC001246186369 1058731213 /nfs/dbraw/zinc/73/12/13/1058731213.db2.gz ZOCAUTCSEVHYJT-NHCUHLMSSA-N 1 3 322.496 4.065 20 0 DIADHO CC1(C)C[C@@H](NC2(c3ccccc3)CCCCCC2)CC[NH2+]1 ZINC001246192865 1058734109 /nfs/dbraw/zinc/73/41/09/1058734109.db2.gz CWIKEJLBRSLFFU-SFHVURJKSA-N 1 3 300.490 4.356 20 0 DIADHO CC1(C)C[C@@H]([NH2+]C2(c3ccccc3)CCCCCC2)CCN1 ZINC001246192865 1058734124 /nfs/dbraw/zinc/73/41/24/1058734124.db2.gz CWIKEJLBRSLFFU-SFHVURJKSA-N 1 3 300.490 4.356 20 0 DIADHO CC[C@@H]1C[C@H](NC2(c3ccccc3)CCCCCC2)CC[NH2+]1 ZINC001246192832 1058734940 /nfs/dbraw/zinc/73/49/40/1058734940.db2.gz COJKXYABEUPWMT-RTBURBONSA-N 1 3 300.490 4.356 20 0 DIADHO C[C@@H]1C[C@@H](NC2(c3ccccc3)CCCCCC2)C[C@H](C)[NH2+]1 ZINC001246193480 1058735316 /nfs/dbraw/zinc/73/53/16/1058735316.db2.gz FSGHKSFCZGBJGO-IZZQQSIFSA-N 1 3 300.490 4.355 20 0 DIADHO C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3)CCCCCC2)C[C@H](C)N1 ZINC001246193480 1058735335 /nfs/dbraw/zinc/73/53/35/1058735335.db2.gz FSGHKSFCZGBJGO-IZZQQSIFSA-N 1 3 300.490 4.355 20 0 DIADHO CC(C)[C@H]1C[C@H](NC2(c3ccccc3)CCCCC2)CC[NH2+]1 ZINC001246226818 1058750578 /nfs/dbraw/zinc/75/05/78/1058750578.db2.gz BWKBHARNWHDRQG-RTBURBONSA-N 1 3 300.490 4.212 20 0 DIADHO CC[C@H](N[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccc(C)cc1 ZINC001246230975 1058753293 /nfs/dbraw/zinc/75/32/93/1058753293.db2.gz BZTBFZPVBCBYDB-FSSWDIPSSA-N 1 3 322.496 4.399 20 0 DIADHO CC[C@H]([NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1)c1ccc(C)cc1 ZINC001246230975 1058753308 /nfs/dbraw/zinc/75/33/08/1058753308.db2.gz BZTBFZPVBCBYDB-FSSWDIPSSA-N 1 3 322.496 4.399 20 0 DIADHO CCCC[C@H]1C[C@@H](NCCc2ccc3ccccc3c2)CC[NH2+]1 ZINC001246236699 1058760594 /nfs/dbraw/zinc/76/05/94/1058760594.db2.gz YBOJAWPQXOOGRM-SFTDATJTSA-N 1 3 310.485 4.283 20 0 DIADHO CCCC[C@@H]1C[C@@H](NCCc2ccc3ccccc3c2)CC[NH2+]1 ZINC001246236698 1058761525 /nfs/dbraw/zinc/76/15/25/1058761525.db2.gz YBOJAWPQXOOGRM-RTWAWAEBSA-N 1 3 310.485 4.283 20 0 DIADHO CC(C)(C)[C@H]1C[C@H](NCC2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246238356 1058761655 /nfs/dbraw/zinc/76/16/55/1058761655.db2.gz LMIBXTZBZRQYJP-IAGOWNOFSA-N 1 3 320.908 4.128 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+]CCCc2cccc(Cl)c2)CCN1 ZINC001246254894 1058773723 /nfs/dbraw/zinc/77/37/23/1058773723.db2.gz AJUUIWUONPJRAW-QZTJIDSGSA-N 1 3 308.897 4.173 20 0 DIADHO CC[C@H]1C[C@H]([NH2+]CCCc2ccc(Cl)cc2Cl)CCN1 ZINC001246254415 1058774475 /nfs/dbraw/zinc/77/44/75/1058774475.db2.gz HBDBLXLBECRYLY-LSDHHAIUSA-N 1 3 315.288 4.046 20 0 DIADHO CC1(C)C[C@H]([NH2+]CCCc2ccc(Cl)cc2Cl)CCN1 ZINC001246257440 1058776839 /nfs/dbraw/zinc/77/68/39/1058776839.db2.gz WHSHEXAOAGPXSG-CQSZACIVSA-N 1 3 315.288 4.046 20 0 DIADHO CC(C)[C@@H]1C[C@H](N[C@H](c2ccccc2)C2CCCC2)CC[NH2+]1 ZINC001246268101 1058783720 /nfs/dbraw/zinc/78/37/20/1058783720.db2.gz HUMPCCOHOFWEBK-HSALFYBXSA-N 1 3 300.490 4.284 20 0 DIADHO c1oc2ccccc2c1CCN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246267536 1058784208 /nfs/dbraw/zinc/78/42/08/1058784208.db2.gz YSUKSFYMRRNWRC-KRWDZBQOSA-N 1 3 312.457 4.020 20 0 DIADHO C[C@@H](Cc1ccc(Cl)cc1Cl)NCC1([NH3+])CCCCC1 ZINC001246280333 1058795291 /nfs/dbraw/zinc/79/52/91/1058795291.db2.gz SZCHMYFGASGKJB-LBPRGKRZSA-N 1 3 315.288 4.176 20 0 DIADHO CC[C@@H]1C[C@@H](N[C@H](c2ccccc2)C2CCC2)C[C@H](CC)[NH2+]1 ZINC001246286954 1058804216 /nfs/dbraw/zinc/80/42/16/1058804216.db2.gz IWZZMRXNSKHALX-IYWMVGAKSA-N 1 3 300.490 4.427 20 0 DIADHO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246298216 1058811310 /nfs/dbraw/zinc/81/13/10/1058811310.db2.gz UPJKFQLTEJRMHI-DUXKGJEZSA-N 1 3 308.469 4.009 20 0 DIADHO Cc1ccc([C@H](C)[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)cc1C ZINC001246308733 1058815053 /nfs/dbraw/zinc/81/50/53/1058815053.db2.gz RWNGZAIDWDFEDQ-YUXAGFNASA-N 1 3 322.496 4.317 20 0 DIADHO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1C ZINC001246308731 1058815777 /nfs/dbraw/zinc/81/57/77/1058815777.db2.gz RWNGZAIDWDFEDQ-VLCRHTCISA-N 1 3 322.496 4.317 20 0 DIADHO CC(C)(Cc1ccccc1F)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246308009 1058816145 /nfs/dbraw/zinc/81/61/45/1058816145.db2.gz INTSAJPAYMUNBS-KRWDZBQOSA-N 1 3 318.480 4.191 20 0 DIADHO CC[C@@H](N[C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccc(OC)c1 ZINC001246310950 1058821355 /nfs/dbraw/zinc/82/13/55/1058821355.db2.gz AQANMXPWTUPQGX-TYPHKJRUSA-N 1 3 324.468 4.229 20 0 DIADHO CCCC[C@H]1C[C@@H](NC(C)(C)Cc2ccccc2F)CC[NH2+]1 ZINC001246311777 1058821923 /nfs/dbraw/zinc/82/19/23/1058821923.db2.gz SUGXKGJIXWJNCA-IRXDYDNUSA-N 1 3 306.469 4.047 20 0 DIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)N[C@H]1CCC[NH2+][C@@H]1C ZINC001246325233 1058837806 /nfs/dbraw/zinc/83/78/06/1058837806.db2.gz ITWFCPKBJQSBDW-OZVIIMIRSA-N 1 3 315.288 4.045 20 0 DIADHO CCCC[C@@H](CC)NC1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001246336892 1058846042 /nfs/dbraw/zinc/84/60/42/1058846042.db2.gz PBZDKCPKVVSNND-QGZVFWFLSA-N 1 3 308.897 4.477 20 0 DIADHO CCCCC[C@H](CCC)[NH2+]C[C@H]1CCN[C@@H]1c1cccnc1 ZINC001246342131 1058851655 /nfs/dbraw/zinc/85/16/55/1058851655.db2.gz QZNINYGGHODENR-CEXWTWQISA-N 1 3 303.494 4.071 20 0 DIADHO CC(C)(N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC001246349706 1058860251 /nfs/dbraw/zinc/86/02/51/1058860251.db2.gz NYOYWEOCMOCUCK-MOPGFXCFSA-N 1 3 312.432 4.144 20 0 DIADHO CCCCCC[C@H](CC)[NH2+]C1(Cc2ccccn2)CCNCC1 ZINC001246372350 1058878222 /nfs/dbraw/zinc/87/82/22/1058878222.db2.gz QVOSLRYCXGWTJF-SFHVURJKSA-N 1 3 317.521 4.085 20 0 DIADHO CCCCCC[C@H](C)[NH2+]C1(c2ccccc2OC)CCNCC1 ZINC001246375706 1058882164 /nfs/dbraw/zinc/88/21/64/1058882164.db2.gz JISDKPDMUWGKOV-KRWDZBQOSA-N 1 3 318.505 4.222 20 0 DIADHO CCCCC[C@H](C)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246380420 1058883384 /nfs/dbraw/zinc/88/33/84/1058883384.db2.gz HATCQKKVXAAUKJ-INIZCTEOSA-N 1 3 306.469 4.049 20 0 DIADHO CCCCCC[C@@H](C)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246380972 1058885433 /nfs/dbraw/zinc/88/54/33/1058885433.db2.gz LRGFLBLSXOXPPL-QGZVFWFLSA-N 1 3 320.496 4.439 20 0 DIADHO CCCC[C@@H](C)[NH2+]C1(Cc2ccccc2Cl)CCNCC1 ZINC001246384801 1058886822 /nfs/dbraw/zinc/88/68/22/1058886822.db2.gz CAKJVBQALBFILG-OAHLLOKOSA-N 1 3 308.897 4.173 20 0 DIADHO CC[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)C1 ZINC001246384712 1058888045 /nfs/dbraw/zinc/88/80/45/1058888045.db2.gz AGVDOBKOOFXJDS-CRAIPNDOSA-N 1 3 320.908 4.173 20 0 DIADHO CC[C@@H](CC(C)C)[NH2+]C1(Cc2ccccc2Cl)CCNCC1 ZINC001246381867 1058889944 /nfs/dbraw/zinc/88/99/44/1058889944.db2.gz SVXBKDSPPKWWJY-KRWDZBQOSA-N 1 3 322.924 4.419 20 0 DIADHO CCCC[C@@H](C)[NH2+]C1(Cc2ccc(Cl)cc2)CCNCC1 ZINC001246385765 1058890024 /nfs/dbraw/zinc/89/00/24/1058890024.db2.gz DSRZFEWFYNIZCQ-OAHLLOKOSA-N 1 3 308.897 4.173 20 0 DIADHO Cc1cccc(C(C)(C)[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)c1 ZINC001246388910 1058892265 /nfs/dbraw/zinc/89/22/65/1058892265.db2.gz NOIZFAIAALAWHR-RTWAWAEBSA-N 1 3 322.496 4.183 20 0 DIADHO C[C@@H]1CCC[C@H]([NH2+]C2(Cc3ccc(Cl)cc3)CCNCC2)C1 ZINC001246388744 1058893359 /nfs/dbraw/zinc/89/33/59/1058893359.db2.gz GMSSVOZJNBTHJF-QAPCUYQASA-N 1 3 320.908 4.173 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH2+]CC(C)(C)Cc2ccc(C)cc2)CCN1 ZINC001246386107 1058894498 /nfs/dbraw/zinc/89/44/98/1058894498.db2.gz DVPRMOYTKKXLQC-PMACEKPBSA-N 1 3 316.533 4.464 20 0 DIADHO CC[C@@H]1C[C@H](NC2(Cc3ccc(F)cc3)CCC2)C[C@H](CC)[NH2+]1 ZINC001246388459 1058894778 /nfs/dbraw/zinc/89/47/78/1058894778.db2.gz HOOVDFWSCVHWGZ-BWTSREIZSA-N 1 3 318.480 4.190 20 0 DIADHO CC(C)(C)[C@H]1C[C@@H](NC2(Cc3cccc(F)c3)CCC2)CC[NH2+]1 ZINC001246395343 1058901686 /nfs/dbraw/zinc/90/16/86/1058901686.db2.gz VELCFMQPIDEXFY-ZWKOTPCHSA-N 1 3 318.480 4.047 20 0 DIADHO