smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccccc1 74273795 537865710 /nfs/dbraw/zinc/86/57/10/537865710.db2.gz IKHIBKMYECYOPT-VXGBXAGGSA-N 2 0 190.290 1.781 50 0 ADAARP C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccccc1 74273794 537867844 /nfs/dbraw/zinc/86/78/44/537867844.db2.gz IKHIBKMYECYOPT-NWDGAFQWSA-N 2 0 190.290 1.781 50 0 ADAARP [NH3+]Cc1ccc(C2CC[NH2+]CC2)cc1 75904711 537873810 /nfs/dbraw/zinc/87/38/10/537873810.db2.gz PNHZOKFEUJOPLK-UHFFFAOYSA-N 2 0 190.290 1.612 50 0 ADAARP C[N@@H+]1CCCCCC[NH2+]CCC1 80458259 537875231 /nfs/dbraw/zinc/87/52/31/537875231.db2.gz GLUYYCLHNWQLRV-UHFFFAOYSA-N 2 0 170.300 1.472 50 0 ADAARP C[N@@H+]1CC[C@H]([NH3+])C[C@H]1c1ccccc1 83277687 537895139 /nfs/dbraw/zinc/89/51/39/537895139.db2.gz IKHIBKMYECYOPT-RYUDHWBXSA-N 2 0 190.290 1.781 50 0 ADAARP C[N@@H+]1CCCCC[NH2+]CCC1 113412703 537967223 /nfs/dbraw/zinc/96/72/23/537967223.db2.gz OMZLOWKBOYKALQ-UHFFFAOYSA-N 2 0 156.273 1.082 50 0 ADAARP CC1([NH+]2CCCC2)CCC([NH3+])CC1 675050322 538447832 /nfs/dbraw/zinc/44/78/32/538447832.db2.gz QHPWSMZLALRPIR-UHFFFAOYSA-N 2 0 182.311 1.742 50 0 ADAARP [NH3+][C@@H]1CC[NH2+][C@@H](C2CCCCC2)C1 107129075 573364028 /nfs/dbraw/zinc/36/40/28/573364028.db2.gz GJWBPFSNANHKHK-GHMZBOCLSA-N 2 0 182.311 1.646 50 0 ADAARP [NH3+][C@H]1CC[NH2+][C@@H](C2CCCCC2)C1 107129079 573364235 /nfs/dbraw/zinc/36/42/35/573364235.db2.gz GJWBPFSNANHKHK-WDEREUQCSA-N 2 0 182.311 1.646 50 0 ADAARP [NH3+][C@@H]1CC[C@H]([NH2+]Cc2ccccc2)C1 86396957 573404313 /nfs/dbraw/zinc/40/43/13/573404313.db2.gz VWZLLYXMMPIIRJ-NEPJUHHUSA-N 2 0 190.290 1.656 50 0 ADAARP [NH3+][C@@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1 86396955 573405226 /nfs/dbraw/zinc/40/52/26/573405226.db2.gz VWZLLYXMMPIIRJ-VXGBXAGGSA-N 2 0 190.290 1.656 50 0 ADAARP [NH3+][C@H]1CC[C@H]([NH2+]Cc2ccccc2)C1 86396953 573406228 /nfs/dbraw/zinc/40/62/28/573406228.db2.gz VWZLLYXMMPIIRJ-RYUDHWBXSA-N 2 0 190.290 1.656 50 0 ADAARP COc1ccc([C@H]([NH3+])CC[NH3+])cc1 78212134 573844609 /nfs/dbraw/zinc/84/46/09/573844609.db2.gz FNIMSVNZPYBSLE-SNVBAGLBSA-N 2 0 180.251 1.044 50 0 ADAARP [NH3+]C[C@H]1CCC[NH2+][C@H]1C1CCCCC1 238555804 573874958 /nfs/dbraw/zinc/87/49/58/573874958.db2.gz PXVOUTKVNMCHRN-NEPJUHHUSA-N 2 0 196.338 1.894 50 0 ADAARP C1=C(c2ccc3c[nH+]cn3c2)C[NH2+]CC1 1240659121 764877691 /nfs/dbraw/zinc/87/76/91/764877691.db2.gz MBNYUIAMKZADMF-UHFFFAOYSA-N 2 0 199.257 1.711 50 0 ADAARP [NH3+][C@@H]1CC[C@H](C2CCCCC2)[NH2+]C1 757208839 674027360 /nfs/dbraw/zinc/02/73/60/674027360.db2.gz DZODFLCTGDHQGY-GHMZBOCLSA-N 2 0 182.311 1.646 50 0 ADAARP [NH3+][C@@H]1CC[C@@H](C2CCCCC2)[NH2+]C1 757208844 674027427 /nfs/dbraw/zinc/02/74/27/674027427.db2.gz DZODFLCTGDHQGY-MNOVXSKESA-N 2 0 182.311 1.646 50 0 ADAARP CCCCC[NH2+]CCC[NH3+] 37713506 571795610 /nfs/dbraw/zinc/79/56/10/571795610.db2.gz BDSOOXUHZWICIJ-UHFFFAOYSA-N 2 0 144.262 1.115 50 0 ADAARP [NH3+]Cc1cccc2c(C[NH3+])cccc12 34515443 572087888 /nfs/dbraw/zinc/08/78/88/572087888.db2.gz YCFXKKSMNNPUSL-UHFFFAOYSA-N 2 0 186.258 1.757 50 0 ADAARP Cc1ncccc1CCC[NH3+] 83268143 572597743 /nfs/dbraw/zinc/59/77/43/572597743.db2.gz ZBTIXDYPGJOOLJ-UHFFFAOYSA-N 2 0 150.225 1.281 50 0 ADAARP [NH3+]CC[C@@H]1CCC[N@H+](CCF)C1 87776620 572711652 /nfs/dbraw/zinc/71/16/52/572711652.db2.gz JFGJSHYBETWEMC-VIFPVBQESA-N 2 0 174.263 1.017 50 0 ADAARP [NH3+]CC[C@H]1CCC[N@H+](CCF)C1 87776619 572712733 /nfs/dbraw/zinc/71/27/33/572712733.db2.gz JFGJSHYBETWEMC-SECBINFHSA-N 2 0 174.263 1.017 50 0 ADAARP C[N@@H+]1Cc2ccc(C[NH3+])cc2C1 82632572 573141914 /nfs/dbraw/zinc/14/19/14/573141914.db2.gz JTFADFRGJAHKCZ-UHFFFAOYSA-N 2 0 162.236 1.091 50 0 ADAARP [NH3+][C@H]1CC[NH2+][C@H](C2CCCCC2)C1 107129078 573362564 /nfs/dbraw/zinc/36/25/64/573362564.db2.gz GJWBPFSNANHKHK-QWRGUYRKSA-N 2 0 182.311 1.646 50 0 ADAARP [NH3+][C@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1 86396951 573407077 /nfs/dbraw/zinc/40/70/77/573407077.db2.gz VWZLLYXMMPIIRJ-NWDGAFQWSA-N 2 0 190.290 1.656 50 0 ADAARP Cc1cc(N)[nH+]cc1C1CC[NH2+]CC1 238456949 573601536 /nfs/dbraw/zinc/60/15/36/573601536.db2.gz RTFMPTIYXNPCEX-UHFFFAOYSA-N 2 0 191.278 1.439 50 0 ADAARP C[C@@H]([NH3+])C[C@H]1CCCC[N@@H+]1C 107948050 573671202 /nfs/dbraw/zinc/67/12/02/573671202.db2.gz IHWRCCVYUBWINU-RKDXNWHRSA-N 2 0 156.273 1.208 50 0 ADAARP C[C@H]([NH3+])C[C@H]1CCCC[N@@H+]1C 107948047 573672657 /nfs/dbraw/zinc/67/26/57/573672657.db2.gz IHWRCCVYUBWINU-DTWKUNHWSA-N 2 0 156.273 1.208 50 0 ADAARP C[C@H]([NH3+])C[C@@H]1CCCC[N@@H+]1C 107948041 573672702 /nfs/dbraw/zinc/67/27/02/573672702.db2.gz IHWRCCVYUBWINU-IUCAKERBSA-N 2 0 156.273 1.208 50 0 ADAARP C[C@@H]([NH3+])C[C@@H]1CCCC[N@@H+]1C 107948045 573674608 /nfs/dbraw/zinc/67/46/08/573674608.db2.gz IHWRCCVYUBWINU-BDAKNGLRSA-N 2 0 156.273 1.208 50 0 ADAARP [NH3+][C@@H]1CCC[NH2+][C@@H]1C1CCCCC1 84343823 573843255 /nfs/dbraw/zinc/84/32/55/573843255.db2.gz GFMSRLFQVPVUHZ-GHMZBOCLSA-N 2 0 182.311 1.646 50 0 ADAARP COc1ccc([C@@H]([NH3+])CC[NH3+])cc1 78212135 573843713 /nfs/dbraw/zinc/84/37/13/573843713.db2.gz FNIMSVNZPYBSLE-JTQLQIEISA-N 2 0 180.251 1.044 50 0 ADAARP C[N@H+]1C[C@@]23CCCC[C@@]2(C[NH2+]C3)C1 757124058 582457631 /nfs/dbraw/zinc/45/76/31/582457631.db2.gz YKVXAFFLHSCSTB-PHIMTYICSA-N 2 0 180.295 1.082 50 0 ADAARP [NH3+]C[C@@H]1C[NH2+]C[C@H](C2CCCCC2)C1 757207716 582472514 /nfs/dbraw/zinc/47/25/14/582472514.db2.gz BYUPCOKRAMNPHI-ZYHUDNBSSA-N 2 0 196.338 1.751 50 0 ADAARP [NH3+]C[C@H]1C[NH2+]C[C@@H](C2CCCCC2)C1 757207679 582472534 /nfs/dbraw/zinc/47/25/34/582472534.db2.gz BYUPCOKRAMNPHI-JQWIXIFHSA-N 2 0 196.338 1.751 50 0 ADAARP [NH3+]C[C@@H]1C[NH2+]C[C@@H](C2CCCCC2)C1 757207682 582472551 /nfs/dbraw/zinc/47/25/51/582472551.db2.gz BYUPCOKRAMNPHI-PWSUYJOCSA-N 2 0 196.338 1.751 50 0 ADAARP [NH3+]C[C@H]1C[NH2+]C[C@H](C2CCCCC2)C1 757207551 582472580 /nfs/dbraw/zinc/47/25/80/582472580.db2.gz BYUPCOKRAMNPHI-CMPLNLGQSA-N 2 0 196.338 1.751 50 0 ADAARP [NH3+]C[C@@H]1CC[NH2+][C@H](C2CCCCC2)C1 757210996 582950711 /nfs/dbraw/zinc/95/07/11/582950711.db2.gz ILTYNPWEPVPMKC-PWSUYJOCSA-N 2 0 196.338 1.894 50 0 ADAARP C[C@@H]1C[C@H](C2CCCCC2)[NH2+]C[C@H]1[NH3+] 757211868 582950904 /nfs/dbraw/zinc/95/09/04/582950904.db2.gz KLEMZLQCOSMVMW-YUSALJHKSA-N 2 0 196.338 1.892 50 0 ADAARP [NH3+]C[C@H]1CC[NH2+][C@@H](C2CCCCC2)C1 757210986 582950919 /nfs/dbraw/zinc/95/09/19/582950919.db2.gz ILTYNPWEPVPMKC-CMPLNLGQSA-N 2 0 196.338 1.894 50 0 ADAARP [NH3+][C@H]1CC[C@H](C2CCCCC2)[NH2+]C1 757208848 582951102 /nfs/dbraw/zinc/95/11/02/582951102.db2.gz