CC1(C)C[C@@H](NC2(c3ccccc3)CCC(F)(F)CC2)CC[NH2+]1 ZINC001246398595 1058901730 /nfs/dbraw/zinc/90/17/30/1058901730.db2.gz FEFYMJTVOQBGEJ-INIZCTEOSA-N 1 3 322.443 4.211 20 0 DIADHO CC[C@@H]1C[C@@H]([NH2+]C2(CC3CCC3)CCC(F)(F)CC2)CCN1 ZINC001246404002 1058908915 /nfs/dbraw/zinc/90/89/15/1058908915.db2.gz GXSPKFXSIJHHQC-CVEARBPZSA-N 1 3 314.464 4.245 20 0 DIADHO Cc1cccc(C2(N[C@@H]3CCC[NH2+]CC3)CCC(F)(F)CC2)c1 ZINC001246409919 1058912382 /nfs/dbraw/zinc/91/23/82/1058912382.db2.gz UZTGNWXFXRUEGQ-QGZVFWFLSA-N 1 3 322.443 4.131 20 0 DIADHO CCCC[C@H]1C[C@@H]([NH2+]CC2(C)CCC(F)(F)CC2)CCN1 ZINC001246425301 1058917526 /nfs/dbraw/zinc/91/75/26/1058917526.db2.gz ACDBKUHKBBFNAC-GJZGRUSLSA-N 1 3 302.453 4.102 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+]CC2(C)CCC(F)(F)CC2)CCN1 ZINC001246425305 1058919120 /nfs/dbraw/zinc/91/91/20/1058919120.db2.gz ACDBKUHKBBFNAC-HUUCEWRRSA-N 1 3 302.453 4.102 20 0 DIADHO CC[C@H](C)C[C@H](CC)[NH2+]C1(c2ccccc2F)CCNCC1 ZINC001246427659 1058923881 /nfs/dbraw/zinc/92/38/81/1058923881.db2.gz FJBDATRSOKMUSK-HOTGVXAUSA-N 1 3 306.469 4.209 20 0 DIADHO CC[C@@H]1C[C@@H](NC2(Cc3ccccc3F)CCC2)C[C@H](CC)[NH2+]1 ZINC001246433896 1058927109 /nfs/dbraw/zinc/92/71/09/1058927109.db2.gz KTBBOSBTYCHPCQ-BCDXTJNWSA-N 1 3 318.480 4.190 20 0 DIADHO CCCC1CCC(NC2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC001246431972 1058927724 /nfs/dbraw/zinc/92/77/24/1058927724.db2.gz UPJWBXSLRBJFLX-UHFFFAOYSA-N 1 3 300.490 4.214 20 0 DIADHO CCCC[C@@H](CC)NC1(c2cccc(Cl)c2)CC[NH2+]CC1 ZINC001246432317 1058928466 /nfs/dbraw/zinc/92/84/66/1058928466.db2.gz WZDOKBUCPRAVCX-QGZVFWFLSA-N 1 3 308.897 4.477 20 0 DIADHO CCCC[C@H]1C[C@H]([NH2+]CC(C)(C)Cc2ccccc2C)CCN1 ZINC001246435448 1058931909 /nfs/dbraw/zinc/93/19/09/1058931909.db2.gz QPKJADORHXWZIH-VQTJNVASSA-N 1 3 316.533 4.464 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+]CC2(Cc3cccc(F)c3)CC2)CCN1 ZINC001246439272 1058932999 /nfs/dbraw/zinc/93/29/99/1058932999.db2.gz NXUZRKPGZMBHHT-RTBURBONSA-N 1 3 318.480 4.049 20 0 DIADHO CCCCCC[C@@H](C)[NH2+]C1(c2ccccc2F)CCNCC1 ZINC001246439321 1058935417 /nfs/dbraw/zinc/93/54/17/1058935417.db2.gz XJNLUHWBMKDFPV-MRXNPFEDSA-N 1 3 306.469 4.353 20 0 DIADHO CCCCC[C@H](C)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246452397 1058939916 /nfs/dbraw/zinc/93/99/16/1058939916.db2.gz FBYJRUVFPXPUDC-INIZCTEOSA-N 1 3 306.469 4.049 20 0 DIADHO CC(C)CCC[C@@H](C)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246452385 1058942207 /nfs/dbraw/zinc/94/22/07/1058942207.db2.gz DZSDCOODEIDTFA-GOSISDBHSA-N 1 3 302.506 4.156 20 0 DIADHO CC(C)=CCC[C@H](C)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246455160 1058942387 /nfs/dbraw/zinc/94/23/87/1058942387.db2.gz GWQCIYHJJQCBKE-KRWDZBQOSA-N 1 3 318.480 4.215 20 0 DIADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCN1 ZINC001246460239 1058945868 /nfs/dbraw/zinc/94/58/68/1058945868.db2.gz DUVQBSOUIABMQE-OKYOBFRVSA-N 1 3 300.490 4.079 20 0 DIADHO CCCC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCN1 ZINC001246460690 1058950322 /nfs/dbraw/zinc/95/03/22/1058950322.db2.gz HKUBGIUHFVWGAF-YSTOQKLRSA-N 1 3 300.490 4.223 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001246466904 1058954688 /nfs/dbraw/zinc/95/46/88/1058954688.db2.gz XOCISSKJLSTDBP-NBHGPNQESA-N 1 3 308.469 4.067 20 0 DIADHO C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@H]1C[C@@](C)(N)C1 ZINC001246466904 1058954702 /nfs/dbraw/zinc/95/47/02/1058954702.db2.gz XOCISSKJLSTDBP-NBHGPNQESA-N 1 3 308.469 4.067 20 0 DIADHO Cc1cccc([C@H](N[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)C(C)C)c1 ZINC001246474118 1058960059 /nfs/dbraw/zinc/96/00/59/1058960059.db2.gz KZWWVAITOSZTHC-GBESFXJTSA-N 1 3 302.506 4.448 20 0 DIADHO CCCC(C[NH3+])(CCC)N[C@@H](C)CSc1ccc(C)cc1 ZINC001246496516 1058969561 /nfs/dbraw/zinc/96/95/61/1058969561.db2.gz OOLRCVIKGGQMEJ-INIZCTEOSA-N 1 3 308.535 4.363 20 0 DIADHO CCCC[C@@H]1C[C@@H](N[C@@H]2CCCCc3ccccc32)CC[NH2+]1 ZINC001246499464 1058975759 /nfs/dbraw/zinc/97/57/59/1058975759.db2.gz YWKZOPPYTIVIQZ-WSTZPKSXSA-N 1 3 300.490 4.355 20 0 DIADHO C[C@@H](Cc1ccccc1Cl)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246510331 1058977570 /nfs/dbraw/zinc/97/75/70/1058977570.db2.gz HADOUNOVJCBRMA-RDJZCZTQSA-N 1 3 320.908 4.316 20 0 DIADHO C[C@@H](Cc1ccccc1Cl)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246510329 1058978572 /nfs/dbraw/zinc/97/85/72/1058978572.db2.gz HADOUNOVJCBRMA-DOTOQJQBSA-N 1 3 320.908 4.316 20 0 DIADHO C[C@@H]1C[C@H]([NH2+]CCc2ccc(/C=C/c3ccccc3)cc2)CCN1 ZINC001246508890 1058979647 /nfs/dbraw/zinc/97/96/47/1058979647.db2.gz DCXCUKHQDXMGFG-VIXOANNKSA-N 1 3 320.480 4.130 20 0 DIADHO CC(C)N(Cc1ccccc1)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246521811 1058982316 /nfs/dbraw/zinc/98/23/16/1058982316.db2.gz RMFVKNBGMGPBAB-LJQANCHMSA-N 1 3 300.490 4.352 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2c2cccc(C)c2)CCN1 ZINC001246542656 1058993407 /nfs/dbraw/zinc/99/34/07/1058993407.db2.gz WRIFSFWBDJCMJC-AQNXPRMDSA-N 1 3 300.490 4.443 20 0 DIADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2cccc(C)c2)CCN1 ZINC001246542656 1058993433 /nfs/dbraw/zinc/99/34/33/1058993433.db2.gz WRIFSFWBDJCMJC-AQNXPRMDSA-N 1 3 300.490 4.443 20 0 DIADHO N[C@H]1CCC[N@@H+](C2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC001246548166 1059000000 /nfs/dbraw/zinc/00/00/00/1059000000.db2.gz RTAFJLOBYMWUMQ-NXYGQSRBSA-N 1 3 306.881 4.179 20 0 DIADHO N[C@H]1CCC[N@H+](C2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC001246548166 1059000019 /nfs/dbraw/zinc/00/00/19/1059000019.db2.gz RTAFJLOBYMWUMQ-NXYGQSRBSA-N 1 3 306.881 4.179 20 0 DIADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)N1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246549198 1059000884 /nfs/dbraw/zinc/00/08/84/1059000884.db2.gz VMARJHBAXOOYCV-OBJOEFQTSA-N 1 3 315.288 4.126 20 0 DIADHO C[C@@H](CC(C)(C)SCc1ccco1)N1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246563092 1059005407 /nfs/dbraw/zinc/00/54/07/1059005407.db2.gz BEMYKODRPRDPIK-OWCLPIDISA-N 1 3 324.534 4.129 20 0 DIADHO Clc1cccc(C2CC[NH+]([C@H]3CCNC4(CCC4)C3)CC2)c1 ZINC001246596327 1059016199 /nfs/dbraw/zinc/01/61/99/1059016199.db2.gz PMZPQPFBSKZFLM-SFHVURJKSA-N 1 3 318.892 4.194 20 0 DIADHO Clc1cccc(C2CCN([C@H]3CC[NH2+]C4(CCC4)C3)CC2)c1 ZINC001246596327 1059016220 /nfs/dbraw/zinc/01/62/20/1059016220.db2.gz PMZPQPFBSKZFLM-SFHVURJKSA-N 1 3 318.892 4.194 20 0 DIADHO C[C@@H]1CC([NH+]2CCC(c3cccc(Cl)c3)CC2)C[C@@H](C)N1 ZINC001246592830 1059018012 /nfs/dbraw/zinc/01/80/12/1059018012.db2.gz HGTAUZDOHZEGLI-ZIAGYGMSSA-N 1 3 306.881 4.048 20 0 DIADHO C[C@@H]1CC(N2CCC(c3cccc(Cl)c3)CC2)C[C@@H](C)[NH2+]1 ZINC001246592830 1059018036 /nfs/dbraw/zinc/01/80/36/1059018036.db2.gz HGTAUZDOHZEGLI-ZIAGYGMSSA-N 1 3 306.881 4.048 20 0 DIADHO C[C@H]1CC([NH+]2CCC(Cc3cccc(Cl)c3)CC2)C[C@H](C)N1 ZINC001246596519 1059018224 /nfs/dbraw/zinc/01/82/24/1059018224.db2.gz JJOHFDCEXPPGQJ-GJZGRUSLSA-N 1 3 320.908 4.124 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246612324 1059025080 /nfs/dbraw/zinc/02/50/80/1059025080.db2.gz VPFGORKOLUPMEO-PXNSSMCTSA-N 1 3 318.480 4.003 20 0 DIADHO C[C@@H](Cc1cccc(F)c1)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246612320 1059027315 /nfs/dbraw/zinc/02/73/15/1059027315.db2.gz VPFGORKOLUPMEO-FXAWDEMLSA-N 1 3 318.480 4.003 20 0 DIADHO c1ccc2c(c1)CCCC21CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246618651 1059033374 /nfs/dbraw/zinc/03/33/74/1059033374.db2.gz IIMUPESHSLJDOT-ACDBMABISA-N 1 3 324.512 4.030 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC001246619855 1059034111 /nfs/dbraw/zinc/03/41/11/1059034111.db2.gz JAAPAMDEOFYISC-PMACEKPBSA-N 1 3 300.490 4.006 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@]2(C1)CCCCN2 ZINC001246619855 1059034132 /nfs/dbraw/zinc/03/41/32/1059034132.db2.gz JAAPAMDEOFYISC-PMACEKPBSA-N 1 3 300.490 4.006 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)[N@@H+]1CCCC12CCNCC2 ZINC001246648715 1059047897 /nfs/dbraw/zinc/04/78/97/1059047897.db2.gz ZAJGVYACEQFURT-IBGZPJMESA-N 1 3 300.490 4.006 20 0 DIADHO CCCC[C@@H](Cc1ccccc1)[N@H+]1CCCC12CCNCC2 ZINC001246648715 1059047918 /nfs/dbraw/zinc/04/79/18/1059047918.db2.gz ZAJGVYACEQFURT-IBGZPJMESA-N 1 3 300.490 4.006 20 0 DIADHO C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CCCC12CCNCC2 ZINC001246644545 1059048485 /nfs/dbraw/zinc/04/84/85/1059048485.db2.gz KLQQPANXICVUPA-AWEZNQCLSA-N 1 3 324.921 4.039 20 0 DIADHO C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CCCC12CCNCC2 ZINC001246644545 1059048510 /nfs/dbraw/zinc/04/85/10/1059048510.db2.gz KLQQPANXICVUPA-AWEZNQCLSA-N 1 3 324.921 4.039 20 0 DIADHO C[C@@H](CSc1ccc(Cl)cc1)N1CCCC12CC[NH2+]CC2 ZINC001246644545 1059048533 /nfs/dbraw/zinc/04/85/33/1059048533.db2.gz KLQQPANXICVUPA-AWEZNQCLSA-N 1 3 324.921 4.039 20 0 DIADHO c1ccc([C@H]2CCC[C@H]([N@H+]3CCCCC34CCNCC4)C2)cc1 ZINC001246648469 1059049259 /nfs/dbraw/zinc/04/92/59/1059049259.db2.gz PVGVDGFFTPNEKC-PMACEKPBSA-N 1 3 312.501 4.321 20 0 DIADHO c1ccc([C@H]2CCC[C@H]([N@@H+]3CCCCC34CCNCC4)C2)cc1 ZINC001246648469 1059049282 /nfs/dbraw/zinc/04/92/82/1059049282.db2.gz PVGVDGFFTPNEKC-PMACEKPBSA-N 1 3 312.501 4.321 20 0 DIADHO c1ccc([C@H]2CCC[C@@H]([N@H+]3CCCCC34CCNCC4)C2)cc1 ZINC001246648472 1059050679 /nfs/dbraw/zinc/05/06/79/1059050679.db2.gz PVGVDGFFTPNEKC-VQTJNVASSA-N 1 3 312.501 4.321 20 0 DIADHO c1ccc([C@H]2CCC[C@@H]([N@@H+]3CCCCC34CCNCC4)C2)cc1 ZINC001246648472 1059050699 /nfs/dbraw/zinc/05/06/99/1059050699.db2.gz PVGVDGFFTPNEKC-VQTJNVASSA-N 1 3 312.501 4.321 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[N@@H+]1CCCCC12CCNCC2 ZINC001246645433 1059050869 /nfs/dbraw/zinc/05/08/69/1059050869.db2.gz AKOJMUPDFJCSFH-FQEVSTJZSA-N 1 3 314.517 4.396 20 0 DIADHO CCC[C@@H](CCc1ccccc1)[N@H+]1CCCCC12CCNCC2 ZINC001246645433 1059050891 /nfs/dbraw/zinc/05/08/91/1059050891.db2.gz AKOJMUPDFJCSFH-FQEVSTJZSA-N 1 3 314.517 4.396 20 0 DIADHO c1ccc(C2CCC([N@H+]3CCCC[C@@]34CCCNC4)CC2)cc1 ZINC001246653430 1059054860 /nfs/dbraw/zinc/05/48/60/1059054860.db2.gz SXJAFSANYOISDV-CBNMVNINSA-N 1 3 312.501 4.321 20 0 DIADHO c1ccc(C2CCC([N@@H+]3CCCC[C@@]34CCCNC4)CC2)cc1 ZINC001246653430 1059054883 /nfs/dbraw/zinc/05/48/83/1059054883.db2.gz SXJAFSANYOISDV-CBNMVNINSA-N 1 3 312.501 4.321 20 0 DIADHO c1ccc(C2CCC(N3CCCC[C@@]34CCC[NH2+]C4)CC2)cc1 ZINC001246653430 1059054903 /nfs/dbraw/zinc/05/49/03/1059054903.db2.gz SXJAFSANYOISDV-CBNMVNINSA-N 1 3 312.501 4.321 20 0 DIADHO CC(C)CC[C@H](C)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246675158 1059057298 /nfs/dbraw/zinc/05/72/98/1059057298.db2.gz WHBXALSBHSFGON-SESVDKBCSA-N 1 3 314.517 4.064 20 0 DIADHO CC(C)CC[C@H](C)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246675158 1059057324 /nfs/dbraw/zinc/05/73/24/1059057324.db2.gz WHBXALSBHSFGON-SESVDKBCSA-N 1 3 314.517 4.064 20 0 DIADHO CC(C)CC[C@H](C)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246675160 1059058595 /nfs/dbraw/zinc/05/85/95/1059058595.db2.gz WHBXALSBHSFGON-TYPHKJRUSA-N 1 3 314.517 4.064 20 0 DIADHO CC(C)CC[C@H](C)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246675160 1059058616 /nfs/dbraw/zinc/05/86/16/1059058616.db2.gz WHBXALSBHSFGON-TYPHKJRUSA-N 1 3 314.517 4.064 20 0 DIADHO C[C@H]1CC(N2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)C[C@H](C)C1 ZINC001246678482 1059063937 /nfs/dbraw/zinc/06/39/37/1059063937.db2.gz XLZJLERSDNKNKI-DEPWHIHDSA-N 1 3 312.501 4.033 20 0 DIADHO c1ccc(CCC2CC[NH+]([C@H]3CCNC4(CCC4)C3)CC2)cc1 ZINC001246774288 1059074066 /nfs/dbraw/zinc/07/40/66/1059074066.db2.gz FXJBUFKGMLGGEW-FQEVSTJZSA-N 1 3 312.501 4.006 20 0 DIADHO CN(Cc1cccc2ccccc21)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246775577 1059076263 /nfs/dbraw/zinc/07/62/63/1059076263.db2.gz IXRVZEILBJHBDC-ICSRJNTNSA-N 1 3 310.485 4.438 20 0 DIADHO CCCC[C@H]1C[C@@H]([N@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246782849 1059076952 /nfs/dbraw/zinc/07/69/52/1059076952.db2.gz LLOMSJNWMOLBAO-FRQUTVOGSA-N 1 3 304.522 4.198 20 0 DIADHO CCCC[C@H]1C[C@@H]([N@@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246782849 1059076967 /nfs/dbraw/zinc/07/69/67/1059076967.db2.gz LLOMSJNWMOLBAO-FRQUTVOGSA-N 1 3 304.522 4.198 20 0 DIADHO Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CCN[C@@H](C(C)(C)C)C2)cc1 ZINC001246779652 1059079165 /nfs/dbraw/zinc/07/91/65/1059079165.db2.gz IFZBDLHRLMGMMV-CEXWTWQISA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCN[C@@H](C(C)(C)C)C2)cc1 ZINC001246779652 1059079187 /nfs/dbraw/zinc/07/91/87/1059079187.db2.gz IFZBDLHRLMGMMV-CEXWTWQISA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CCN[C@H](C(C)(C)C)C2)cc1 ZINC001246779656 1059081953 /nfs/dbraw/zinc/08/19/53/1059081953.db2.gz IFZBDLHRLMGMMV-QYZOEREBSA-N 1 3 300.490 4.299 20 0 DIADHO Cc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCN[C@H](C(C)(C)C)C2)cc1 ZINC001246779656 1059081972 /nfs/dbraw/zinc/08/19/72/1059081972.db2.gz IFZBDLHRLMGMMV-QYZOEREBSA-N 1 3 300.490 4.299 20 0 DIADHO CC[C@@H]1C[C@H](N2CCC(c3ccc(F)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246785078 1059085925 /nfs/dbraw/zinc/08/59/25/1059085925.db2.gz JUDYLBUKTXQPMB-PMOLBWCYSA-N 1 3 318.480 4.314 20 0 DIADHO C[N@H+]([C@@H]1CCN[C@H](C(C)(C)C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246783593 1059088246 /nfs/dbraw/zinc/08/82/46/1059088246.db2.gz PKALHRVIAYPQLS-KQCPESONSA-N 1 3 304.522 4.054 20 0 DIADHO C[N@@H+]([C@@H]1CCN[C@H](C(C)(C)C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246783593 1059088269 /nfs/dbraw/zinc/08/82/69/1059088269.db2.gz PKALHRVIAYPQLS-KQCPESONSA-N 1 3 304.522 4.054 20 0 DIADHO C[C@@H]1C[C@H]([NH+]2CCC(c3ccc4ccccc4c3)CC2)CCN1 ZINC001246794484 1059095943 /nfs/dbraw/zinc/09/59/43/1059095943.db2.gz ZYKVMETVZZDJJD-IIBYNOLFSA-N 1 3 308.469 4.160 20 0 DIADHO C[C@@H]1C[C@H](N2CCC(c3ccc4ccccc4c3)CC2)CC[NH2+]1 ZINC001246794484 1059095968 /nfs/dbraw/zinc/09/59/68/1059095968.db2.gz ZYKVMETVZZDJJD-IIBYNOLFSA-N 1 3 308.469 4.160 20 0 DIADHO C[NH2+]C1CCN([C@@H](C)CC(c2ccccc2)c2ccccc2)CC1 ZINC001246807869 1059105441 /nfs/dbraw/zinc/10/54/41/1059105441.db2.gz ULDOXLUBBZOIGK-SFHVURJKSA-N 1 3 322.496 4.281 20 0 DIADHO CC[C@@H]1C[C@H](N(C)CCc2ccc(Cl)cc2)C[C@H](CC)[NH2+]1 ZINC001246813008 1059105478 /nfs/dbraw/zinc/10/54/78/1059105478.db2.gz HHXBBJHDGRHOPN-PIIMJCKOSA-N 1 3 308.897 4.124 20 0 DIADHO CN(CCc1ccc(Cl)cc1)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246815608 1059110810 /nfs/dbraw/zinc/11/08/10/1059110810.db2.gz ZGGRSXCVAWDXFG-SFHVURJKSA-N 1 3 320.908 4.269 20 0 DIADHO CCN(Cc1cccc(OC)c1)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246838712 1059119538 /nfs/dbraw/zinc/11/95/38/1059119538.db2.gz FEPATKHOFDXSJJ-FPOVZHCZSA-N 1 3 324.468 4.010 20 0 DIADHO CCN(Cc1ccc(F)cc1)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246838433 1059119789 /nfs/dbraw/zinc/11/97/89/1059119789.db2.gz BVVNIHKRNGXUQX-UXHICEINSA-N 1 3 312.432 4.141 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[N@H+](C)C[C@H]1CCCNC1 ZINC001246843739 1059124116 /nfs/dbraw/zinc/12/41/16/1059124116.db2.gz WALIRTNYZXJHEG-CVEARBPZSA-N 1 3 324.534 4.001 20 0 DIADHO C[C@H](CC(C)(C)SCc1ccco1)[N@@H+](C)C[C@H]1CCCNC1 ZINC001246843739 1059124127 /nfs/dbraw/zinc/12/41/27/1059124127.db2.gz WALIRTNYZXJHEG-CVEARBPZSA-N 1 3 324.534 4.001 20 0 DIADHO CC[C@@H]1C[C@@H](N2CCC[C@H]2c2cccc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246849073 1059127087 /nfs/dbraw/zinc/12/70/87/1059127087.db2.gz PWPZPQYHOTWWDS-DMUMMCEESA-N 1 3 316.489 4.141 20 0 DIADHO C[C@H](CC(c1ccccc1)c1ccccc1)N1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246849758 1059128848 /nfs/dbraw/zinc/12/88/48/1059128848.db2.gz