DZODFLCTGDHQGY-WDEREUQCSA-N 2 0 182.311 1.646 50 0 ADAARP [NH3+]C[C@@H]1CC[NH2+][C@@H](C2CCCCC2)C1 757210999 582951179 /nfs/dbraw/zinc/95/11/79/582951179.db2.gz ILTYNPWEPVPMKC-ZYHUDNBSSA-N 2 0 196.338 1.894 50 0 ADAARP [NH3+]C[C@H]1CC[NH2+][C@H](C2CCCCC2)C1 757210995 582951313 /nfs/dbraw/zinc/95/13/13/582951313.db2.gz ILTYNPWEPVPMKC-JQWIXIFHSA-N 2 0 196.338 1.894 50 0 ADAARP [NH3+][C@H]1CC[C@@H](C2CCCCC2)[NH2+]C1 757208846 582951474 /nfs/dbraw/zinc/95/14/74/582951474.db2.gz DZODFLCTGDHQGY-QWRGUYRKSA-N 2 0 182.311 1.646 50 0 ADAARP C[C@@H]1CC[NH2+][C@@H](C2CCCCC2)[C@@H]1[NH3+] 757214763 582951635 /nfs/dbraw/zinc/95/16/35/582951635.db2.gz UEKRERPVWAFISZ-JLLWLGSASA-N 2 0 196.338 1.892 50 0 ADAARP C[C@@H]1C[NH2+][C@@H](C2CCCCC2)[C@@H]([NH3+])C1 757213235 582951971 /nfs/dbraw/zinc/95/19/71/582951971.db2.gz PKMPQTSWWDGCCP-DLOVCJGASA-N 2 0 196.338 1.892 50 0 ADAARP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@H]1C1CCCCC1 757213832 582951989 /nfs/dbraw/zinc/95/19/89/582951989.db2.gz RDDGEYVVCMNENK-YUSALJHKSA-N 2 0 196.338 1.892 50 0 ADAARP C[C@@H]1CC[NH2+][C@H](C2CCCCC2)[C@H]1[NH3+] 757214660 582952138 /nfs/dbraw/zinc/95/21/38/582952138.db2.gz UEKRERPVWAFISZ-ADEWGFFLSA-N 2 0 196.338 1.892 50 0 ADAARP C[C@@H]1C[NH2+][C@H](C2CCCCC2)[C@H]([NH3+])C1 757213236 582952150 /nfs/dbraw/zinc/95/21/50/582952150.db2.gz PKMPQTSWWDGCCP-MVWJERBFSA-N 2 0 196.338 1.892 50 0 ADAARP C[C@@H]1CC[NH2+][C@@H](C2CCCCC2)[C@H]1[NH3+] 757214831 582952159 /nfs/dbraw/zinc/95/21/59/582952159.db2.gz UEKRERPVWAFISZ-USWWRNFRSA-N 2 0 196.338 1.892 50 0 ADAARP C[C@@H]1C[NH2+][C@@H](C2CCCCC2)[C@H]([NH3+])C1 757213237 582952164 /nfs/dbraw/zinc/95/21/64/582952164.db2.gz PKMPQTSWWDGCCP-WCQGTBRESA-N 2 0 196.338 1.892 50 0 ADAARP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@@H]1C1CCCCC1 757213827 582952175 /nfs/dbraw/zinc/95/21/75/582952175.db2.gz RDDGEYVVCMNENK-JLLWLGSASA-N 2 0 196.338 1.892 50 0 ADAARP C[C@@H]1C[NH2+][C@H](C2CCCCC2)[C@@H]([NH3+])C1 757213238 582952209 /nfs/dbraw/zinc/95/22/09/582952209.db2.gz PKMPQTSWWDGCCP-ZMLRMANQSA-N 2 0 196.338 1.892 50 0 ADAARP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@@H]1C1CCCCC1 757213829 582952351 /nfs/dbraw/zinc/95/23/51/582952351.db2.gz RDDGEYVVCMNENK-USWWRNFRSA-N 2 0 196.338 1.892 50 0 ADAARP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@H]1C1CCCCC1 757213825 582952472 /nfs/dbraw/zinc/95/24/72/582952472.db2.gz RDDGEYVVCMNENK-ADEWGFFLSA-N 2 0 196.338 1.892 50 0 ADAARP C[C@@H]1CC[NH2+][C@H](C2CCCCC2)[C@@H]1[NH3+] 757214834 582952638 /nfs/dbraw/zinc/95/26/38/582952638.db2.gz UEKRERPVWAFISZ-YUSALJHKSA-N 2 0 196.338 1.892 50 0 ADAARP [NH3+][C@@H]1C[NH2+]C[C@@H](C2CCCCC2)C1 757215649 582952897 /nfs/dbraw/zinc/95/28/97/582952897.db2.gz WNLISJRBPFNPTK-QWRGUYRKSA-N 2 0 182.311 1.504 50 0 ADAARP [NH3+][C@H]1C[NH2+]C[C@H](C2CCCCC2)C1 757215644 582952913 /nfs/dbraw/zinc/95/29/13/582952913.db2.gz WNLISJRBPFNPTK-GHMZBOCLSA-N 2 0 182.311 1.504 50 0 ADAARP [NH3+][C@H]1C[NH2+]C[C@@H](C2CCCCC2)C1 757215650 582953022 /nfs/dbraw/zinc/95/30/22/582953022.db2.gz WNLISJRBPFNPTK-WDEREUQCSA-N 2 0 182.311 1.504 50 0 ADAARP [NH3+][C@@H]1C[NH2+]C[C@H](C2CCCCC2)C1 757215648 582953583 /nfs/dbraw/zinc/95/35/83/582953583.db2.gz WNLISJRBPFNPTK-MNOVXSKESA-N 2 0 182.311 1.504 50 0 ADAARP [NH3+][C@H]1CC[NH2+]C[C@@H]1c1ccccc1 204219482 583313057 /nfs/dbraw/zinc/31/30/57/583313057.db2.gz DOJORIDZMVYZRG-MNOVXSKESA-N 2 0 176.263 1.091 50 0 ADAARP [NH3+][C@@H]1CC[NH2+]C[C@@H]1c1ccccc1 204219508 583313145 /nfs/dbraw/zinc/31/31/45/583313145.db2.gz DOJORIDZMVYZRG-GHMZBOCLSA-N 2 0 176.263 1.091 50 0 ADAARP [NH3+][C@H]1CC[NH2+]C[C@H]1c1ccccc1 204219469 583313197 /nfs/dbraw/zinc/31/31/97/583313197.db2.gz DOJORIDZMVYZRG-QWRGUYRKSA-N 2 0 176.263 1.091 50 0 ADAARP [NH3+][C@@H]1CC[NH2+]C[C@H]1c1ccccc1 204219494 583313420 /nfs/dbraw/zinc/31/34/20/583313420.db2.gz DOJORIDZMVYZRG-WDEREUQCSA-N 2 0 176.263 1.091 50 0 ADAARP [NH3+][C@@H]1CC[NH2+]C[C@H]1C1CCCCC1 211440641 583441871 /nfs/dbraw/zinc/44/18/71/583441871.db2.gz IVLCCERKOYOTDR-WDEREUQCSA-N 2 0 182.311 1.504 50 0 ADAARP [NH3+][C@H]1CC[NH2+]C[C@H]1C1CCCCC1 211440495 583441923 /nfs/dbraw/zinc/44/19/23/583441923.db2.gz IVLCCERKOYOTDR-QWRGUYRKSA-N 2 0 182.311 1.504 50 0 ADAARP [NH3+][C@@H]1CC[NH2+]C[C@@H]1C1CCCCC1 211440717 583441994 /nfs/dbraw/zinc/44/19/94/583441994.db2.gz IVLCCERKOYOTDR-GHMZBOCLSA-N 2 0 182.311 1.504 50 0 ADAARP [NH3+][C@H]1CC[NH2+]C[C@@H]1C1CCCCC1 211440570 583442341 /nfs/dbraw/zinc/44/23/41/583442341.db2.gz IVLCCERKOYOTDR-MNOVXSKESA-N 2 0 182.311 1.504 50 0 ADAARP [NH3+]C[C@@H]1CC[C@H](C2CCCCC2)[NH2+]C1 212756358 583455532 /nfs/dbraw/zinc/45/55/32/583455532.db2.gz YBWVNNXRLYRNLV-CMPLNLGQSA-N 2 0 196.338 1.894 50 0 ADAARP [NH3+]C[C@H]1CCC[NH2+][C@@H]1C1CCCCC1 212756009 583456016 /nfs/dbraw/zinc/45/60/16/583456016.db2.gz PXVOUTKVNMCHRN-VXGBXAGGSA-N 2 0 196.338 1.894 50 0 ADAARP [NH3+]C[C@H]1CC[C@H](C2CCCCC2)[NH2+]C1 212756232 583456030 /nfs/dbraw/zinc/45/60/30/583456030.db2.gz YBWVNNXRLYRNLV-ZYHUDNBSSA-N 2 0 196.338 1.894 50 0 ADAARP [NH3+]C[C@@H]1CC[C@@H](C2CCCCC2)[NH2+]C1 212756295 583456100 /nfs/dbraw/zinc/45/61/00/583456100.db2.gz YBWVNNXRLYRNLV-JQWIXIFHSA-N 2 0 196.338 1.894 50 0 ADAARP [NH3+]C[C@H]1CC[C@@H](C2CCCCC2)[NH2+]C1 212756175 583456143 /nfs/dbraw/zinc/45/61/43/583456143.db2.gz YBWVNNXRLYRNLV-PWSUYJOCSA-N 2 0 196.338 1.894 50 0 ADAARP [NH3+][C@@H]1C[NH2+]CC[C@@H]1C1CCCCC1 214315601 583461612 /nfs/dbraw/zinc/46/16/12/583461612.db2.gz FILXCXWRYGLWJU-GHMZBOCLSA-N 2 0 182.311 1.504 50 0 ADAARP [NH3+][C@H]1C[NH2+]CC[C@@H]1C1CCCCC1 214315489 583461627 /nfs/dbraw/zinc/46/16/27/583461627.db2.gz FILXCXWRYGLWJU-MNOVXSKESA-N 2 0 182.311 1.504 50 0 ADAARP [NH3+][C@H]1C[NH2+]CC[C@H]1C1CCCCC1 214315431 583462288 /nfs/dbraw/zinc/46/22/88/583462288.db2.gz FILXCXWRYGLWJU-QWRGUYRKSA-N 2 0 182.311 1.504 50 0 ADAARP [NH3+][C@@H]1C[NH2+]CC[C@H]1C1CCCCC1 214315542 583462366 /nfs/dbraw/zinc/46/23/66/583462366.db2.gz FILXCXWRYGLWJU-WDEREUQCSA-N 2 0 182.311 1.504 50 0 ADAARP CC1([NH+]2CCCC2)CC[NH2+]CC1 141461912 490056881 /nfs/dbraw/zinc/05/68/81/490056881.db2.gz VLZSQQMKOKWEFT-UHFFFAOYSA-N 2 0 168.284 1.224 50 0 ADAARP CCCC[N@H+](C)C1CC[NH2+]CC1 19427635 491020974 /nfs/dbraw/zinc/02/09/74/491020974.db2.gz HALSQPWSSSCPGH-UHFFFAOYSA-N 2 0 170.300 1.470 50 0 ADAARP [NH3+]C[C@@H]1CCC[NH2+][C@H]1C1CCCCC1 238560401 697708739 /nfs/dbraw/zinc/70/87/39/697708739.db2.gz PXVOUTKVNMCHRN-RYUDHWBXSA-N 2 0 196.338 1.894 50 0 ADAARP C[C@H]1CCC[C@H](CC[NH+](C)C)[NH2+]1 307335169 