AYKCAYNDOYBYIO-AGHHOFFYSA-N 1 3 320.480 4.020 20 0 DIADHO CCCC[C@H]1C[C@H](N2CCC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246865381 1059135557 /nfs/dbraw/zinc/13/55/57/1059135557.db2.gz UHUQBVLVVHTLPQ-SLFFLAALSA-N 1 3 300.490 4.177 20 0 DIADHO CCCC[C@H]1C[C@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246865381 1059135587 /nfs/dbraw/zinc/13/55/87/1059135587.db2.gz UHUQBVLVVHTLPQ-SLFFLAALSA-N 1 3 300.490 4.177 20 0 DIADHO CCCC[C@H]1C[C@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246865381 1059135612 /nfs/dbraw/zinc/13/56/12/1059135612.db2.gz UHUQBVLVVHTLPQ-SLFFLAALSA-N 1 3 300.490 4.177 20 0 DIADHO C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)N2[C@H]1CCC[NH2+]CC1 ZINC001246878887 1059147085 /nfs/dbraw/zinc/14/70/85/1059147085.db2.gz LIUGZFUESQEFDM-WTOYTKOKSA-N 1 3 318.464 4.005 20 0 DIADHO CC[C@@H]1C[C@H](N2CCC[C@@H]2c2ccccc2SC)CC[NH2+]1 ZINC001246886593 1059148193 /nfs/dbraw/zinc/14/81/93/1059148193.db2.gz HOFMHWXSFHSOSQ-BFYDXBDKSA-N 1 3 304.503 4.076 20 0 DIADHO CC[C@@H]1C[C@@H](N2CCC[C@H]2c2ccccc2SC)CC[NH2+]1 ZINC001246886625 1059150536 /nfs/dbraw/zinc/15/05/36/1059150536.db2.gz HOFMHWXSFHSOSQ-VYDXJSESSA-N 1 3 304.503 4.076 20 0 DIADHO CC[NH+](CC)CC[C@@H](C)N1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001246902467 1059162876 /nfs/dbraw/zinc/16/28/76/1059162876.db2.gz RPMKOGNBHBIZKT-UZLBHIALSA-N 1 3 313.489 4.425 20 0 DIADHO CCN(CC)CC[C@@H](C)[N@@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001246902467 1059162878 /nfs/dbraw/zinc/16/28/78/1059162878.db2.gz RPMKOGNBHBIZKT-UZLBHIALSA-N 1 3 313.489 4.425 20 0 DIADHO CCN(CC)CC[C@@H](C)[N@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001246902467 1059162883 /nfs/dbraw/zinc/16/28/83/1059162883.db2.gz RPMKOGNBHBIZKT-UZLBHIALSA-N 1 3 313.489 4.425 20 0 DIADHO C[C@H](Cc1ccc(F)cc1)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246932813 1059181080 /nfs/dbraw/zinc/18/10/80/1059181080.db2.gz HLDWZDGNGHLCNY-AEFFLSMTSA-N 1 3 318.480 4.001 20 0 DIADHO C[C@H](Cc1ccc(F)cc1)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246932813 1059181090 /nfs/dbraw/zinc/18/10/90/1059181090.db2.gz HLDWZDGNGHLCNY-AEFFLSMTSA-N 1 3 318.480 4.001 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246932816 1059181557 /nfs/dbraw/zinc/18/15/57/1059181557.db2.gz HLDWZDGNGHLCNY-WMZOPIPTSA-N 1 3 318.480 4.001 20 0 DIADHO C[C@@H](Cc1ccc(F)cc1)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246932816 1059181569 /nfs/dbraw/zinc/18/15/69/1059181569.db2.gz HLDWZDGNGHLCNY-WMZOPIPTSA-N 1 3 318.480 4.001 20 0 DIADHO [NH3+][C@@H]1CCN([C@@H]2CCCC3(CCCCC3)C2)C[C@H]1C(F)(F)F ZINC001246940798 1059184583 /nfs/dbraw/zinc/18/45/83/1059184583.db2.gz VKDQMZGYNJUSRS-RBSFLKMASA-N 1 3 318.427 4.091 20 0 DIADHO C[C@H](Cc1cccc(F)c1)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246937861 1059185391 /nfs/dbraw/zinc/18/53/91/1059185391.db2.gz NDZUPLFFUPKWLG-SJLPKXTDSA-N 1 3 318.480 4.001 20 0 DIADHO C[C@H](Cc1cccc(F)c1)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246937861 1059185409 /nfs/dbraw/zinc/18/54/09/1059185409.db2.gz NDZUPLFFUPKWLG-SJLPKXTDSA-N 1 3 318.480 4.001 20 0 DIADHO CSC(C)(C)C[C@H](C)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246934937 1059185919 /nfs/dbraw/zinc/18/59/19/1059185919.db2.gz DCXXALPSLYGNLR-HOTGVXAUSA-N 1 3 312.567 4.151 20 0 DIADHO CSC(C)(C)C[C@H](C)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246934937 1059185934 /nfs/dbraw/zinc/18/59/34/1059185934.db2.gz DCXXALPSLYGNLR-HOTGVXAUSA-N 1 3 312.567 4.151 20 0 DIADHO Cc1cc(F)cc(C[N@H+](C2CCNCC2)[C@H]2CCC[C@H](C)C2)c1 ZINC001246950704 1059193644 /nfs/dbraw/zinc/19/36/44/1059193644.db2.gz DWBGBKGQTMSJNH-YWZLYKJASA-N 1 3 318.480 4.267 20 0 DIADHO Cc1cc(F)cc(C[N@@H+](C2CCNCC2)[C@H]2CCC[C@H](C)C2)c1 ZINC001246950704 1059193651 /nfs/dbraw/zinc/19/36/51/1059193651.db2.gz DWBGBKGQTMSJNH-YWZLYKJASA-N 1 3 318.480 4.267 20 0 DIADHO CC[C@H]1CC[C@@H]([N@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952442 1059194339 /nfs/dbraw/zinc/19/43/39/1059194339.db2.gz SKYUFOCMNIDOQV-OXJNMPFZSA-N 1 3 318.480 4.267 20 0 DIADHO CC[C@H]1CC[C@@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CCNCC2)C1 ZINC001246952442 1059194355 /nfs/dbraw/zinc/19/43/55/1059194355.db2.gz SKYUFOCMNIDOQV-OXJNMPFZSA-N 1 3 318.480 4.267 20 0 DIADHO Fc1ccc(C[N@H+](C2CCNCC2)C2CCCCCC2)cc1F ZINC001246955097 1059202608 /nfs/dbraw/zinc/20/26/08/1059202608.db2.gz IDQDANNIZRAJHD-UHFFFAOYSA-N 1 3 322.443 4.242 20 0 DIADHO Fc1ccc(C[N@@H+](C2CCNCC2)C2CCCCCC2)cc1F ZINC001246955097 1059202631 /nfs/dbraw/zinc/20/26/31/1059202631.db2.gz IDQDANNIZRAJHD-UHFFFAOYSA-N 1 3 322.443 4.242 20 0 DIADHO Fc1ccc(CN(C2CC[NH2+]CC2)C2CCCCCC2)cc1F ZINC001246955097 1059202652 /nfs/dbraw/zinc/20/26/52/1059202652.db2.gz IDQDANNIZRAJHD-UHFFFAOYSA-N 1 3 322.443 4.242 20 0 DIADHO CC[C@@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246963881 1059204855 /nfs/dbraw/zinc/20/48/55/1059204855.db2.gz ZUQUPPFBABLZIX-UZLBHIALSA-N 1 3 318.480 4.267 20 0 DIADHO CC[C@@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2C)C2CCNCC2)C1 ZINC001246963881 1059204874 /nfs/dbraw/zinc/20/48/74/1059204874.db2.gz ZUQUPPFBABLZIX-UZLBHIALSA-N 1 3 318.480 4.267 20 0 DIADHO CC[C@H]1CC[C@H]([N@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246961464 1059205249 /nfs/dbraw/zinc/20/52/49/1059205249.db2.gz FOCICISDCREXBI-JXFKEZNVSA-N 1 3 318.480 4.267 20 0 DIADHO CC[C@H]1CC[C@H]([N@@H+](Cc2cc(F)ccc2C)C2CCNCC2)C1 ZINC001246961464 1059205269 /nfs/dbraw/zinc/20/52/69/1059205269.db2.gz FOCICISDCREXBI-JXFKEZNVSA-N 1 3 318.480 4.267 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[N@H+](CCC)[C@@H]1CCN[C@H](C)C1 ZINC001246975278 1059216113 /nfs/dbraw/zinc/21/61/13/1059216113.db2.gz BNSDPRXJMGOJIA-YZGWKJHDSA-N 1 3 302.506 4.250 20 0 DIADHO CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)[C@@H]1CCN[C@H](C)C1 ZINC001246975278 1059216129 /nfs/dbraw/zinc/21/61/29/1059216129.db2.gz BNSDPRXJMGOJIA-YZGWKJHDSA-N 1 3 302.506 4.250 20 0 DIADHO C([C@H]1CCCNC1)[N@H+](C1CC1)C1CCC2(CCCCC2)CC1 ZINC001246972057 1059218657 /nfs/dbraw/zinc/21/86/57/1059218657.db2.gz JDMAEFVMQXQWSM-KRWDZBQOSA-N 1 3 304.522 4.344 20 0 DIADHO C([C@H]1CCCNC1)[N@@H+](C1CC1)C1CCC2(CCCCC2)CC1 ZINC001246972057 1059218668 /nfs/dbraw/zinc/21/86/68/1059218668.db2.gz JDMAEFVMQXQWSM-KRWDZBQOSA-N 1 3 304.522 4.344 20 0 DIADHO CCCC[C@H]1C[C@@H]([N@@H+]2CCC[C@@H]2c2ccccc2C)CCN1 ZINC001247002686 1059235578 /nfs/dbraw/zinc/23/55/78/1059235578.db2.gz OBQOWYHEGKSHHT-CMKODMSKSA-N 1 3 300.490 4.443 20 0 DIADHO CCCC[C@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2ccccc2C)CCN1 ZINC001247002686 1059235596 /nfs/dbraw/zinc/23/55/96/1059235596.db2.gz OBQOWYHEGKSHHT-CMKODMSKSA-N 1 3 300.490 4.443 20 0 DIADHO C1=C(CC[N@@H+]2CCCN(CC3CCCCC3)CC2)CCCC1 ZINC001559493306 1059271483 /nfs/dbraw/zinc/27/14/83/1059271483.db2.gz WVONGMONVDZWRQ-UHFFFAOYSA-N 1 3 304.522 4.465 20 0 DIADHO C1=C(CC[N@H+]2CCCN(CC3CCCCC3)CC2)CCCC1 ZINC001559493306 1059271516 /nfs/dbraw/zinc/27/15/16/1059271516.db2.gz WVONGMONVDZWRQ-UHFFFAOYSA-N 1 3 304.522 4.465 20 0 DIADHO CN(Cc1cc(Cl)cc2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC001559557971 1059377204 /nfs/dbraw/zinc/37/72/04/1059377204.db2.gz LGLUHQGDEKJQHI-HNNXBMFYSA-N 1 3 316.876 4.267 20 0 DIADHO CN(Cc1cc(Cl)cc2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC001559557971 1059377225 /nfs/dbraw/zinc/37/72/25/1059377225.db2.gz LGLUHQGDEKJQHI-HNNXBMFYSA-N 1 3 316.876 4.267 20 0 DIADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001559578803 1059412391 /nfs/dbraw/zinc/41/23/91/1059412391.db2.gz SVPCSGJXTYKHIC-SFHLNBCPSA-N 1 3 314.517 4.234 20 0 DIADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001559578803 1059412394 /nfs/dbraw/zinc/41/23/94/1059412394.db2.gz SVPCSGJXTYKHIC-SFHLNBCPSA-N 1 3 314.517 4.234 20 0 DIADHO CCCc1ccc([C@@H]([NH2+]CC[C@H]2CCCN2C)C(C)C)cc1 ZINC001559670012 1059496718 /nfs/dbraw/zinc/49/67/18/1059496718.db2.gz XTBBZRCKNPBGCI-UXHICEINSA-N 1 3 302.506 4.410 20 0 DIADHO CCCc1ccc([C@@H](NCC[C@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC001559670012 1059496724 /nfs/dbraw/zinc/49/67/24/1059496724.db2.gz XTBBZRCKNPBGCI-UXHICEINSA-N 1 3 302.506 4.410 20 0 DIADHO CCCc1ccc([C@@H](NCC[C@H]2CCC[N@H+]2C)C(C)C)cc1 ZINC001559670012 1059496733 /nfs/dbraw/zinc/49/67/33/1059496733.db2.gz XTBBZRCKNPBGCI-UXHICEINSA-N 1 3 302.506 4.410 20 0 DIADHO Cc1c2ccccc2sc1[C@@H](C)[NH2+]CC[C@@H]1CCCN1C ZINC001559729563 1059560779 /nfs/dbraw/zinc/56/07/79/1059560779.db2.gz BKEPHXKFMZZPJC-CABCVRRESA-N 1 3 302.487 4.345 20 0 DIADHO CCN(CC)CCC[N@H+](C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001559911514 1059728179 /nfs/dbraw/zinc/72/81/79/1059728179.db2.gz LTZDQYMPGDUGKC-VQTJNVASSA-N 1 3 302.506 4.377 20 0 DIADHO CCN(CC)CCC[N@@H+](C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001559911514 1059728197 /nfs/dbraw/zinc/72/81/97/1059728197.db2.gz LTZDQYMPGDUGKC-VQTJNVASSA-N 1 3 302.506 4.377 20 0 DIADHO CC1(C)[C@H](c2cccc(F)c2)CCN1CCC[NH+]1CCCCC1 ZINC001560057085 1059865525 /nfs/dbraw/zinc/86/55/25/1059865525.db2.gz FVXHWELEBNSDMR-IBGZPJMESA-N 1 3 318.480 4.270 20 0 DIADHO CC[NH+](CC)CCCN1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001560181250 1059974173 /nfs/dbraw/zinc/97/41/73/1059974173.db2.gz MKSRGCJYTIFXKD-IBGZPJMESA-N 1 3 302.506 4.234 20 0 DIADHO CCN(CC)CCC[N@@H+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001560181250 1059974196 /nfs/dbraw/zinc/97/41/96/1059974196.db2.gz MKSRGCJYTIFXKD-IBGZPJMESA-N 1 3 302.506 4.234 20 0 DIADHO CCN(CC)CCC[N@H+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001560181250 1059974215 /nfs/dbraw/zinc/97/42/15/1059974215.db2.gz MKSRGCJYTIFXKD-IBGZPJMESA-N 1 3 302.506 4.234 20 0 DIADHO Cc1cc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cs1 ZINC001248803866 1059988637 /nfs/dbraw/zinc/98/86/37/1059988637.db2.gz XKCNQLNHUFLRFP-SFHVURJKSA-N 1 3 314.498 4.010 20 0 DIADHO Cc1cc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cs1 ZINC001248803866 1059988655 /nfs/dbraw/zinc/98/86/55/1059988655.db2.gz XKCNQLNHUFLRFP-SFHVURJKSA-N 1 3 314.498 4.010 20 0 DIADHO Cc1ccccc1-c1ccccc1CNCCC[NH+]1CCCC1 ZINC001560252231 1060019753 /nfs/dbraw/zinc/01/97/53/1060019753.db2.gz QCYFDJPIESOVAH-UHFFFAOYSA-N 1 3 308.469 4.238 20 0 DIADHO c1ccc([C@H]2CCCC[C@H]([NH2+]CCCN3CCCC3)C2)cc1 ZINC001560252279 1060019935 /nfs/dbraw/zinc/01/99/35/1060019935.db2.gz SQXBPWJLXVLXDF-PMACEKPBSA-N 1 3 300.490 4.178 20 0 DIADHO CCCN1CC[C@H](C[NH2+]C2CCC(C3CCCCC3)CC2)C1 ZINC001560291110 1060070514 /nfs/dbraw/zinc/07/05/14/1060070514.db2.gz DCURXZXKHOPSKS-QHGAOEGBSA-N 1 3 306.538 4.447 20 0 DIADHO Cc1cc(C)c(/C=C\C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1C ZINC001560357925 1060144755 /nfs/dbraw/zinc/14/47/55/1060144755.db2.gz AVGKAGBSGQNLRI-KGMDJONISA-N 1 3 300.490 4.087 20 0 DIADHO CN1CC2(C1)CC[NH+](Cc1sc(Cl)c3ccccc31)CC2 ZINC001249075683 1060146533 /nfs/dbraw/zinc/14/65/33/1060146533.db2.gz NWJPYCNLLXDZGB-UHFFFAOYSA-N 1 3 320.889 4.082 20 0 DIADHO C[NH+]1CC2(C1)CCN(Cc1sc(Cl)c3ccccc31)CC2 ZINC001249075683 1060146539 /nfs/dbraw/zinc/14/65/39/1060146539.db2.gz NWJPYCNLLXDZGB-UHFFFAOYSA-N 1 3 320.889 4.082 20 0 DIADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(F)c3ccccc23)C[C@H]1C ZINC001560636980 1060451109 /nfs/dbraw/zinc/45/11/09/1060451109.db2.gz REZVSIVURMFBNB-WBVHZDCISA-N 1 3 314.448 4.284 20 0 DIADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(F)c3ccccc23)C[C@H]1C ZINC001560636980 1060451115 /nfs/dbraw/zinc/45/11/15/1060451115.db2.gz REZVSIVURMFBNB-WBVHZDCISA-N 1 3 314.448 4.284 20 0 DIADHO C[C@H](CC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1)N1CCCCC1 ZINC001560751426 1060619115 /nfs/dbraw/zinc/61/91/15/1060619115.db2.gz SGXXBAGAQAIIBW-GIVPXCGWSA-N 1 3 314.517 4.252 20 0 DIADHO Cc1cc(C)c(/C=C\CN2CCCC23CC[NH+](C)CC3)cc1C ZINC001560757899 1060624321 /nfs/dbraw/zinc/62/43/21/1060624321.db2.gz YMCOCEOEFSGRJP-ALCCZGGFSA-N 1 3 312.501 4.185 20 0 DIADHO Cc1cc(C)c(/C=C\C[N@H+]2CCCC23CCN(C)CC3)cc1C ZINC001560757899 1060624329 /nfs/dbraw/zinc/62/43/29/1060624329.db2.gz YMCOCEOEFSGRJP-ALCCZGGFSA-N 1 3 312.501 4.185 20 0 DIADHO Cc1cc(C)c(/C=C\C[N@@H+]2CCCC23CCN(C)CC3)cc1C ZINC001560757899 1060624337 /nfs/dbraw/zinc/62/43/37/1060624337.db2.gz YMCOCEOEFSGRJP-ALCCZGGFSA-N 1 3 312.501 4.185 20 0 DIADHO Cc1cc(C)c(/C=C/CN2CCCC23CC[NH+](C)CC3)cc1C ZINC001560757900 1060624596 /nfs/dbraw/zinc/62/45/96/1060624596.db2.gz YMCOCEOEFSGRJP-FNORWQNLSA-N 1 3 312.501 4.185 20 0 DIADHO Cc1cc(C)c(/C=C/C[N@H+]2CCCC23CCN(C)CC3)cc1C ZINC001560757900 1060624601 /nfs/dbraw/zinc/62/46/01/1060624601.db2.gz YMCOCEOEFSGRJP-FNORWQNLSA-N 1 3 312.501 4.185 20 0 DIADHO Cc1cc(C)c(/C=C/C[N@@H+]2CCCC23CCN(C)CC3)cc1C ZINC001560757900 1060624608 /nfs/dbraw/zinc/62/46/08/1060624608.db2.gz YMCOCEOEFSGRJP-FNORWQNLSA-N 1 3 312.501 4.185 20 0 DIADHO CC[C@@H](C[NH+]1CCC(CC)(N2CCC2)CC1)c1ccccc1 ZINC001561011540 1060869682 /nfs/dbraw/zinc/86/96/82/1060869682.db2.gz NIYCVCGIEOJQJS-SFHVURJKSA-N 1 3 300.490 4.131 20 0 DIADHO CC[C@@H](CN1CCC(CC)([NH+]2CCC2)CC1)c1ccccc1 ZINC001561011540 1060869690 /nfs/dbraw/zinc/86/96/90/1060869690.db2.gz NIYCVCGIEOJQJS-SFHVURJKSA-N 1 3 300.490 4.131 20 0 DIADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC001561055463 1060904785 /nfs/dbraw/zinc/90/47/85/1060904785.db2.gz ZLVZOMKTBRNVDH-ZWKOTPCHSA-N 1 3 304.522 4.453 20 0 DIADHO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)CCN(CC)CC ZINC001561055292 1060905700 /nfs/dbraw/zinc/90/57/00/1060905700.db2.gz LNCAYQSMXXLYKD-QAPCUYQASA-N 1 3 310.913 4.371 20 0 DIADHO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)CCN(CC)CC ZINC001561055293 1060906170 /nfs/dbraw/zinc/90/61/70/1060906170.db2.gz LNCAYQSMXXLYKD-YJBOKZPZSA-N 1 3 310.913 4.371 20 0 DIADHO Fc1cccc(CN2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)c1 ZINC001278596792 1061059993 /nfs/dbraw/zinc/05/99/93/1061059993.db2.gz XFVMFCOGNVPGOH-UHFFFAOYSA-N 1 3 316.464 4.056 20 0 DIADHO Fc1cccc(CN2CCC3(CC[N@H+](C4CCCC4)C3)CC2)c1 ZINC001278596792 1061060009 /nfs/dbraw/zinc/06/00/09/1061060009.db2.gz XFVMFCOGNVPGOH-UHFFFAOYSA-N 1 3 316.464 4.056 20 0 DIADHO c1ccc(CN2CCCC[C@@H](C[NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC001462310141 1061095671 /nfs/dbraw/zinc/09/56/71/1061095671.db2.gz AGUOKAANXWAABY-IBGZPJMESA-N 1 3 312.501 4.211 20 0 DIADHO CCc1ccccc1C[NH+]1CCC(NCc2ccccc2)CC1 ZINC001473490328 1061188342 /nfs/dbraw/zinc/18/83/42/1061188342.db2.gz ZIEQUQVVOXNXLM-UHFFFAOYSA-N 1 3 308.469 4.003 20 0 DIADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC(C)(C)C(C)(F)F)CC1 ZINC001462510427 1061218747 /nfs/dbraw/zinc/21/87/47/1061218747.db2.gz HCJDSZKWAQJRKA-ZBFHGGJFSA-N 1 3 316.480 4.301 20 0 DIADHO CC[C@@H](CC1CCCCC1)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC001462592893 1061285060 /nfs/dbraw/zinc/28/50/60/1061285060.db2.gz PACZARQXKJENLN-PMACEKPBSA-N 1 3 317.521 4.413 20 0 DIADHO C[C@]1(c2ccccc2)CC[C@H](N2CCC([NH2+]C3CCC3)CC2)C1 ZINC001462644308 1061315580 /nfs/dbraw/zinc/31/55/80/1061315580.db2.gz IXMHNHGHQZJAEW-SFTDATJTSA-N 1 3 312.501 4.103 20 0 DIADHO Cc1cccc(C)c1C[N@H+]1CCC[C@H]1CCN1CCC(C)CC1 ZINC001473716520 1061364331 /nfs/dbraw/zinc/36/43/31/1061364331.db2.gz HCPOMWDHGXMLSS-FQEVSTJZSA-N 1 3 314.517 4.390 20 0 DIADHO Cc1cccc(C)c1C[N@@H+]1CCC[C@H]1CCN1CCC(C)CC1 ZINC001473716520 1061364352 /nfs/dbraw/zinc/36/43/52/1061364352.db2.gz HCPOMWDHGXMLSS-FQEVSTJZSA-N 1 3 314.517 4.390 20 0 DIADHO Cc1cccc(C)c1CN1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001473716520 1061364371 /nfs/dbraw/zinc/36/43/71/1061364371.db2.gz HCPOMWDHGXMLSS-FQEVSTJZSA-N 1 3 314.517 4.390 20 0 DIADHO