325641033 /nfs/dbraw/zinc/64/10/33/325641033.db2.gz CFQFKQJQJSLRMN-VHSXEESVSA-N 2 0 170.300 1.469 50 0 ADAARP C[NH2+]CCCC[NH2+]C[C@H]1C[C@@H]1C 167565451 325625722 /nfs/dbraw/zinc/62/57/22/325625722.db2.gz QRVYPWDPWFXDQE-VHSXEESVSA-N 2 0 170.300 1.232 50 0 ADAARP [NH3+]C1CCN(c2cc[nH+]cc2)CC1 12953688 132182446 /nfs/dbraw/zinc/18/24/46/132182446.db2.gz BTDZSVPICJLNIN-UHFFFAOYSA-N 2 0 177.251 1.009 50 0 in-vitro ADAARP C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 36960303 132188587 /nfs/dbraw/zinc/18/85/87/132188587.db2.gz TVWJOMGXJWDIQA-UHFFFAOYSA-N 2 0 191.278 1.270 50 0 in-vitro ADAARP [NH3+]CC1CCN(c2cc[nH+]cc2)CC1 39074955 132189362 /nfs/dbraw/zinc/18/93/62/132189362.db2.gz JVTMDVFGRFFOOB-UHFFFAOYSA-N 2 0 191.278 1.257 50 0 in-vitro ADAARP [NH3+]C[C@H]1CCCN(c2ccccn2)C1 39570915 132190131 /nfs/dbraw/zinc/19/01/31/132190131.db2.gz MJGYATLGOQZTND-SNVBAGLBSA-N 2 0 191.278 1.257 50 0 ADAARP [NH3+]C[C@@H]1CCCN(c2ccccn2)C1 39570916 132190229 /nfs/dbraw/zinc/19/02/29/132190229.db2.gz MJGYATLGOQZTND-JTQLQIEISA-N 2 0 191.278 1.257 50 0 ADAARP C[NH+]1C(C)(C)CC([NH3+])CC1(C)C 66134 342925391 /nfs/dbraw/zinc/92/53/91/342925391.db2.gz CGXOAAMIQPDTPE-UHFFFAOYSA-N 2 0 170.300 1.597 50 0 ADAARP C[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 299464 342933305 /nfs/dbraw/zinc/93/33/05/342933305.db2.gz HOMQMBUOTAUPAK-JTQLQIEISA-N 2 0 182.311 1.470 50 0 in-vitro ADAARP C[NH+](C)CCCCCC[NH+](C)C 1532194 342946652 /nfs/dbraw/zinc/94/66/52/342946652.db2.gz TXXWBTOATXBWDR-UHFFFAOYSA-N 2 0 172.316 1.670 50 0 in-vitro ADAARP C[NH+](C)CCC[NH2+]C1CCCCC1 1842012 342964998 /nfs/dbraw/zinc/96/49/98/342964998.db2.gz NLJGWGDUZPHZQK-UHFFFAOYSA-N 2 0 184.327 1.860 50 0 ADAARP C[C@H]1CCC[N@H+](CCC[NH3+])C1 2013388 342966482 /nfs/dbraw/zinc/96/64/82/342966482.db2.gz ADIQUBKLXXCKLT-VIFPVBQESA-N 2 0 156.273 1.067 50 0 in-vitro ADAARP Cn1cccc1CNCCC[NH+](C)C 2178158 342970791 /nfs/dbraw/zinc/97/07/91/342970791.db2.gz MVFOAPZCLSLCCK-UHFFFAOYSA-N 2 0 195.310 1.066 50 0 ADAARP C[C@H]1CCC[C@H](C)[NH+]1CCC[NH3+] 4299023 342990367 /nfs/dbraw/zinc/99/03/67/342990367.db2.gz GHJFLCNNVJBMEX-UWVGGRQHSA-N 2 0 170.300 1.598 50 0 in-vitro ADAARP CCC1CC[NH+](CCC[NH3+])CC1 4298903 342990388 /nfs/dbraw/zinc/99/03/88/342990388.db2.gz CAPDDDRYILOSRS-UHFFFAOYSA-N 2 0 170.300 1.457 50 0 in-vitro ADAARP C[NH+]1CCC(C2CC[NH2+]CC2)CC1 4312778 342990402 /nfs/dbraw/zinc/99/04/02/342990402.db2.gz UKWJATKQEKITFM-UHFFFAOYSA-N 2 0 182.311 1.328 50 0 in-vitro ADAARP C[NH2+]CC1CC[NH+](C(C)C)CC1 4384304 342991592 /nfs/dbraw/zinc/99/15/92/342991592.db2.gz PFFLQCTXCLXCHH-UHFFFAOYSA-N 2 0 170.300 1.326 50 0 in-vitro ADAARP C[C@H]1C[C@H]([NH+](C)C)[C@H](C)C[N@@H+]1C 4837127 342996508 /nfs/dbraw/zinc/99/65/08/342996508.db2.gz YTSOCSSFMLFCRS-UTLUCORTSA-N 2 0 170.300 1.277 50 0 ADAARP C[N@@H+]1CC[C@H]([NH3+])[C@H]2CCCC[C@@H]21 4342936 342990940 /nfs/dbraw/zinc/99/09/40/342990940.db2.gz BLYUFWSKCMEZSN-UTLUCORTSA-N 2 0 168.284 1.208 50 0 ADAARP C[NH2+]CCC[NH2+]Cc1ccc(C)s1 8551022 343018752 /nfs/dbraw/zinc/01/87/52/343018752.db2.gz CKUWINZQJWYOHV-UHFFFAOYSA-N 2 0 198.335 1.756 50 0 ADAARP CC[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 12404778 343030866 /nfs/dbraw/zinc/03/08/66/343030866.db2.gz UXHLFFAPGDGJKW-IUCAKERBSA-N 2 0 156.273 1.066 50 0 ADAARP C[N@H+](CCC[NH3+])C1CCCC1 13483671 343035204 /nfs/dbraw/zinc/03/52/04/343035204.db2.gz UZUGLJYLQAJFML-UHFFFAOYSA-N 2 0 156.273 1.210 50 0 in-vitro ADAARP CC(C)[N@H+](C)C1CC[NH2+]CC1 19432587 343055231 /nfs/dbraw/zinc/05/52/31/343055231.db2.gz GATDBLAWLPINOT-UHFFFAOYSA-N 2 0 156.273 1.079 50 0 in-vitro ADAARP CC1CC[NH+](CCCC(N)=[NH2+])CC1 19485938 343056072 /nfs/dbraw/zinc/05/60/72/343056072.db2.gz OOAZJTZZJCGHJW-UHFFFAOYSA-N 2 0 183.299 1.434 50 0 ADAARP C[C@H]1CCC[N@H+](CCCC(N)=[NH2+])C1 19514019 343057256 /nfs/dbraw/zinc/05/72/56/343057256.db2.gz MTPUORXKRXZQGH-VIFPVBQESA-N 2 0 183.299 1.434 50 0 in-vitro ADAARP CCCC[NH2+]C1CC[NH+](CC)CC1 19906927 343064266 /nfs/dbraw/zinc/06/42/66/343064266.db2.gz LNDZHXVMNROPGQ-UHFFFAOYSA-N 2 0 184.327 1.860 50 0 ADAARP CC(C)[N@H+](C)Cc1ccccc1C[NH3+] 20284072 343071390 /nfs/dbraw/zinc/07/13/90/343071390.db2.gz CULZEINBSCZKPS-UHFFFAOYSA-N 2 0 192.306 1.986 50 0 ADAARP C[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 21949654 343075953 /nfs/dbraw/zinc/07/59/53/343075953.db2.gz IHMUZVOIYBRQJI-NSHDSACASA-N 2 0 196.338 1.718 50 0 in-vitro ADAARP C[NH+](C)CC[C@H]([NH3+])C(C)(C)C 26510888 343089209 /nfs/dbraw/zinc/08/92/09/343089209.db2.gz NSDLRARBCRDPFU-QMMMGPOBSA-N 2 0 158.289 1.312 50 0 in-vitro ADAARP Cc1ccc(C)c(C[NH2+]CCC[NH3+])c1 32919772 343103926 /nfs/dbraw/zinc/10/39/26/343103926.db2.gz IJSBJOOMWMOJHR-UHFFFAOYSA-N 2 0 192.306 1.742 50 0 ADAARP Cc1ccc(C[NH2+]CCC[NH3+])cc1 32919766 343103964 /nfs/dbraw/zinc/10/39/64/343103964.db2.gz WUSFNOHQQLRSCV-UHFFFAOYSA-N 2 0 178.279 1.433 50 0 in-vitro ADAARP C[N@@H+]1C[C@@H]2C[C@H](C1)[C@@H]1CCCC[NH+]1C2 34632831 343124092 /nfs/dbraw/zinc/12/40/92/343124092.db2.gz JHVZGAIDVLLSEV-TUAOUCFPSA-N 2 0 194.322 1.422 50 0 ADAARP CC[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 34679231 343124474 /nfs/dbraw/zinc/12/44/74/343124474.db2.gz UXHLFFAPGDGJKW-DTWKUNHWSA-N 2 0 156.273 1.066 50 0 ADAARP CCCC[NH2+]CC[NH2+]CCCC 37102957 343159820 /nfs/dbraw/zinc/15/98/20/343159820.db2.gz YRGVKPIUZUOJSJ-UHFFFAOYSA-N 2 0 172.316 1.766 50 0 ADAARP C[NH2+]C1CC[NH+](C(C)(C)C)CC1 37240244 343163839 /nfs/dbraw/zinc/16/38/39/343163839.db2.gz IWMLNSGCKZEUPB-UHFFFAOYSA-N 2 0 170.300 1.469 50 0 ADAARP CC1CC[NH+](CC(C)(C)[NH3+])CC1 38202270 343185712 /nfs/dbraw/zinc/18/57/12/343185712.db2.gz QPEKEBRFZHIMMX-UHFFFAOYSA-N 2 0 170.300 1.456 50 0 in-vitro ADAARP C[NH+](C)CCCC1CC[NH2+]CC1 39278424 343209818 /nfs/dbraw/zinc/20/98/18/343209818.db2.gz PQBXNISKCYCRRG-UHFFFAOYSA-N 2 0 170.300 1.328 50 0 ADAARP CC[C@H](C)[NH+]1CCC(C[NH3+])CC1 44512180 343267282 /nfs/dbraw/zinc/26/72/82/343267282.db2.gz LOAYQUZBFYOMBS-VIFPVBQESA-N 2 0 170.300 1.456 50 0 ADAARP C[N@@H+]1CC[C@@H]([NH3+])[C@@H]2CCCC[C@H]21 51144480 343289030 /nfs/dbraw/zinc/28/90/30/343289030.db2.gz BLYUFWSKCMEZSN-IVZWLZJFSA-N 2 0 168.284 1.208 50 0 ADAARP Cc1cc[nH+]c(NC[C@H]2CC[NH2+]C2)c1 57217716 343336098 /nfs/dbraw/zinc/33/60/98/343336098.db2.gz QVZYAVHAGLGAID-JTQLQIEISA-N 2 0 191.278 1.411 50 0 ADAARP C[NH2+]CCC[NH2+]Cc1ccccc1 57362406 343337200 /nfs/dbraw/zinc/33/72/00/343337200.db2.gz NRVBOBHGAXKYOL-UHFFFAOYSA-N 2 0 178.279 1.386 50 0 ADAARP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1c1ccccc1 