Cc1cccc(C)c1C[N@H+]1CCC[C@@H]1CCN1CCC(C)CC1 ZINC001473716521 1061366613 /nfs/dbraw/zinc/36/66/13/1061366613.db2.gz HCPOMWDHGXMLSS-HXUWFJFHSA-N 1 3 314.517 4.390 20 0 DIADHO Cc1cccc(C)c1C[N@@H+]1CCC[C@@H]1CCN1CCC(C)CC1 ZINC001473716521 1061366632 /nfs/dbraw/zinc/36/66/32/1061366632.db2.gz HCPOMWDHGXMLSS-HXUWFJFHSA-N 1 3 314.517 4.390 20 0 DIADHO Cc1cccc(C)c1CN1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001473716521 1061366651 /nfs/dbraw/zinc/36/66/51/1061366651.db2.gz HCPOMWDHGXMLSS-HXUWFJFHSA-N 1 3 314.517 4.390 20 0 DIADHO C[N@@H+]1CC[C@@H](N[C@@H](Cc2ccccc2)c2ccccc2)CC1(C)C ZINC001473921467 1061471314 /nfs/dbraw/zinc/47/13/14/1061471314.db2.gz MRCDLQQFXVQKDS-RTWAWAEBSA-N 1 3 322.496 4.433 20 0 DIADHO C[N@H+]1CC[C@@H](N[C@@H](Cc2ccccc2)c2ccccc2)CC1(C)C ZINC001473921467 1061471328 /nfs/dbraw/zinc/47/13/28/1061471328.db2.gz MRCDLQQFXVQKDS-RTWAWAEBSA-N 1 3 322.496 4.433 20 0 DIADHO CCCCOc1ccc(CN[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC001473998732 1061539837 /nfs/dbraw/zinc/53/98/37/1061539837.db2.gz DEARLWFBNUNKII-LJQANCHMSA-N 1 3 320.521 4.322 20 0 DIADHO Cc1ccc(-c2ccccc2C[NH+]2CCC(N(C)C)CC2)c(C)c1 ZINC001474332724 1061925793 /nfs/dbraw/zinc/92/57/93/1061925793.db2.gz NUHASUQPSKQZFU-UHFFFAOYSA-N 1 3 322.496 4.496 20 0 DIADHO C[C@@H](CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC001474371515 1062006997 /nfs/dbraw/zinc/00/69/97/1062006997.db2.gz UGMRHWRLYXWOPV-PMACEKPBSA-N 1 3 314.517 4.378 20 0 DIADHO CC(C)CCN1CCC([NH2+][C@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC001474393298 1062044102 /nfs/dbraw/zinc/04/41/02/1062044102.db2.gz NHJSFWFJXWXDCB-LAUBAEHRSA-N 1 3 314.517 4.410 20 0 DIADHO CC(C)CC[NH+]1CCC(N[C@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC001474393298 1062044122 /nfs/dbraw/zinc/04/41/22/1062044122.db2.gz NHJSFWFJXWXDCB-LAUBAEHRSA-N 1 3 314.517 4.410 20 0 DIADHO CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC001254488471 1062130657 /nfs/dbraw/zinc/13/06/57/1062130657.db2.gz WIQSXRYDJSTWIR-VAMGGRTRSA-N 1 3 302.506 4.250 20 0 DIADHO C[N@@H+]1CCC[C@@H](NC(C)(C)c2ccc(C(F)(F)F)cc2)CC1 ZINC001254501300 1062146871 /nfs/dbraw/zinc/14/68/71/1062146871.db2.gz RJVKLMKELLBIAL-OAHLLOKOSA-N 1 3 314.395 4.014 20 0 DIADHO C[N@H+]1CCC[C@@H](NC(C)(C)c2ccc(C(F)(F)F)cc2)CC1 ZINC001254501300 1062146877 /nfs/dbraw/zinc/14/68/77/1062146877.db2.gz RJVKLMKELLBIAL-OAHLLOKOSA-N 1 3 314.395 4.014 20 0 DIADHO C[N@@H+]1CCC[C@H](NC(C)(C)c2cccc(C(F)(F)F)c2)CC1 ZINC001254505910 1062148363 /nfs/dbraw/zinc/14/83/63/1062148363.db2.gz LOQLLYOXATUZDI-HNNXBMFYSA-N 1 3 314.395 4.014 20 0 DIADHO C[N@H+]1CCC[C@H](NC(C)(C)c2cccc(C(F)(F)F)c2)CC1 ZINC001254505910 1062148366 /nfs/dbraw/zinc/14/83/66/1062148366.db2.gz LOQLLYOXATUZDI-HNNXBMFYSA-N 1 3 314.395 4.014 20 0 DIADHO CN1CCC[C@H]([NH2+][C@@H](CC2CCC2)c2ccccc2F)CC1 ZINC001254507449 1062149437 /nfs/dbraw/zinc/14/94/37/1062149437.db2.gz CELUBNWCUGPNEY-LPHOPBHVSA-N 1 3 304.453 4.131 20 0 DIADHO CC[C@H](N[C@H]1CCC[N@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC001254510120 1062149698 /nfs/dbraw/zinc/14/96/98/1062149698.db2.gz RXPGPUMDVMCHOW-HOTGVXAUSA-N 1 3 314.395 4.230 20 0 DIADHO CC[C@H](N[C@H]1CCC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC001254510120 1062149707 /nfs/dbraw/zinc/14/97/07/1062149707.db2.gz RXPGPUMDVMCHOW-HOTGVXAUSA-N 1 3 314.395 4.230 20 0 DIADHO CC(C)CCN1CCC([NH2+]CC[C@H](C)c2ccccc2)CC1 ZINC001474478893 1062158778 /nfs/dbraw/zinc/15/87/78/1062158778.db2.gz DMIARGFTMHGUJQ-SFHVURJKSA-N 1 3 302.506 4.280 20 0 DIADHO CCCN1CCC([N@H+](C)Cc2ccccc2SCC)CC1 ZINC001459614851 1062247645 /nfs/dbraw/zinc/24/76/45/1062247645.db2.gz RJXCVSVULVOFBY-UHFFFAOYSA-N 1 3 306.519 4.105 20 0 DIADHO CCCN1CCC([N@@H+](C)Cc2ccccc2SCC)CC1 ZINC001459614851 1062247669 /nfs/dbraw/zinc/24/76/69/1062247669.db2.gz RJXCVSVULVOFBY-UHFFFAOYSA-N 1 3 306.519 4.105 20 0 DIADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(C(C)(C)C)c2)[C@@H](C)C1 ZINC001459668633 1062288494 /nfs/dbraw/zinc/28/84/94/1062288494.db2.gz LVNKDMUUCKRVEI-QFBILLFUSA-N 1 3 302.506 4.146 20 0 DIADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(C(C)(C)C)c2)[C@@H](C)C1 ZINC001459668633 1062288499 /nfs/dbraw/zinc/28/84/99/1062288499.db2.gz LVNKDMUUCKRVEI-QFBILLFUSA-N 1 3 302.506 4.146 20 0 DIADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC(C)(C)C(C)(F)F)CC2)C1 ZINC001474669275 1062399149 /nfs/dbraw/zinc/39/91/49/1062399149.db2.gz XYJOYSPYVDBNHU-HOCLYGCPSA-N 1 3 316.480 4.301 20 0 DIADHO Cc1ccc(CN[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255375133 1062419640 /nfs/dbraw/zinc/41/96/40/1062419640.db2.gz DCEGGBFSFBKLRQ-OAQYLSRUSA-N 1 3 308.469 4.139 20 0 DIADHO Cc1ccc(CN[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255375133 1062419649 /nfs/dbraw/zinc/41/96/49/1062419649.db2.gz DCEGGBFSFBKLRQ-OAQYLSRUSA-N 1 3 308.469 4.139 20 0 DIADHO Cc1ccccc1CN[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255378394 1062421196 /nfs/dbraw/zinc/42/11/96/1062421196.db2.gz NRCHMALWZDSIPM-NRFANRHFSA-N 1 3 308.469 4.139 20 0 DIADHO Cc1ccccc1CN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255378394 1062421205 /nfs/dbraw/zinc/42/12/05/1062421205.db2.gz NRCHMALWZDSIPM-NRFANRHFSA-N 1 3 308.469 4.139 20 0 DIADHO Cc1csc(CN[C@H]2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC001255382446 1062421748 /nfs/dbraw/zinc/42/17/48/1062421748.db2.gz UIDOHSBXBGURRT-SFHVURJKSA-N 1 3 314.498 4.201 20 0 DIADHO Cc1csc(CN[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255382446 1062421758 /nfs/dbraw/zinc/42/17/58/1062421758.db2.gz UIDOHSBXBGURRT-SFHVURJKSA-N 1 3 314.498 4.201 20 0 DIADHO Cc1csc(CN[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC001255382444 1062422201 /nfs/dbraw/zinc/42/22/01/1062422201.db2.gz UIDOHSBXBGURRT-GOSISDBHSA-N 1 3 314.498 4.201 20 0 DIADHO Cc1csc(CN[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255382444 1062422221 /nfs/dbraw/zinc/42/22/21/1062422221.db2.gz UIDOHSBXBGURRT-GOSISDBHSA-N 1 3 314.498 4.201 20 0 DIADHO C=Cc1ccc(CN[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255384747 1062423349 /nfs/dbraw/zinc/42/33/49/1062423349.db2.gz BCKJQGGGYKZSTD-JOCHJYFZSA-N 1 3 320.480 4.474 20 0 DIADHO C=Cc1ccc(CN[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255384747 1062423364 /nfs/dbraw/zinc/42/33/64/1062423364.db2.gz BCKJQGGGYKZSTD-JOCHJYFZSA-N 1 3 320.480 4.474 20 0 DIADHO c1ccc(CN2CCC[C@H]([N@@H+]3CCC[C@H]4CCC[C@H]43)CC2)cc1 ZINC001255406429 1062439667 /nfs/dbraw/zinc/43/96/67/1062439667.db2.gz SECADTOPSXUCLP-QHAWAJNXSA-N 1 3 312.501 4.306 20 0 DIADHO c1ccc(CN2CCC[C@H]([N@H+]3CCC[C@H]4CCC[C@H]43)CC2)cc1 ZINC001255406429 1062439679 /nfs/dbraw/zinc/43/96/79/1062439679.db2.gz SECADTOPSXUCLP-QHAWAJNXSA-N 1 3 312.501 4.306 20 0 DIADHO Cc1ccc([C@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1Cl ZINC001255668163 1062506263 /nfs/dbraw/zinc/50/62/63/1062506263.db2.gz FTGBRGIFWRJVSZ-LNRIEFBSSA-N 1 3 306.881 4.314 20 0 DIADHO Cc1ccc([C@H](C)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC001255668163 1062506288 /nfs/dbraw/zinc/50/62/88/1062506288.db2.gz FTGBRGIFWRJVSZ-LNRIEFBSSA-N 1 3 306.881 4.314 20 0 DIADHO [NH3+]C1(CC2CCC2)CCN([C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001255699565 1062525191 /nfs/dbraw/zinc/52/51/91/1062525191.db2.gz KGBKRYVYEQCFFW-CABCVRRESA-N 1 3 318.427 4.091 20 0 DIADHO C[C@H](CSc1ccc(F)cc1)NCCC[N@@H+]1CCCC[C@H]1C ZINC001255727853 1062547733 /nfs/dbraw/zinc/54/77/33/1062547733.db2.gz IFRBEKVDQYYIAO-HZPDHXFCSA-N 1 3 324.509 4.160 20 0 DIADHO C[C@H](CSc1ccc(F)cc1)NCCC[N@H+]1CCCC[C@H]1C ZINC001255727853 1062547756 /nfs/dbraw/zinc/54/77/56/1062547756.db2.gz IFRBEKVDQYYIAO-HZPDHXFCSA-N 1 3 324.509 4.160 20 0 DIADHO C[C@H](CSc1ccc(F)cc1)N1C(C)(C)CC([NH3+])CC1(C)C ZINC001255728300 1062550967 /nfs/dbraw/zinc/55/09/67/1062550967.db2.gz QFAIQXQNFHAKLJ-CYBMUJFWSA-N 1 3 324.509 4.287 20 0 DIADHO C[C@H](CSc1ccc(F)cc1)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001255728300 1062550986 /nfs/dbraw/zinc/55/09/86/1062550986.db2.gz QFAIQXQNFHAKLJ-CYBMUJFWSA-N 1 3 324.509 4.287 20 0 DIADHO Cc1ccc(C[C@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC001255781781 1062602328 /nfs/dbraw/zinc/60/23/28/1062602328.db2.gz REGZMTOVFHMNMT-SFHVURJKSA-N 1 3 314.517 4.313 20 0 DIADHO C[C@@H](Cc1ccccc1F)[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001255851464 1062631267 /nfs/dbraw/zinc/63/12/67/1062631267.db2.gz OYLMPLXLZZREKL-HKUYNNGSSA-N 1 3 318.480 4.097 20 0 DIADHO C[C@@H](Cc1ccccc1F)[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001255851464 1062631277 /nfs/dbraw/zinc/63/12/77/1062631277.db2.gz OYLMPLXLZZREKL-HKUYNNGSSA-N 1 3 318.480 4.097 20 0 DIADHO CCN(CC)CC[C@@H](C)[NH2+]CCSc1ccc(Cl)cc1 ZINC001255942821 1062665278 /nfs/dbraw/zinc/66/52/78/1062665278.db2.gz IJLXRGFUJQJGAM-CQSZACIVSA-N 1 3 314.926 4.142 20 0 DIADHO c1ccc([C@H]2CCC[C@@H](N3CCC([NH+]4CCCC4)CC3)C2)cc1 ZINC001256114148 1062715608 /nfs/dbraw/zinc/71/56/08/1062715608.db2.gz VMUNGTCDTONIHC-PZJWPPBQSA-N 1 3 312.501 4.273 20 0 DIADHO c1ccc([C@H]2CCC[C@@H]([NH+]3CCC(N4CCCC4)CC3)C2)cc1 ZINC001256114148 1062715627 /nfs/dbraw/zinc/71/56/27/1062715627.db2.gz VMUNGTCDTONIHC-PZJWPPBQSA-N 1 3 312.501 4.273 20 0 DIADHO C[C@]1(Cc2cccc(F)c2)CCCN1CCC[NH+]1CCCCC1 ZINC001460274474 1062750824 /nfs/dbraw/zinc/75/08/24/1062750824.db2.gz DZPSLLPOKIRJFF-HXUWFJFHSA-N 1 3 318.480 4.099 20 0 DIADHO Cc1cccc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001256538667 1062861892 /nfs/dbraw/zinc/86/18/92/1062861892.db2.gz UZQKEQNVACIMAO-KNQAVFIVSA-N 1 3 322.496 4.480 20 0 DIADHO Cc1cccc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001256538667 1062861913 /nfs/dbraw/zinc/86/19/13/1062861913.db2.gz UZQKEQNVACIMAO-KNQAVFIVSA-N 1 3 322.496 4.480 20 0 DIADHO Cc1ccccc1CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256548947 1062869476 /nfs/dbraw/zinc/86/94/76/1062869476.db2.gz CSUAKBICHMBMCY-KNQAVFIVSA-N 1 3 322.496 4.480 20 0 DIADHO Cc1ccccc1CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256548947 1062869498 /nfs/dbraw/zinc/86/94/98/1062869498.db2.gz CSUAKBICHMBMCY-KNQAVFIVSA-N 1 3 322.496 4.480 20 0 DIADHO CC(C)(C)N1CCC([NH2+]CC(C)(C)Cc2ccc(F)cc2)CC1 ZINC001256566711 1062889520 /nfs/dbraw/zinc/88/95/20/1062889520.db2.gz LFKUFGRJAKISOB-UHFFFAOYSA-N 1 3 320.496 4.247 20 0 DIADHO CC(C)(C)[NH+]1CCC(N[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001256569284 1062892603 /nfs/dbraw/zinc/89/26/03/1062892603.db2.gz ZBRGOWZCTXMUSU-IRXDYDNUSA-N 1 3 306.881 4.048 20 0 DIADHO CC(C)(C)[NH+]1CCC(N[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001256569282 1062893061 /nfs/dbraw/zinc/89/30/61/1062893061.db2.gz ZBRGOWZCTXMUSU-DLBZAZTESA-N 1 3 306.881 4.048 20 0 DIADHO CC(C)(C)N1CCC([NH+]2CCC(c3cccs3)CC2)CC1 ZINC001256571027 1062896345 /nfs/dbraw/zinc/89/63/45/1062896345.db2.gz AGBBMCMRMXMEPF-UHFFFAOYSA-N 1 3 306.519 4.190 20 0 DIADHO CCN(Cc1ccc(C)c(C)c1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256576268 1062898699 /nfs/dbraw/zinc/89/86/99/1062898699.db2.gz DDCKECWBESUFSV-UHFFFAOYSA-N 1 3 302.506 4.388 20 0 DIADHO CCC1(N2CCC2)CC[NH+]([C@@H](C)c2ccc3c(c2)CCC3)CC1 ZINC001460795310 1063062950 /nfs/dbraw/zinc/06/29/50/1063062950.db2.gz OZFUAFFJONHZEO-KRWDZBQOSA-N 1 3 312.501 4.187 20 0 DIADHO CCC[C@@H](CC)[NH+]1CCC(N)(Cc2cccc(Cl)c2)CC1 ZINC001257253141 1063160225 /nfs/dbraw/zinc/16/02/25/1063160225.db2.gz KVOZMYNYYYYJGY-QGZVFWFLSA-N 1 3 308.897 4.255 20 0 DIADHO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCN1CCCCC1 ZINC001461003752 1063181432 /nfs/dbraw/zinc/18/14/32/1063181432.db2.gz BRQNHYKMLWEPOY-PEZBUJJGSA-N 1 3 306.881 4.209 20 0 DIADHO Clc1ccc(CN2CCC(C[NH2+]C3CCCC3)CC2)cc1 ZINC001257346026 1063223744 /nfs/dbraw/zinc/22/37/44/1063223744.db2.gz YNYUHASOWQTVHA-UHFFFAOYSA-N 1 3 306.881 4.084 20 0 DIADHO CC(C)(C)N1CCC([NH2+]Cc2cccc(CC3CCC3)c2)CC1 ZINC001461068300 1063231796 /nfs/dbraw/zinc/23/17/96/1063231796.db2.gz YCOPLRVVBNNPBY-UHFFFAOYSA-N 1 3 314.517 4.382 20 0 DIADHO CCCN1C[C@@H]2C[NH+](C3CCC(C(C)(C)CC)CC3)C[C@H]2C1 ZINC001257408060 1063259599 /nfs/dbraw/zinc/25/95/99/1063259599.db2.gz XHAMVUGZOYACRA-YYZRRKBYSA-N 1 3 306.538 4.255 20 0 DIADHO CCCC[C@@H](CC)[NH+]1CCC(N)(Cc2cccc(F)c2)CC1 ZINC001257413961 1063262802 /nfs/dbraw/zinc/26/28/02/1063262802.db2.gz IPXDNBDBSPEQPW-GOSISDBHSA-N 1 3 306.469 4.130 20 0 DIADHO CC(C)CN1CCC[C@H](C[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC001461372323 1063455154 /nfs/dbraw/zinc/45/51/54/1063455154.db2.gz CNEMZIZYJIGOJZ-GOSISDBHSA-N 1 3 306.538 4.447 20 0 DIADHO CCC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)c1cccc(F)c1 ZINC001258006676 1063461390 /nfs/dbraw/zinc/46/13/90/1063461390.db2.gz KQPGBZOBULTRLU-LJQANCHMSA-N 1 3 306.469 4.377 20 0 DIADHO Cc1ccccc1CC(C)(C)C[NH2+]C1CCN(CC(C)C)CC1 ZINC001258007304 1063462715 /nfs/dbraw/zinc/46/27/15/1063462715.db2.gz AKBHBFQUHYTAMU-UHFFFAOYSA-N 1 3 316.533 4.274 20 0 DIADHO CC(C)CN1CCC([NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC001258006677 1063462983 /nfs/dbraw/zinc/46/29/83/1063462983.db2.gz KQSMCPCLRNEWGC-FQEVSTJZSA-N 1 3 300.490 4.238 20 0 DIADHO CC(C)C[NH+]1CCC(N[C@@H](c2ccccc2)C2CCC2)CC1 ZINC001258006677 1063462995 /nfs/dbraw/zinc/46/29/95/1063462995.db2.gz KQSMCPCLRNEWGC-FQEVSTJZSA-N 1 3 300.490 4.238 20 0 DIADHO C/C(=C\c1ccc(Cl)cc1)CNCC1(C[NH+](C)C)CCCC1 ZINC001461424327 1063491940 /nfs/dbraw/zinc/49/19/40/1063491940.db2.gz OGDOUWPKVOWROD-FOWTUZBSSA-N 1 3 320.908 4.455 20 0 DIADHO COC1CC[NH+](C2CCN([C@@H](C)C[C@@H](C)CC(C)C)CC2)CC1 ZINC001258073358 1063499350 /nfs/dbraw/zinc/49/93/50/1063499350.db2.gz CEIMFBBEQJJOIO-ROUUACIJSA-N 1 3 324.553 4.022 20 0 DIADHO CC[N@H+]([C@H]1CCOC1)C1CCN([C@H](C)C[C@H](C)CC(C)C)CC1 ZINC001258075254 1063503225 /nfs/dbraw/zinc/50/32/25/1063503225.db2.gz TXKWKJCLWDYXPS-GGPKGHCWSA-N 1 3 324.553 4.022 20 0 DIADHO CC[N@@H+]([C@H]1CCOC1)C1CCN([C@H](C)C[C@H](C)CC(C)C)CC1 ZINC001258075254 1063503233 /nfs/dbraw/zinc/50/32/33/1063503233.db2.gz TXKWKJCLWDYXPS-GGPKGHCWSA-N 1 3 324.553 4.022 20 0 DIADHO Cc1cccc(CN(C)C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001258140656 1063531703 /nfs/dbraw/zinc/53/17/03/1063531703.db2.gz BDNBPQBXYAYVAU-UHFFFAOYSA-N 1 3 322.496 4.134 20 0 DIADHO Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@H](C)CN(C)C)cc2)c1 ZINC001461537747 1063566482 /nfs/dbraw/zinc/56/64/82/1063566482.db2.gz CAKKNEHWNNHWAQ-SFHVURJKSA-N 1 3 310.485 4.258 20 0 DIADHO CC(C)[NH+]1CCC(CCNCc2ccsc2Cl)CC1 ZINC001461673106 1063649222 /nfs/dbraw/zinc/64/92/22/1063649222.db2.gz QMDBGNGBBPCGOO-UHFFFAOYSA-N 1 3 300.899 4.002 20 0 DIADHO CC[N@H+](Cc1ccccc1)C1CCN([C@@H](C)CC2CC2)CC1 ZINC001258461711 1063664070 /nfs/dbraw/zinc/66/40/70/1063664070.db2.gz DYYDCWKPJJFDHS-KRWDZBQOSA-N 1 3 300.490 4.162 20 0 DIADHO CC[N@@H+](Cc1ccccc1)C1CCN([C@@H](C)CC2CC2)CC1 ZINC001258461711 1063664076 /nfs/dbraw/zinc/66/40/76/1063664076.db2.gz DYYDCWKPJJFDHS-KRWDZBQOSA-N 1 3 300.490 4.162 20 0 DIADHO C[C@H](c1nccc2ccccc21)[N@H+](C)CC[C@@H]1CCCCN1C ZINC001461921451 1063806452 /nfs/dbraw/zinc/80/64/52/1063806452.db2.gz OTHUZALDSIHHEE-AEFFLSMTSA-N 1 3 311.473 4.102 20 0 DIADHO C[C@H](c1nccc2ccccc21)[N@@H+](C)CC[C@@H]1CCCCN1C ZINC001461921451 1063806457 /nfs/dbraw/zinc/80/64/57/1063806457.db2.gz OTHUZALDSIHHEE-AEFFLSMTSA-N 1 3 311.473 4.102 20 0 DIADHO CCC[NH+]1CCC(N[C@@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC001258768827 1063812160 /nfs/dbraw/zinc/81/21/60/1063812160.db2.gz YLXFXUFQAVTOFP-LJQANCHMSA-N 1 3 304.453 4.131 20 0 DIADHO CC[C@H](C)C[C@H](CC)[NH+]1CCC(N)(Cc2ccc(F)cc2)CC1 ZINC001258786053 1063822730 /nfs/dbraw/zinc/82/27/30/1063822730.db2.gz JZZWMIWVGUSECO-LPHOPBHVSA-N 1 3 320.496 4.376 20 0 DIADHO