101382892 343723643 /nfs/dbraw/zinc/72/36/43/343723643.db2.gz ARLUXCWBAJJHBT-VXGBXAGGSA-N 2 0 190.290 1.638 50 0 in-vitro ADAARP C1CC(CCC2CC[NH2+]CC2)CC[NH2+]1 1718321 166082931 /nfs/dbraw/zinc/08/29/31/166082931.db2.gz ZILQRIKYRNQQDE-UHFFFAOYSA-N 2 0 196.338 1.766 50 0 ADAARP C1CC2(CC[NH2+]1)C[C@H]2C[NH2+]CC1CC1 69792600 166084770 /nfs/dbraw/zinc/08/47/70/166084770.db2.gz GIZBKUVOYAZSDA-NSHDSACASA-N 2 0 194.322 1.376 50 0 ADAARP C1CC2(CC[NH2+]1)C[C@@H]2C[NH2+]CC1CC1 69792602 166086048 /nfs/dbraw/zinc/08/60/48/166086048.db2.gz GIZBKUVOYAZSDA-LLVKDONJSA-N 2 0 194.322 1.376 50 0 ADAARP C1CCC([NH2+]C2CC[NH2+]CC2)CC1 4312826 166088384 /nfs/dbraw/zinc/08/83/84/166088384.db2.gz HVAXYVOABONBEE-UHFFFAOYSA-N 2 0 182.311 1.661 50 0 in-vitro ADAARP C1CCC([NH2+]C2CC[NH2+]CC2)C1 4312827 166088637 /nfs/dbraw/zinc/08/86/37/166088637.db2.gz WRJYRNIARRMKLN-UHFFFAOYSA-N 2 0 168.284 1.271 50 0 in-vitro ADAARP C1CCC[NH+](C[C@H]2CCC[NH2+]C2)CC1 20270215 166088928 /nfs/dbraw/zinc/08/89/28/166088928.db2.gz PRSTVIHCTITYJE-LBPRGKRZSA-N 2 0 196.338 1.862 50 0 in-vitro ADAARP C1CCC[NH+](C2CC[NH2+]CC2)CC1 299486 166089497 /nfs/dbraw/zinc/08/94/97/166089497.db2.gz YEXWRRMPRFUMJW-UHFFFAOYSA-N 2 0 182.311 1.614 50 0 in-vitro ADAARP C1CCC[NH+](CC2CC[NH2+]CC2)CC1 21948923 166089641 /nfs/dbraw/zinc/08/96/41/166089641.db2.gz YORDNMDWCQULON-UHFFFAOYSA-N 2 0 196.338 1.862 50 0 in-vitro ADAARP C1CCC[NH+](C[C@H]2CC[NH2+]C2)CC1 42783416 166090142 /nfs/dbraw/zinc/09/01/42/166090142.db2.gz WAQBZODNXWASBP-NSHDSACASA-N 2 0 182.311 1.472 50 0 ADAARP C1CCC[NH+](C[C@@H]2CC[NH2+]C2)CC1 42783415 166090206 /nfs/dbraw/zinc/09/02/06/166090206.db2.gz WAQBZODNXWASBP-LLVKDONJSA-N 2 0 182.311 1.472 50 0 ADAARP C1CCC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 20270214 166090355 /nfs/dbraw/zinc/09/03/55/166090355.db2.gz PRSTVIHCTITYJE-GFCCVEGCSA-N 2 0 196.338 1.862 50 0 in-vitro ADAARP C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 20440462 166090621 /nfs/dbraw/zinc/09/06/21/166090621.db2.gz ZXFYBZCIHVSELR-SNVBAGLBSA-N 2 0 168.284 1.082 50 0 in-vitro ADAARP C1CC[NH+](CCCC2CC[NH2+]CC2)C1 50952250 166090787 /nfs/dbraw/zinc/09/07/87/166090787.db2.gz RSYRVTHYFRNCSH-UHFFFAOYSA-N 2 0 196.338 1.862 50 0 ADAARP C1CC[NH+](C2CC[NH2+]CC2)CC1 388302 166090799 /nfs/dbraw/zinc/09/07/99/166090799.db2.gz QDVBKXJMLILLLB-UHFFFAOYSA-N 2 0 168.284 1.224 50 0 in-vivo ADAARP C1CC[C@@H]([C@@H]2CCCC[NH2+]2)[NH2+]C1 91307021 166090910 /nfs/dbraw/zinc/09/09/10/166090910.db2.gz CLBJZAWCBRAMRZ-UWVGGRQHSA-N 2 0 168.284 1.271 50 0 in-vitro ADAARP C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 34449427 166091021 /nfs/dbraw/zinc/09/10/21/166091021.db2.gz UWFRCXKCOKNPMS-LBPRGKRZSA-N 2 0 196.338 1.862 50 0 in-vitro ADAARP C1CC[NH+](C[C@H]2CC23CC[NH2+]CC3)C1 69792428 166091122 /nfs/dbraw/zinc/09/11/22/166091122.db2.gz VITIJKKTCHZVFH-LLVKDONJSA-N 2 0 194.322 1.472 50 0 in-vitro ADAARP C1CC[NH+](CCC2CC[NH2+]CC2)C1 1655610 166091144 /nfs/dbraw/zinc/09/11/44/166091144.db2.gz LLCRHLSCWWMNEC-UHFFFAOYSA-N 2 0 182.311 1.472 50 0 in-vitro ADAARP C1CC[N@@H+]2C[C@@H]3C[NH2+]C[C@@H](C3)[C@@H]2C1 32251827 166091150 /nfs/dbraw/zinc/09/11/50/166091150.db2.gz XJIDULRGKIKAHC-AXFHLTTASA-N 2 0 180.295 1.080 50 0 ADAARP C1CC[C@@H]([NH+]2CCCC2)C[NH2+]C1 19947673 166091159 /nfs/dbraw/zinc/09/11/59/166091159.db2.gz WAEIGZMDLGOBLR-SNVBAGLBSA-N 2 0 168.284 1.224 50 0 in-vitro ADAARP C1CC[C@@H]([C@H]2CCCC[NH2+]2)[NH2+]C1 21302758 166091306 /nfs/dbraw/zinc/09/13/06/166091306.db2.gz CLBJZAWCBRAMRZ-AOOOYVTPSA-N 2 0 168.284 1.271 50 0 in-vitro ADAARP C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 20440466 166091535 /nfs/dbraw/zinc/09/15/35/166091535.db2.gz ZXFYBZCIHVSELR-JTQLQIEISA-N 2 0 168.284 1.082 50 0 in-vitro ADAARP C1CC[NH+](C2C[C@@H]3CC[C@H](C2)[NH2+]3)C1 14629105 166091683 /nfs/dbraw/zinc/09/16/83/166091683.db2.gz OIKXCXXVIKMIJX-ZACCUICWSA-N 2 0 180.295 1.365 50 0 in-vitro ADAARP C1CC[NH+](C[C@@H]2CC23CC[NH2+]CC3)C1 69792427 166091885 /nfs/dbraw/zinc/09/18/85/166091885.db2.gz VITIJKKTCHZVFH-NSHDSACASA-N 2 0 194.322 1.472 50 0 in-vitro ADAARP C1CC[NH2+][C@@H]([C@H]2CCC[NH2+]C2)CC1 12357046 166091985 /nfs/dbraw/zinc/09/19/85/166091985.db2.gz NILYFVLXUNTUTG-WDEREUQCSA-N 2 0 182.311 1.518 50 0 ADAARP C1CC[NH2+][C@H]([C@H]2CCC[NH2+]C2)CC1 12357047 166091987 /nfs/dbraw/zinc/09/19/87/166091987.db2.gz NILYFVLXUNTUTG-QWRGUYRKSA-N 2 0 182.311 1.518 50 0 ADAARP C1CC[NH+](CCC2CC[NH2+]CC2)CC1 1655609 166091994 /nfs/dbraw/zinc/09/19/94/166091994.db2.gz FKYVHDSPGMMDFF-UHFFFAOYSA-N 2 0 196.338 1.862 50 0 in-vitro ADAARP C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 34449429 166092050 /nfs/dbraw/zinc/09/20/50/166092050.db2.gz UWFRCXKCOKNPMS-GFCCVEGCSA-N 2 0 196.338 1.862 50 0 in-vitro ADAARP C1CC[NH+](C2C[C@@H]3CC[C@H](C2)[NH2+]3)CC1 14629098 166092061 /nfs/dbraw/zinc/09/20/61/166092061.db2.gz MTYCQQIZRUSGHR-FOSCPWQOSA-N 2 0 194.322 1.755 50 0 ADAARP C1CC[NH2+][C@H]([C@@H]2CCC[NH2+]C2)CC1 12357045 166092064 /nfs/dbraw/zinc/09/20/64/166092064.db2.gz NILYFVLXUNTUTG-MNOVXSKESA-N 2 0 182.311 1.518 50 0 ADAARP C1CC[C@@H](CC[NH+]2CCCC2)[NH2+]C1 2048665 166092067 /nfs/dbraw/zinc/09/20/67/166092067.db2.gz JVSMUMJQZBRHHK-NSHDSACASA-N 2 0 182.311 1.614 50 0 in-vitro ADAARP C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 16124095 166092146 /nfs/dbraw/zinc/09/21/46/166092146.db2.gz RJGUFVISCJPEBP-NSHDSACASA-N 2 0 182.311 1.472 50 0 in-vitro ADAARP C1CC[NH+](CC2CC[NH2+]CC2)CC1 11953314 166092156 /nfs/dbraw/zinc/09/21/56/166092156.db2.gz KQUQJHZJTWYGAQ-UHFFFAOYSA-N 2 0 182.311 1.472 50 0 ADAARP C1CC[NH2+][C@@H]([C@@H]2CCC[NH2+]C2)CC1 12357044 166092493 /nfs/dbraw/zinc/09/24/93/166092493.db2.gz NILYFVLXUNTUTG-GHMZBOCLSA-N 2 0 182.311 1.518 50 0 ADAARP C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 16124093 166092730 /nfs/dbraw/zinc/09/27/30/166092730.db2.gz RJGUFVISCJPEBP-LLVKDONJSA-N 2 0 182.311 1.472 50 0 in-vitro ADAARP C1CC[NH+](CC2CC[NH2+]CC2)C1 11953310 166092891 /nfs/dbraw/zinc/09/28/91/166092891.db2.gz NMCMCSHJONWGMS-UHFFFAOYSA-N 2 0 168.284 1.082 50 0 in-vitro ADAARP C1CC[C@H]([NH+]2CCCC2)C[NH2+]C1 19947678 166094428 /nfs/dbraw/zinc/09/44/28/166094428.db2.gz WAEIGZMDLGOBLR-JTQLQIEISA-N 2 0 168.284 1.224 50 0 in-vitro ADAARP C1CC[C@H](CC[NH+]2CCCC2)[NH2+]C1 1646599 166094713 /nfs/dbraw/zinc/09/47/13/166094713.db2.gz JVSMUMJQZBRHHK-LLVKDONJSA-N 2 0 182.311 1.614 50 0 in-vitro ADAARP C1CC[C@H]([C@H]2CCCC[NH2+]2)[NH2+]C1 91307023 166095095 /nfs/dbraw/zinc/09/50/95/166095095.db2.gz CLBJZAWCBRAMRZ-NXEZZACHSA-N 2 0 168.284 1.271 50 0 in-vitro ADAARP C1C[N@@H+](CC2CC2)C[C@@]2(C1)CC[NH2+]C2 72133000 166095882 /nfs/dbraw/zinc/09/58/82/166095882.db2.gz DLWWPZKVOAYCLY-LBPRGKRZSA-N 2 0 194.322 1.472 50 0 ADAARP C1C[N@@H+](CC2CC2)C[C@]2(C1)CC[NH2+]C2 72133001 166096226 /nfs/dbraw/zinc/09/62/26/166096226.db2.gz DLWWPZKVOAYCLY-GFCCVEGCSA-N 2 0 194.322 1.472 50 0 ADAARP C1C[NH2+]C[C@H](C[NH+]2CCCC2)C1 4312795 166096860 /nfs/dbraw/zinc/09/68/60/166096860.db2.gz DJMGCHHOJIKYCP-SNVBAGLBSA-N 2 0 168.284 1.082 50 0 in-vitro ADAARP C1C[NH2+][C@H]2CC[C@H]3[NH2+]CCC[C@@H]3[C@@H]2C1 44831019 166097165 /nfs/dbraw/zinc/09/71/65/166097165.db2.gz SAJIWHKJMCWNFA-BKUVIOGVSA-N 2 0 194.322 1.517 50 0 ADAARP C1C[NH2+]C[C@H](CC[NH+]2CCCC2)C1 34449435 166097632 /nfs/dbraw/zinc/09/76/32/166097632.db2.gz AHGBXHLBWUIIED-NSHDSACASA-N 2 0 182.311 1.472 50 0 ADAARP C1C[NH2+][C@H]2CC[C@H]3[NH2+]CCC[C@@H]3[C@H]2C1 44831016 166098437 /nfs/dbraw/zinc/09/84/37/166098437.db2.gz SAJIWHKJMCWNFA-KKOKHZNYSA-N 2 0 194.322 1.517 50 0 ADAARP C1C[NH2+][C@H]2CC[C@H]3[NH2+]CCC[C@H]3[C@@H]2C1 44831013 166098460 /nfs/dbraw/zinc/09/84/60/166098460.db2.gz SAJIWHKJMCWNFA-FIQHERPVSA-N 2 0 194.322 1.517 50 0 ADAARP C1C[NH2+][C@@H]2CC[C@@H]3[NH2+]CCC[C@@H]3[C@@H]2C1 44831010 166098579 /nfs/dbraw/zinc/09/85/79/166098579.db2.gz SAJIWHKJMCWNFA-IWDIQUIJSA-N 2 0 194.322 1.517 50 0 ADAARP C=C=CC[NH2+]CCCC[NH2+]CC=C=C 3874176 166152260 /nfs/dbraw/zinc/15/22/60/166152260.db2.gz IKSQCMLJDHRWOA-UHFFFAOYSA-N 2 0 192.306 1.628 50 0 in-vivo ADAARP CC(C)(C)C[NH+]1CCC(C[NH3+])CC1 11888988 166351881 /nfs/dbraw/zinc/35/18/81/166351881.db2.gz OTHUCGRRUYYIGM-UHFFFAOYSA-N 2 0 184.327 1.703 50 0 ADAARP CC(C)(C)C[NH+]1CCC([NH3+])CC1 11729459 166352207 /nfs/dbraw/zinc/35/22/07/166352207.db2.gz BJOFVKOYOSXKPD-UHFFFAOYSA-N 2 0 170.300 1.456 50 0 ADAARP CC(C)(C)C[NH2+]C1CC[NH2+]CC1 40493083 166353964 /nfs/dbraw/zinc/35/39/64/166353964.db2.gz UEPHCTSBEVCEFH-UHFFFAOYSA-N 2 0 170.300 1.374 50 0 ADAARP CC(C)(C)C[NH2+][C@H]1CC[C@H]([NH3+])CC1 255187974 166354108 /nfs/dbraw/zinc/35/41/08/166354108.db2.gz IAONNRYMDNGHSC-MGCOHNPYSA-N 2 0 184.327 1.892 50 0 ADAARP CC(C)(C)[N@@H+]1CC[C@H](C[NH3+])C1 11891444 166358888 /nfs/dbraw/zinc/35/88/88/166358888.db2.gz VEEMPJFRZBKMQS-MRVPVSSYSA-N 2 0 156.273 1.066 50 0 ADAARP CC(C)(C)[NH+]1CCC([NH3+])CC1 19440626 166359190 /nfs/dbraw/zinc/35/91/90/166359190.db2.gz SNZAIGXZGPEBGY-UHFFFAOYSA-N 2 0 156.273 1.208 50 0 in-vitro ADAARP CC(C)(C)[N@@H+]1CC[C@@H](C[NH3+])C1 11891442 166360176 /nfs/dbraw/zinc/36/01/76/166360176.db2.gz VEEMPJFRZBKMQS-QMMMGPOBSA-N 2 0 156.273 1.066 50 0 ADAARP CC(C)(C)[NH2+]CCCC[NH3+] 2039168 166362248 /nfs/dbraw/zinc/36/22/48/166362248.db2.gz JAUBXQBMUWRRNS-UHFFFAOYSA-N 2 0 144.262 1.113 50 0 ADAARP CC(C)(C)[NH2+]CC[NH2+]C(C)(C)C 38202289 166365490 /nfs/dbraw/zinc/36/54/90/166365490.db2.gz KGHYGBGIWLNFAV-UHFFFAOYSA-N 2 0 172.316 1.763 50 0 in-vitro ADAARP CC(C)(C[NH3+])C[NH+]1CCCC1 14628962 166393631 /nfs/dbraw/zinc/39/36/31/166393631.db2.gz XETCAGQZWBVYMH-UHFFFAOYSA-N 2 0 156.273 1.067 50 0 in-vitro ADAARP CC(C)(C[NH3+])C[NH+]1CCCCCC1 4287508 166394692 /nfs/dbraw/zinc/39/46/92/166394692.db2.gz SUDFIJJDSKVMSO-UHFFFAOYSA-N 2 0 184.327 1.847 50 0 in-vitro ADAARP CC(C)[NH+]1CCC(C)(C[NH3+])CC1 77264135 166519949 /nfs/dbraw/zinc/51/99/49/166519949.db2.gz GPSDHYLRMIKZLC-UHFFFAOYSA-N 2 0 170.300 1.456 50 0 ADAARP CC(C)[NH+]1CCC(CC[NH3+])CC1 19089010 166521806 /nfs/dbraw/zinc/52/18/06/166521806.db2.gz MWNKNYOIYZJMTH-UHFFFAOYSA-N 2 0 170.300 1.456 50 0 in-vitro ADAARP CC1(C)C[C@H]([NH3+])C[C@@](C)(C[NH3+])C1 388124 166689436 /nfs/dbraw/zinc/68/94/36/166689436.db2.gz RNLHGQLZWXBQNY-WCBMZHEXSA-N 2 0 170.300 1.489 50 0 in-vitro ADAARP CC1([NH3+])CCC(C(C)(C)[NH3+])CC1 155179 166706536 /nfs/dbraw/zinc/70/65/36/166706536.db2.gz KOGSPLLRMRSADR-UHFFFAOYSA-N 2 0 170.300 1.631 50 0 ADAARP CC1([NH+]2CCCCC2)CC[NH2+]CC1 16678695 166708394 /nfs/dbraw/zinc/70/83/94/166708394.db2.gz YYWYHZFXVMEZGK-UHFFFAOYSA-N 2 0 182.311 1.614 50 0 ADAARP CC1CCC([NH+]2CCC([NH3+])CC2)CC1 19477691 166747524 /nfs/dbraw/zinc/74/75/24/166747524.db2.gz AEVREEGMRWWGQX-UHFFFAOYSA-N 2 0 196.338 1.988 50 0 in-vitro ADAARP CC1CC[NH+](CCCC[NH3+])CC1 4226753 166749401 /nfs/dbraw/zinc/74/94/01/166749401.db2.gz FJNFRGONJYTZEF-UHFFFAOYSA-N 2 0 170.300 1.457 50 0 ADAARP CC1CC[NH+]([C@H]2CC[C@H]([NH3+])CC2)CC1 242687478 166751004 /nfs/dbraw/zinc/75/10/04/166751004.db2.gz UHPKEUWJTYUINL-HAQNSBGRSA-N 2 0 196.338 1.988 50 0 ADAARP CCC1(C[NH3+])CC[NH+](C(C)C)CC1 77271737 166808214 /nfs/dbraw/zinc/80/82/14/166808214.db2.gz HSDOWKKZPPLFAB-UHFFFAOYSA-N 2 0 184.327 1.846 50 0 ADAARP CCCC1CC[NH+](CCC[NH3+])CC1 4716440 166839336 /nfs/dbraw/zinc/83/93/36/166839336.db2.gz ITYNABRHECJKEX-UHFFFAOYSA-N 2 0 184.327 1.847 50 0 ADAARP CCCC[NH+]1CCC(C[NH3+])CC1 2583970 166888727 /nfs/dbraw/zinc/88/87/27/166888727.db2.gz SXSSVNBOMMHRRB-UHFFFAOYSA-N 2 0 170.300 1.457 50 0 in-vitro ADAARP CCC[NH+]1CCC(CC(N)=[NH2+])CC1 40449698 166962033 /nfs/dbraw/zinc/96/20/33/166962033.db2.gz ZYAFJYNZOJJOSE-UHFFFAOYSA-N 2 0 183.299 1.434 50 0 ADAARP CC[N@H+](C)Cc1cccc(C[NH3+])c1 37034864 167146900 /nfs/dbraw/zinc/14/69/00/167146900.db2.gz MMVYYDUAJBMSSI-UHFFFAOYSA-N 2 0 178.279 1.597 50 0 in-vitro ADAARP CC[NH+](CC)C1C[C@@H]2CC[C@H](C1)[NH2+]2 14629091 167163459 /nfs/dbraw/zinc/16/34/59/167163459.db2.gz NVTCRWFEIHAKKU-ZACCUICWSA-N 2 0 182.311 1.611 50 0 in-vitro ADAARP CC[NH+](CC)C1CCC([NH3+])CC1 1602261 167164732 /nfs/dbraw/zinc/16/47/32/167164732.db2.gz ZFWPGRUTHAZDBK-UHFFFAOYSA-N 2 0 170.300 1.598 50 0 in-vitro ADAARP CC[NH+](CC)CCCC[NH2+]C 37477869 167165112 /nfs/dbraw/zinc/16/51/12/167165112.db2.gz JSMPEGRPXGJWRD-UHFFFAOYSA-N 2 0 158.289 1.328 50 0 in-vitro ADAARP CC[NH+](CC)CCCCC[NH3+] 4226766 167165176 /nfs/dbraw/zinc/16/51/76/167165176.db2.gz JYCCKJSLUHEIDU-UHFFFAOYSA-N 2 0 158.289 1.457 50 0 in-vitro ADAARP CC[NH+](CC)CCC[C@H](C)[NH3+] 1641029 167165552 /nfs/dbraw/zinc/16/55/52/167165552.db2.gz CAPCBAYULRXQAN-VIFPVBQESA-N 2 0 158.289 1.456 50 0 ADAARP CC[NH+](CC)CC[C@@H]1CCCC[NH2+]1 6677782 167165562 /nfs/dbraw/zinc/16/55/62/167165562.db2.gz OAJBLGVEZPYPSE-NSHDSACASA-N 2 0 184.327 1.860 50 0 ADAARP CC[NH+](CC)CCCC[NH3+] 2146716 167165701 /nfs/dbraw/zinc/16/57/01/167165701.db2.gz JILXUIANNUALRZ-UHFFFAOYSA-N 2 0 144.262 1.067 50 0 in-vitro ADAARP CC[NH+](CC)CC[C@@H](C)[NH3+] 6662212 167165917 /nfs/dbraw/zinc/16/59/17/167165917.db2.gz MYILNZVZVCMGRB-MRVPVSSYSA-N 2 0 144.262 1.066 50 0 in-vitro ADAARP CC[NH+](CC)CC[C@@H]1CC[NH2+]C1 34449502 167165952 /nfs/dbraw/zinc/16/59/52/167165952.db2.gz HSLYYEYYNXRKGM-JTQLQIEISA-N 2 0 170.300 1.328 50 0 ADAARP CC[NH+](CC)CCC[C@@H](C)[NH3+] 2567983 167165991 /nfs/dbraw/zinc/16/59/91/167165991.db2.gz CAPCBAYULRXQAN-SECBINFHSA-N 2 0 158.289 1.456 50 0 ADAARP CC[NH+](CC)CC[C@H]1CCCC[NH2+]1 6677783 167166011 /nfs/dbraw/zinc/16/60/11/167166011.db2.gz OAJBLGVEZPYPSE-LLVKDONJSA-N 2 0 184.327 1.860 50 0 ADAARP CC[NH+](CC)CC[C@H]1CCC[NH2+]C1 34449512 167166089 /nfs/dbraw/zinc/16/60/89/167166089.db2.gz IKWCTQQWLWHLII-LLVKDONJSA-N 2 0 184.327 1.718 50 0 ADAARP CC[NH+](CC)CC[C@H]1CC[NH2+]C1 34449504 167166096 /nfs/dbraw/zinc/16/60/96/167166096.db2.gz HSLYYEYYNXRKGM-SNVBAGLBSA-N 2 0 170.300 1.328 50 0 ADAARP CC[NH+](CC)CCCCCC[NH3+] 4226788 167166230 /nfs/dbraw/zinc/16/62/30/167166230.db2.gz TZBFEBDATQDIHX-UHFFFAOYSA-N 2 0 172.316 1.847 50 0 ADAARP CC[NH+](CC)CCC[C@@H](C)[NH2+]C 5807589 167166545 /nfs/dbraw/zinc/16/65/45/167166545.db2.gz MKMCBDUEBALBFG-SNVBAGLBSA-N 2 0 172.316 1.716 50 0 ADAARP CC[NH+](CC)CC[C@@H]1CCC[NH2+]C1 34449510 167166995 /nfs/dbraw/zinc/16/69/95/167166995.db2.gz IKWCTQQWLWHLII-NSHDSACASA-N 2 0 184.327 1.718 50 0 ADAARP CC[NH+](CC)CCC[C@H](C)[NH2+]C 1605539 167167002 /nfs/dbraw/zinc/16/70/02/167167002.db2.gz MKMCBDUEBALBFG-JTQLQIEISA-N 2 0 172.316 1.716 50 0 ADAARP CC[NH+](CC)CCC1CC[NH2+]CC1 1655611 167167225 /nfs/dbraw/zinc/16/72/25/167167225.db2.gz LKFIRLHXHMMYGO-UHFFFAOYSA-N 2 0 184.327 1.718 50 0 ADAARP CC[NH+](CC)CC[C@H](C)[NH3+] 6662210 167167378 /nfs/dbraw/zinc/16/73/78/167167378.db2.gz MYILNZVZVCMGRB-QMMMGPOBSA-N 2 0 144.262 1.066 50 0 in-vitro ADAARP CC[NH+](CC)Cc1ccccc1C[NH3+] 4218488 167168904 /nfs/dbraw/zinc/16/89/04/167168904.db2.gz CVVJKBIPNSXFSQ-UHFFFAOYSA-N 2 0 192.306 1.987 50 0 in-vitro ADAARP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH3+] 26443133 167169097 /nfs/dbraw/zinc/16/90/97/167169097.db2.gz BJHFVTGSIAZFIQ-QWRGUYRKSA-N 2 0 184.327 1.846 50 0 ADAARP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH3+] 26443143 167169298 /nfs/dbraw/zinc/16/92/98/167169298.db2.gz BJHFVTGSIAZFIQ-GHMZBOCLSA-N 2 0 184.327 1.846 50 0 ADAARP CC[NH+](CC)Cc1ccc(C[NH3+])cc1 4218343 167169604 /nfs/dbraw/zinc/16/96/04/167169604.db2.gz UYVJKNXIPRXTID-UHFFFAOYSA-N 2 0 192.306 1.987 50 0 in-vitro ADAARP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH3+] 26443140 167169878 /nfs/dbraw/zinc/16/98/78/167169878.db2.gz BJHFVTGSIAZFIQ-WDEREUQCSA-N 2 0 184.327 1.846 50 0 ADAARP CC[NH+](CC)C[C@@H]1CCC[NH2+]C1 4384341 167170115 /nfs/dbraw/zinc/17/01/15/167170115.db2.gz DOQHFNCPMZRSIA-SNVBAGLBSA-N 2 0 170.300 1.328 50 0 in-vitro ADAARP CC[NH+](CC)C[C@H]1CCC[NH2+]C1 4384342 167170240 /nfs/dbraw/zinc/17/02/40/167170240.db2.gz DOQHFNCPMZRSIA-JTQLQIEISA-N 2 0 170.300 1.328 50 0 in-vitro ADAARP CC[NH+](CC)Cc1cccc(C[NH3+])c1 20284092 167171025 /nfs/dbraw/zinc/17/10/25/167171025.db2.gz VMRIINWHXFWDNE-UHFFFAOYSA-N 2 0 192.306 1.987 50 0 in-vitro ADAARP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH3+] 26443137 167171246 /nfs/dbraw/zinc/17/12/46/167171246.db2.gz BJHFVTGSIAZFIQ-MNOVXSKESA-N 2 0 184.327 1.846 50 0 ADAARP CC[NH+](CC)[C@H]1CC[C@@H]([NH3+])C1 71495598 167171894 /nfs/dbraw/zinc/17/18/94/167171894.db2.gz PSIUBKLOGMHXIS-BDAKNGLRSA-N 2 0 156.273 1.208 50 0 ADAARP CC[NH+](CC)[C@H]1CC[C@H]([NH3+])C1 71495596 167172035 /nfs/dbraw/zinc/17/20/35/167172035.db2.gz PSIUBKLOGMHXIS-IUCAKERBSA-N 2 0 156.273 1.208 50 0 ADAARP CC[NH+](CC)[C@@H]1CC[C@H]([NH3+])C1 71495595 167172502 /nfs/dbraw/zinc/17/25/02/167172502.db2.gz PSIUBKLOGMHXIS-DTWKUNHWSA-N 2 0 156.273 1.208 50 0 ADAARP CC[NH+](CC)[C@@H]1CC[C@@H]([NH3+])C1 71495597 167173663 /nfs/dbraw/zinc/17/36/63/167173663.db2.gz PSIUBKLOGMHXIS-RKDXNWHRSA-N 2 0 156.273 1.208 50 0 ADAARP CC[N@H+](CCC[NH3+])Cc1ccccc1 54969028 167178599 /nfs/dbraw/zinc/17/85/99/167178599.db2.gz VBARFWGILFILHY-UHFFFAOYSA-N 2 0 192.306 1.857 50 0 ADAARP CC[N@H+](CCC[NH3+])C1CCCCC1 22166842 167181926 /nfs/dbraw/zinc/18/19/26/167181926.db2.gz LDCBRUHKFZSXKE-UHFFFAOYSA-N 2 0 184.327 1.990 50 0 ADAARP CC[NH+]1CCC(CC[NH3+])CC1 15635460 167200338 /nfs/dbraw/zinc/20/03/38/167200338.db2.gz UXANJKWCNDPIDE-UHFFFAOYSA-N 2 0 156.273 1.067 50 0 in-vitro ADAARP CC[NH+]1CCC([C@H](C)[NH3+])CC1 37208391 167201530 /nfs/dbraw/zinc/20/15/30/167201530.db2.gz AAVFYQULCROZCP-QMMMGPOBSA-N 2 0 156.273 1.066 50 0 ADAARP CC[NH+]1CCC([C@@H](C)[NH3+])CC1 37208390 167202497 /nfs/dbraw/zinc/20/24/97/167202497.db2.gz AAVFYQULCROZCP-MRVPVSSYSA-N 2 0 156.273 1.066 50 0 ADAARP CC[NH+]1CCC2(CCC[NH2+]C2)CC1 49584910 167202735 /nfs/dbraw/zinc/20/27/35/167202735.db2.gz NTLOBCCYUKSOHP-UHFFFAOYSA-N 2 0 182.311 1.472 50 0 in-vitro ADAARP CC[NH+]1CCC2(CC[NH2+]C2)CC1 47218704 167204220 /nfs/dbraw/zinc/20/42/20/167204220.db2.gz LBJYTUPXMFMNOK-UHFFFAOYSA-N 2 0 168.284 1.082 50 0 ADAARP CC[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 20418065 167207435 /nfs/dbraw/zinc/20/74/35/167207435.db2.gz VBSFDWZWDAXBML-LLVKDONJSA-N 2 0 182.311 1.472 50 0 in-vitro ADAARP CC[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 20418068 167209707 /nfs/dbraw/zinc/20/97/07/167209707.db2.gz VBSFDWZWDAXBML-NSHDSACASA-N 2 0 182.311 1.472 50 0 in-vitro ADAARP CC[N@@H+]1CC[C@@H]([NH2+]C)C[C@@H]1C 49708962 167218425 /nfs/dbraw/zinc/21/84/25/167218425.db2.gz OODJAHIXUDRTEC-DTWKUNHWSA-N 2 0 156.273 1.079 50 0 in-vitro ADAARP CC[N@@H+]1CC[C@@H]([NH2+]C)C[C@H]1C 101423447 167220789 /nfs/dbraw/zinc/22/07/89/167220789.db2.gz OODJAHIXUDRTEC-RKDXNWHRSA-N 2 0 156.273 1.079 50 0 in-vitro ADAARP CC[N@@H+]1CC[C@H]([NH2+]C)C[C@@H]1C 49708960 167223582 /nfs/dbraw/zinc/22/35/82/167223582.db2.gz OODJAHIXUDRTEC-IUCAKERBSA-N 2 0 156.273 1.079 50 0 in-vitro ADAARP CC[N@@H+]1CC[C@H]([NH2+]C)C[C@H]1C 101423450 167224202 /nfs/dbraw/zinc/22/42/02/167224202.db2.gz OODJAHIXUDRTEC-BDAKNGLRSA-N 2 0 156.273 1.079 50 0 in-vitro ADAARP CC[N@H+]1C[C@]2(C)C[NH2+]C[C@](C)(C1)C2 14000963 167229054 /nfs/dbraw/zinc/22/90/54/167229054.db2.gz IQSHXHMFRKXLIU-PHIMTYICSA-N 2 0 182.311 1.328 50 0 ADAARP CC[NH2+]C1CCC([NH2+]CC)CC1 8465008 167259667 /nfs/dbraw/zinc/25/96/67/167259667.db2.gz CUIZUYYYLYCCKX-UHFFFAOYSA-N 2 0 170.300 1.517 50 0 ADAARP CC[NH2+]CCC[NH+]1CCCC1 19736961 167260923 /nfs/dbraw/zinc/26/09/23/167260923.db2.gz QBXOEDRXHFFODI-UHFFFAOYSA-N 2 0 156.273 1.082 50 0 in-vitro ADAARP CC[NH2+]CCCC1CC[NH2+]CC1 50952913 167261283 /nfs/dbraw/zinc/26/12/83/167261283.db2.gz