CCC(CC)N1CCC([NH2+][C@H](CC)Cc2ccccc2)CC1 ZINC001258842198 1063862018 /nfs/dbraw/zinc/86/20/18/1063862018.db2.gz CTQBKHUUZHNVKM-GOSISDBHSA-N 1 3 302.506 4.250 20 0 DIADHO CC[C@@H](Cc1ccccc1)N1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001258844492 1063864007 /nfs/dbraw/zinc/86/40/07/1063864007.db2.gz RTPNPUZFPIJUCP-NRFANRHFSA-N 1 3 322.496 4.044 20 0 DIADHO CC[C@@H](Cc1ccccc1)[NH+]1CCC(N)(Cc2ccccc2)CC1 ZINC001258844492 1063864019 /nfs/dbraw/zinc/86/40/19/1063864019.db2.gz RTPNPUZFPIJUCP-NRFANRHFSA-N 1 3 322.496 4.044 20 0 DIADHO CC[NH+](CC)CCC[C@@H](C)NCc1c(F)ccc(F)c1Cl ZINC001258898970 1063875351 /nfs/dbraw/zinc/87/53/51/1063875351.db2.gz ZTKLITVYIHGRKF-GFCCVEGCSA-N 1 3 318.839 4.218 20 0 DIADHO CC[NH+](CC)CCC[C@H](C)N(C)Cc1nc2ccccc2s1 ZINC001258907136 1063878351 /nfs/dbraw/zinc/87/83/51/1063878351.db2.gz GJQVNEFLCDIGLA-HNNXBMFYSA-N 1 3 319.518 4.239 20 0 DIADHO Cc1ccc(CC[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)cc1C ZINC001462079487 1063918978 /nfs/dbraw/zinc/91/89/78/1063918978.db2.gz JKCFAMXTCNIPBM-QUCCMNQESA-N 1 3 314.517 4.089 20 0 DIADHO C[C@H](CCc1ccc(F)cc1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC001462084318 1063921033 /nfs/dbraw/zinc/92/10/33/1063921033.db2.gz LWJZNSZBAAQMLC-SJORKVTESA-N 1 3 306.469 4.001 20 0 DIADHO Cc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390876401 1064174012 /nfs/dbraw/zinc/17/40/12/1064174012.db2.gz RESZAZQMLSQUOL-OAQYLSRUSA-N 1 3 322.496 4.385 20 0 DIADHO Cc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390876401 1064174017 /nfs/dbraw/zinc/17/40/17/1064174017.db2.gz RESZAZQMLSQUOL-OAQYLSRUSA-N 1 3 322.496 4.385 20 0 DIADHO CCN(C)C[C@@H]1CC[N@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC001307514891 1065452983 /nfs/dbraw/zinc/45/29/83/1065452983.db2.gz WWJPJMQMORSDMZ-SCCNAQOGSA-N 1 3 314.517 4.234 20 0 DIADHO CCN(C)C[C@@H]1CC[N@@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC001307514891 1065452987 /nfs/dbraw/zinc/45/29/87/1065452987.db2.gz WWJPJMQMORSDMZ-SCCNAQOGSA-N 1 3 314.517 4.234 20 0 DIADHO CCCc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC001307593432 1065504329 /nfs/dbraw/zinc/50/43/29/1065504329.db2.gz ZDYDRGDKUFKUNI-PZJWPPBQSA-N 1 3 312.501 4.088 20 0 DIADHO CCCc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC001307593432 1065504342 /nfs/dbraw/zinc/50/43/42/1065504342.db2.gz ZDYDRGDKUFKUNI-PZJWPPBQSA-N 1 3 312.501 4.088 20 0 DIADHO CCCc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC001307593431 1065504548 /nfs/dbraw/zinc/50/45/48/1065504548.db2.gz ZDYDRGDKUFKUNI-FPOVZHCZSA-N 1 3 312.501 4.088 20 0 DIADHO CCCc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC001307593431 1065504559 /nfs/dbraw/zinc/50/45/59/1065504559.db2.gz ZDYDRGDKUFKUNI-FPOVZHCZSA-N 1 3 312.501 4.088 20 0 DIADHO CC[N@H+](CCC1CCN(Cc2ccc(F)cc2)CC1)CC(C)C ZINC001307604909 1065509960 /nfs/dbraw/zinc/50/99/60/1065509960.db2.gz VPYORCJTZIRNNS-UHFFFAOYSA-N 1 3 320.496 4.406 20 0 DIADHO CC[N@@H+](CCC1CCN(Cc2ccc(F)cc2)CC1)CC(C)C ZINC001307604909 1065509975 /nfs/dbraw/zinc/50/99/75/1065509975.db2.gz VPYORCJTZIRNNS-UHFFFAOYSA-N 1 3 320.496 4.406 20 0 DIADHO CC(C)Cc1ccc([C@@H]([NH2+]CC[C@H]2CCCN2C)C2CC2)cc1 ZINC001307614335 1065518541 /nfs/dbraw/zinc/51/85/41/1065518541.db2.gz GEYZCXBTFBNKQH-NHCUHLMSSA-N 1 3 314.517 4.410 20 0 DIADHO CC(C)Cc1ccc([C@@H](NCC[C@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC001307614335 1065518553 /nfs/dbraw/zinc/51/85/53/1065518553.db2.gz GEYZCXBTFBNKQH-NHCUHLMSSA-N 1 3 314.517 4.410 20 0 DIADHO CC(C)Cc1ccc([C@@H](NCC[C@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC001307614335 1065518565 /nfs/dbraw/zinc/51/85/65/1065518565.db2.gz GEYZCXBTFBNKQH-NHCUHLMSSA-N 1 3 314.517 4.410 20 0 DIADHO C[N@@H+]1CCC[C@@H]1CCN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC001307628306 1065527623 /nfs/dbraw/zinc/52/76/23/1065527623.db2.gz HERCSQBENOXXCE-QZTJIDSGSA-N 1 3 306.881 4.255 20 0 DIADHO C[N@H+]1CCC[C@@H]1CCN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC001307628306 1065527630 /nfs/dbraw/zinc/52/76/30/1065527630.db2.gz HERCSQBENOXXCE-QZTJIDSGSA-N 1 3 306.881 4.255 20 0 DIADHO CN1CCC[C@@H]1CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC001307628306 1065527639 /nfs/dbraw/zinc/52/76/39/1065527639.db2.gz HERCSQBENOXXCE-QZTJIDSGSA-N 1 3 306.881 4.255 20 0 DIADHO CCC1([NH+]2CCCCC2)CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001308041132 1065738910 /nfs/dbraw/zinc/73/89/10/1065738910.db2.gz BKDDOCGBJWVTLA-QRVBRYPASA-N 1 3 304.522 4.153 20 0 DIADHO CC[C@H](C[NH2+]C1CCN(CC2CCCC2)CC1)c1ccccc1 ZINC001308360084 1065938850 /nfs/dbraw/zinc/93/88/50/1065938850.db2.gz JXPVTPXYCZXQHM-LJQANCHMSA-N 1 3 314.517 4.424 20 0 DIADHO CCCc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC001308576061 1066091880 /nfs/dbraw/zinc/09/18/80/1066091880.db2.gz YJKMXAOOFVWKDU-KXBFYZLASA-N 1 3 318.530 4.149 20 0 DIADHO CCCc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC001308576061 1066091890 /nfs/dbraw/zinc/09/18/90/1066091890.db2.gz YJKMXAOOFVWKDU-KXBFYZLASA-N 1 3 318.530 4.149 20 0 DIADHO CCCc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC001308576060 1066091967 /nfs/dbraw/zinc/09/19/67/1066091967.db2.gz YJKMXAOOFVWKDU-HNAYVOBHSA-N 1 3 318.530 4.149 20 0 DIADHO CCCc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC001308576060 1066091982 /nfs/dbraw/zinc/09/19/82/1066091982.db2.gz YJKMXAOOFVWKDU-HNAYVOBHSA-N 1 3 318.530 4.149 20 0 DIADHO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC001308589572 1066103315 /nfs/dbraw/zinc/10/33/15/1066103315.db2.gz HBCCEMCRJPGIPU-PCCBWWKXSA-N 1 3 318.549 4.423 20 0 DIADHO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC001308589572 1066103319 /nfs/dbraw/zinc/10/33/19/1066103319.db2.gz HBCCEMCRJPGIPU-PCCBWWKXSA-N 1 3 318.549 4.423 20 0 DIADHO C[C@]1(CN2CCC[C@H]([NH+]3CCCC3)CC2)C[C@@H]1c1ccccc1 ZINC001308612030 1066117830 /nfs/dbraw/zinc/11/78/30/1066117830.db2.gz VHVFVNRRQONWEA-PWRODBHTSA-N 1 3 312.501 4.131 20 0 DIADHO C[C@H]([NH2+]C1CCC2(CCC2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC001308682046 1066153852 /nfs/dbraw/zinc/15/38/52/1066153852.db2.gz KCQDSAZLUSFWTQ-DLBZAZTESA-N 1 3 304.522 4.342 20 0 DIADHO C[C@H](CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)N1CCCCC1 ZINC001308682823 1066153995 /nfs/dbraw/zinc/15/39/95/1066153995.db2.gz FMZVWDOHYCGAJH-RLLQIKCJSA-N 1 3 300.490 4.177 20 0 DIADHO CC(C)CCN1CCC([NH2+][C@H](CC(F)(F)F)C(C)C)CC1 ZINC001308697980 1066186316 /nfs/dbraw/zinc/18/63/16/1066186316.db2.gz XHLQBBGBDKODAB-OAHLLOKOSA-N 1 3 308.432 4.064 20 0 DIADHO CC(C)CC[NH+]1CCC(N[C@H](CC(F)(F)F)C(C)C)CC1 ZINC001308697980 1066186318 /nfs/dbraw/zinc/18/63/18/1066186318.db2.gz XHLQBBGBDKODAB-OAHLLOKOSA-N 1 3 308.432 4.064 20 0 DIADHO CC(C)(C[NH2+]C1CCC(c2ccccc2)CC1)CN1CCCC1 ZINC001308737659 1066212021 /nfs/dbraw/zinc/21/20/21/1066212021.db2.gz KPPJZVQXRFCXPG-UHFFFAOYSA-N 1 3 314.517 4.424 20 0 DIADHO CC(C)CCN1CCC([NH2+]CCC[C@H]2CC2(Cl)Cl)CC1 ZINC001308844100 1066321078 /nfs/dbraw/zinc/32/10/78/1066321078.db2.gz XSRNTZFMXRLQHC-AWEZNQCLSA-N 1 3 321.336 4.061 20 0 DIADHO C([NH2+][C@H]1CCCCC12CCCC2)[C@H]1CCCN(CC2CC2)C1 ZINC001308884344 1066362882 /nfs/dbraw/zinc/36/28/82/1066362882.db2.gz PZFJEUJSKGZOGC-MOPGFXCFSA-N 1 3 304.522 4.201 20 0 DIADHO C[C@H](CN(C)C)[C@@H]1CCCC[N@@H+]1C[C@@H](C)c1cc(F)cc(F)c1 ZINC001308882866 1066363349 /nfs/dbraw/zinc/36/33/49/1066363349.db2.gz SGRJSRMUBUEBSD-CLCXKQKWSA-N 1 3 324.459 4.121 20 0 DIADHO C[C@H](CN(C)C)[C@@H]1CCCC[N@H+]1C[C@@H](C)c1cc(F)cc(F)c1 ZINC001308882866 1066363364 /nfs/dbraw/zinc/36/33/64/1066363364.db2.gz SGRJSRMUBUEBSD-CLCXKQKWSA-N 1 3 324.459 4.121 20 0 DIADHO CCN(CC)CC[C@@H]([NH2+][C@H]1CCC12CCC2)c1ccccc1 ZINC001308981938 1066431692 /nfs/dbraw/zinc/43/16/92/1066431692.db2.gz PGYHPSZANUUEKZ-MOPGFXCFSA-N 1 3 300.490 4.382 20 0 DIADHO