PITIDLARLFISKV-UHFFFAOYSA-N 2 0 170.300 1.376 50 0 ADAARP CC[NH2+]CCC[NH2+]Cc1ccccc1 13734749 167261539 /nfs/dbraw/zinc/26/15/39/167261539.db2.gz JUKWGSHQJBRVCU-UHFFFAOYSA-N 2 0 192.306 1.776 50 0 ADAARP CC[NH2+]CCC[NH+]1CCCCC1 19736953 167262175 /nfs/dbraw/zinc/26/21/75/167262175.db2.gz CKXMWBUYZGXMHR-UHFFFAOYSA-N 2 0 170.300 1.472 50 0 ADAARP CC[NH2+]CCCCCC[NH2+]CC 1655627 167262357 /nfs/dbraw/zinc/26/23/57/167262357.db2.gz LDQWVRMGQLAWMN-UHFFFAOYSA-N 2 0 172.316 1.766 50 0 in-vitro ADAARP CC[NH2+]CCC[NH+]1CCC(C)CC1 19736960 167262366 /nfs/dbraw/zinc/26/23/66/167262366.db2.gz TZQWHHGMSDUZAJ-UHFFFAOYSA-N 2 0 184.327 1.718 50 0 in-vitro ADAARP CC[NH2+]CCC[NH2+]C(C)(C)C 19736952 167262443 /nfs/dbraw/zinc/26/24/43/167262443.db2.gz WABQHCAIVKPFLV-UHFFFAOYSA-N 2 0 158.289 1.374 50 0 in-vitro ADAARP CC[NH2+]CCC[NH+]1CCCCCC1 19736958 167262592 /nfs/dbraw/zinc/26/25/92/167262592.db2.gz XWHMZYAYEFBPJQ-UHFFFAOYSA-N 2 0 184.327 1.862 50 0 in-vitro ADAARP CC[NH2+]CCC[NH2+][C@H](C)CC 19737017 167262850 /nfs/dbraw/zinc/26/28/50/167262850.db2.gz PYGQKPWPZIYBKM-SECBINFHSA-N 2 0 158.289 1.374 50 0 ADAARP CC[NH2+]CCC[NH2+]C1CCCCC1 19736974 167263224 /nfs/dbraw/zinc/26/32/24/167263224.db2.gz YOFALYLASSEFDO-UHFFFAOYSA-N 2 0 184.327 1.908 50 0 ADAARP CC[NH2+]CCC[NH2+][C@@H](C)CC 19737016 167263231 /nfs/dbraw/zinc/26/32/31/167263231.db2.gz PYGQKPWPZIYBKM-VIFPVBQESA-N 2 0 158.289 1.374 50 0 ADAARP CC[NH2+]CCC[NH+](CC)CC 19736946 167264031 /nfs/dbraw/zinc/26/40/31/167264031.db2.gz BIESSHWVDLDLJM-UHFFFAOYSA-N 2 0 158.289 1.328 50 0 in-vitro ADAARP CC[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 75847967 167272047 /nfs/dbraw/zinc/27/20/47/167272047.db2.gz KETNNVWOJGXDOH-RYUDHWBXSA-N 2 0 196.338 1.860 50 0 ADAARP CC[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 72323937 167272496 /nfs/dbraw/zinc/27/24/96/167272496.db2.gz KETNNVWOJGXDOH-NWDGAFQWSA-N 2 0 196.338 1.860 50 0 biogenic ADAARP CC[NH2+]C[C@H]1CCC[N@@H+]2CCCC[C@@H]12 170622845 167273812 /nfs/dbraw/zinc/27/38/12/167273812.db2.gz KETNNVWOJGXDOH-NEPJUHHUSA-N 2 0 196.338 1.860 50 0 ADAARP CC[NH2+]Cc1ccc(C[NH+](C)C)cc1 20216493 167274755 /nfs/dbraw/zinc/27/47/55/167274755.db2.gz YRIUBFPRWAORJI-UHFFFAOYSA-N 2 0 192.306 1.858 50 0 in-vitro ADAARP CC[NH2+]C[C@H]1CCC[N@@H+]2CCCC[C@H]12 85389431 167275427 /nfs/dbraw/zinc/27/54/27/167275427.db2.gz KETNNVWOJGXDOH-VXGBXAGGSA-N 2 0 196.338 1.860 50 0 ADAARP CC[C@@H](C)[NH+]1CCC(C[NH3+])CC1 44512178 167466507 /nfs/dbraw/zinc/46/65/07/167466507.db2.gz LOAYQUZBFYOMBS-SECBINFHSA-N 2 0 170.300 1.456 50 0 ADAARP C[NH+](C)Cc1ccc(C[NH3+])cc1 3649974 167845640 /nfs/dbraw/zinc/84/56/40/167845640.db2.gz LYABQIBGTULUFB-UHFFFAOYSA-N 2 0 164.252 1.207 50 0 ADAARP C[NH+](C)Cc1ccccc1C[NH3+] 4207140 167845648 /nfs/dbraw/zinc/84/56/48/167845648.db2.gz GRRUSEDCZUTRDP-UHFFFAOYSA-N 2 0 164.252 1.207 50 0 in-vitro ADAARP C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 83281551 167901324 /nfs/dbraw/zinc/90/13/24/167901324.db2.gz OQYUXZCXKPMJDN-UHFFFAOYSA-N 2 0 196.338 1.718 50 0 in-vitro ADAARP C[N@@H+]1CCC[NH2+]CC12CCCCC2 40449066 167904090 /nfs/dbraw/zinc/90/40/90/167904090.db2.gz QMMCQKSDYSLBAW-UHFFFAOYSA-N 2 0 182.311 1.614 50 0 ADAARP C[NH2+]CC[C@@H]1CCCC[N@@H+]1C 49753020 168000182 /nfs/dbraw/zinc/00/01/82/168000182.db2.gz JVGRPGFRWNJJPB-VIFPVBQESA-N 2 0 156.273 1.080 50 0 in-vitro ADAARP C[NH2+]CC[C@H](C)[NH+]1CCCC1 19088055 168000195 /nfs/dbraw/zinc/00/01/95/168000195.db2.gz OXVWEKVYYQQSFI-VIFPVBQESA-N 2 0 156.273 1.080 50 0 ADAARP C[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 61714953 168006793 /nfs/dbraw/zinc/00/67/93/168006793.db2.gz FMDVQPTUYDTXHO-WDEREUQCSA-N 2 0 182.311 1.470 50 0 biogenic ADAARP C[NH2+]C[C@@H]1CC[N@H+](CC(C)C)C1 11891844 168007891 /nfs/dbraw/zinc/00/78/91/168007891.db2.gz XWFNVFMJHRSQIC-JTQLQIEISA-N 2 0 170.300 1.184 50 0 in-vitro ADAARP C[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 75611260 168007957 /nfs/dbraw/zinc/00/79/57/168007957.db2.gz FMDVQPTUYDTXHO-QWRGUYRKSA-N 2 0 182.311 1.470 50 0 ADAARP C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 4384299 168008388 /nfs/dbraw/zinc/00/83/88/168008388.db2.gz YOGRGJFVVOUGCH-JTQLQIEISA-N 2 0 170.300 1.326 50 0 in-vitro ADAARP C[NH2+]C[C@H]1CCC[N@@H+]2CCCC[C@@H]12 170609431 168011967 /nfs/dbraw/zinc/01/19/67/168011967.db2.gz FMDVQPTUYDTXHO-MNOVXSKESA-N 2 0 182.311 1.470 50 0 ADAARP C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 4384298 168013280 /nfs/dbraw/zinc/01/32/80/168013280.db2.gz YOGRGJFVVOUGCH-SNVBAGLBSA-N 2 0 170.300 1.326 50 0 in-vitro ADAARP C[NH2+]C[C@H]1CCC[N@@H+]2CCCC[C@H]12 72220528 168013444 /nfs/dbraw/zinc/01/34/44/168013444.db2.gz FMDVQPTUYDTXHO-GHMZBOCLSA-N 2 0 182.311 1.470 50 0 ADAARP C[NH2+]C[C@H]1CC[N@H+](CC(C)C)C1 11891848 168014874 /nfs/dbraw/zinc/01/48/74/168014874.db2.gz XWFNVFMJHRSQIC-SNVBAGLBSA-N 2 0 170.300 1.184 50 0 in-vitro ADAARP C[NH2+]Cc1ccc(C[NH+](C)C)cc1 19090160 168018620 /nfs/dbraw/zinc/01/86/20/168018620.db2.gz TYMWHXVEBSVNAA-UHFFFAOYSA-N 2 0 178.279 1.468 50 0 in-vitro ADAARP C[NH2+]Cc1ccc2c(c1)C[N@@H+](C)C2 19088808 168018914 /nfs/dbraw/zinc/01/89/14/168018914.db2.gz WCPFNQUISYJYBC-UHFFFAOYSA-N 2 0 176.263 1.351 50 0 in-vitro ADAARP C[NH2+]Cc1cccc(C[NH+](C)C)c1 19090157 168019188 /nfs/dbraw/zinc/01/91/88/168019188.db2.gz LKKKECARVKDIIH-UHFFFAOYSA-N 2 0 178.279 1.468 50 0 ADAARP C[NH2+]Cc1ccccc1C[NH+](C)C 19090154 168020567 /nfs/dbraw/zinc/02/05/67/168020567.db2.gz PSSOVGAKCZAFMG-UHFFFAOYSA-N 2 0 178.279 1.468 50 0 ADAARP C[NH2+][C@@H](C[NH+]1CCCC1)C(C)(C)C 38202334 168037044 /nfs/dbraw/zinc/03/70/44/168037044.db2.gz LJLVINSPTFHSKF-JTQLQIEISA-N 2 0 184.327 1.716 50 0 in-vitro ADAARP C[NH2+][C@@H]1CCCC[C@H]1[NH+]1CCCC1 39629166 168042065 /nfs/dbraw/zinc/04/20/65/168042065.db2.gz MFOLKXSQEXMDIR-GHMZBOCLSA-N 2 0 182.311 1.613 50 0 ADAARP C[NH2+][C@H](C[NH+]1CCCC1)C(C)(C)C 39982810 168053732 /nfs/dbraw/zinc/05/37/32/168053732.db2.gz LJLVINSPTFHSKF-SNVBAGLBSA-N 2 0 184.327 1.716 50 0 in-vitro ADAARP COc1ccc(C[NH3+])cc1C[NH+](C)C 22200867 168250469 /nfs/dbraw/zinc/25/04/69/168250469.db2.gz MBSQDBANHIMZOO-UHFFFAOYSA-N 2 0 194.278 1.216 50 0 ADAARP COc1ccc(C[NH2+]CCC[NH3+])cc1 3852011 168250939 /nfs/dbraw/zinc/25/09/39/168250939.db2.gz GOPCLQUKFLLWCG-UHFFFAOYSA-N 2 0 194.278 1.134 50 0 ADAARP COc1cccc(C[NH2+]CCC[NH3+])c1 32920022 168269693 /nfs/dbraw/zinc/26/96/93/168269693.db2.gz HUOXPDWSSCBNHT-UHFFFAOYSA-N 2 0 194.278 1.134 50 0 ADAARP C[C@@H](C1CC[NH2+]CC1)[NH+]1CCCC1 16698318 168331228 /nfs/dbraw/zinc/33/12/28/168331228.db2.gz OWZYCRVGUAGGFJ-JTQLQIEISA-N 2 0 182.311 1.470 50 0 ADAARP C[C@@H](CC[NH3+])[N@H+](C)Cc1ccccc1 19779199 168337193 /nfs/dbraw/zinc/33/71/93/168337193.db2.gz HGDNYWBJWULGKT-NSHDSACASA-N 2 0 192.306 1.856 50 0 in-vitro ADAARP C[C@@H](CC[NH3+])CC(C)(C)C[NH3+] 4521895 168337660 /nfs/dbraw/zinc/33/76/60/168337660.db2.gz JCUZDQXWVYNXHD-QMMMGPOBSA-N 2 0 158.289 1.346 50 0 ADAARP C[C@@H](CC[NH3+])[NH+]1CCCCC1 19673682 168338012 /nfs/dbraw/zinc/33/80/12/168338012.db2.gz JALHJUKRXXWMPV-VIFPVBQESA-N 2 0 156.273 1.210 50 0 in-vitro ADAARP C[C@@H](CC[NH3+])[NH+]1CCCCCC1 19779176 168338333 /nfs/dbraw/zinc/33/83/33/168338333.db2.gz CILBNNCZOYVSLS-JTQLQIEISA-N 2 0 170.300 1.600 50 0 ADAARP C[C@@H](C[NH3+])CC(C)(C)CC[NH3+] 5751162 168341651 /nfs/dbraw/zinc/34/16/51/168341651.db2.gz DPQHRXRAZHNGRU-MRVPVSSYSA-N 2 0 158.289 1.346 50 0 ADAARP C[C@@H](C[NH3+])C[NH+]1CCCCC1 11804617 168342781 /nfs/dbraw/zinc/34/27/81/168342781.db2.gz SFNKFWIIQFWXTC-VIFPVBQESA-N 2 0 156.273 1.067 50 0 in-vitro ADAARP C[C@@H](C[NH3+])C[NH2+]Cc1ccccc1 44069176 168343189 /nfs/dbraw/zinc/34/31/89/168343189.db2.gz RICFCTFKNQIVMT-JTQLQIEISA-N 2 0 178.279 1.371 50 0 in-vitro ADAARP C[C@@H](C[NH3+])C[NH+]1CCCCCC1 11822408 168343732 /nfs/dbraw/zinc/34/37/32/168343732.db2.gz VEGBREJXVGTQRO-JTQLQIEISA-N 2 0 170.300 1.457 50 0 ADAARP C[C@@H]([NH3+])CC[NH+]1CCCCCC1 4384332 168361733 /nfs/dbraw/zinc/36/17/33/168361733.db2.gz YHGWYQDNQLHADE-SNVBAGLBSA-N 2 0 170.300 1.600 50 0 ADAARP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C2CCC2)C1 69724542 168368346 /nfs/dbraw/zinc/36/83/46/168368346.db2.gz QJHMDAYMKUALJA-NXEZZACHSA-N 2 0 182.311 1.598 50 0 in-vitro ADAARP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](C2CCC2)C1 69724548 168368389 /nfs/dbraw/zinc/36/83/89/168368389.db2.gz QJHMDAYMKUALJA-ZJUUUORDSA-N 2 0 182.311 1.598 50 0 in-vitro ADAARP C[C@@H]([NH3+])c1ccc(C[NH3+])cc1 83119279 168370300 /nfs/dbraw/zinc/37/03/00/168370300.db2.gz MEHDHRUTQHJLFN-SSDOTTSWSA-N 2 0 150.225 1.165 50 0 in-vitro ADAARP C[C@@H]([NH2+]CCC[NH3+])c1ccccc1 19736897 168380253 /nfs/dbraw/zinc/38/02/53/168380253.db2.gz NQONXAAXIFYYMX-SNVBAGLBSA-N 2 0 178.279 1.686 50 0 ADAARP C[C@@H]1CCC[N@H+](CCCC(N)=[NH2+])C1 19514017 168418936 /nfs/dbraw/zinc/41/89/36/168418936.db2.gz MTPUORXKRXZQGH-SECBINFHSA-N 2 0 183.299 1.434 50 0 in-vitro ADAARP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH3+])C1 19391883 168464583 /nfs/dbraw/zinc/46/45/83/168464583.db2.gz LPCNLOZVHDWVKT-GHMZBOCLSA-N 2 0 184.327 1.703 50 0 ADAARP C[C@H]1CCC[N@H+](CCCC[NH3+])C1 4226752 168603712 /nfs/dbraw/zinc/60/37/12/168603712.db2.gz SMIJPPCHKFBTMW-JTQLQIEISA-N 2 0 170.300 1.457 50 0 ADAARP Cc1cc(N2CCC[NH2+]CC2)cc[nH+]1 19090024 168768156 /nfs/dbraw/zinc/76/81/56/168768156.db2.gz IZLOJOPPJPNMRS-UHFFFAOYSA-N 2 0 191.278 1.190 50 0 in-vitro ADAARP Cc1cc(NC2CC[NH2+]CC2)cc[nH+]1 98213793 168771356 /nfs/dbraw/zinc/77/13/56/168771356.db2.gz QOBPBRQKKBYKPJ-UHFFFAOYSA-N 2 0 191.278 1.554 50 0 ADAARP Cc1c[nH+]ccc1N1CCC[NH2+]CC1 12955409 168913213 /nfs/dbraw/zinc/91/32/13/168913213.db2.gz GGINBDYFBDUALM-UHFFFAOYSA-N 2 0 191.278 1.190 50 0 in-vitro ADAARP FC1CC[NH+](C2CC[NH2+]CC2)CC1 71257246 169075438 /nfs/dbraw/zinc/07/54/38/169075438.db2.gz HCOPLSQKRZCIPU-UHFFFAOYSA-N 2 0 186.274 1.172 50 0 ADAARP [NH3+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 4203927 169216625 /nfs/dbraw/zinc/21/66/25/169216625.db2.gz SUAKIVNGQVUKJA-GFCCVEGCSA-N 2 0 190.290 1.467 50 0 in-vitro ADAARP NC(=[NH2+])CCC[NH+]1CCCCC1 19482308 169136061 /nfs/dbraw/zinc/13/60/61/169136061.db2.gz PGBGYIQUUMXFPA-UHFFFAOYSA-N 2 0 169.272 1.188 50 0 in-vitro ADAARP [NH3+]C1(C[NH+]2CCCC2)CCCCC1 32445509 169169752 /nfs/dbraw/zinc/16/97/52/169169752.db2.gz FFNSNUBYKYSWNB-UHFFFAOYSA-N 2 0 182.311 1.744 50 0 in-vitro ADAARP [NH3+]C1CCC([NH+]2CCCCC2)CC1 55144232 169172252 /nfs/dbraw/zinc/17/22/52/169172252.db2.gz CFRUILQUHZWJIG-UHFFFAOYSA-N 2 0 182.311 1.742 50 0 ADAARP [NH3+]C1CCC([NH+]2CCCC2)CC1 39082599 169172517 /nfs/dbraw/zinc/17/25/17/169172517.db2.gz YAUYNQUPOXKDNI-UHFFFAOYSA-N 2 0 168.284 1.352 50 0 ADAARP [NH3+]C1C[C@@H]2CCC[C@H](C1)[N@@H+]2C1CC1 38343297 169174061 /nfs/dbraw/zinc/17/40/61/169174061.db2.gz HRBBQZVAAHKYHY-UQPYNNQESA-N 2 0 180.295 1.493 50 0 ADAARP [NH3+]CCC1CC[NH+](C2CCCC2)CC1 12343486 169178931 /nfs/dbraw/zinc/17/89/31/169178931.db2.gz SQPZDQJSVACOTO-UHFFFAOYSA-N 2 0 196.338 1.990 50 0 ADAARP [NH3+]CCCC[NH+]1CCCCC1 4226746 169180029 /nfs/dbraw/zinc/18/00/29/169180029.db2.gz ACOXURKIHJSMAC-UHFFFAOYSA-N 2 0 156.273 1.211 50 0 in-vitro ADAARP [NH3+]CCCCC[NH+]1CCCC1 2557093 169180097 /nfs/dbraw/zinc/18/00/97/169180097.db2.gz WGARYFRHBPNMCZ-UHFFFAOYSA-N 2 0 156.273 1.211 50 0 in-vitro ADAARP [NH3+]CCCCCCC[NH+]1CCCC1 20071444 169180142 /nfs/dbraw/zinc/18/01/42/169180142.db2.gz IDBMSBDOLQSCEW-UHFFFAOYSA-N 2 0 184.327 1.991 50 0 in-vitro ADAARP [NH3+]CCCCC[NH+]1CCCCCC1 4226781 169180199 /nfs/dbraw/zinc/18/01/99/169180199.db2.gz CUBQXMLWRJUWAE-UHFFFAOYSA-N 2 0 184.327 1.991 50 0 ADAARP [NH3+]CCCCC1CC[NH2+]CC1 16124543 169180614 /nfs/dbraw/zinc/18/06/14/169180614.db2.gz DZEGKYXXXRHDOP-UHFFFAOYSA-N 2 0 156.273 1.115 50 0 ADAARP [NH3+]CCCCCCCC[NH3+] 1677582 169180618 /nfs/dbraw/zinc/18/06/18/169180618.db2.gz PWGJDPKCLMLPJW-UHFFFAOYSA-N 2 0 144.262 1.244 50 0 in-vivo ADAARP [NH3+]CCCCCC[NH+]1CCCCC1 2029173 169180704 /nfs/dbraw/zinc/18/07/04/169180704.db2.gz ANSUHSUKCJJKJY-UHFFFAOYSA-N 2 0 184.327 1.991 50 0 ADAARP [NH3+]CCCC[NH+]1CCCCCC1 4226756 169181117 /nfs/dbraw/zinc/18/11/17/169181117.db2.gz DQTXUJFORHDORW-UHFFFAOYSA-N 2 0 170.300 1.601 50 0 in-vitro ADAARP [NH3+]CCCCCCCCC[NH3+] 1845866 169181468 /nfs/dbraw/zinc/18/14/68/169181468.db2.gz SXJVFQLYZSNZBT-UHFFFAOYSA-N 2 0 158.289 1.635 50 0 in-vitro ADAARP [NH3+]CCCCC[NH+]1CCCCC1 4226770 169181485 /nfs/dbraw/zinc/18/14/85/169181485.db2.gz PXENHTLQNXTYRL-UHFFFAOYSA-N 2 0 170.300 1.601 50 0 in-vitro ADAARP [NH3+]CCC[NH+]1CCCCCC1 2163878 169182134 /nfs/dbraw/zinc/18/21/34/169182134.db2.gz FXTRRLIESPAUHT-UHFFFAOYSA-N 2 0 156.273 1.211 50 0 ADAARP [NH3+]CCC[NH+]1CCC(F)(F)CC1 85652803 169182287 /nfs/dbraw/zinc/18/22/87/169182287.db2.gz QFGAZHYAXWTEQI-UHFFFAOYSA-N 2 0 178.226 1.066 50 0 ADAARP [NH3+]CCCC[NH2+]Cc1ccccc1 6096353 169182731 /nfs/dbraw/zinc/18/27/31/169182731.db2.gz OVCTWFIAXIDIJN-UHFFFAOYSA-N 2 0 178.279 1.515 50 0 ADAARP [NH3+]CCC[NH2+]Cc1ccccc1 2564828 169183243 /nfs/dbraw/zinc/18/32/43/169183243.db2.gz RFLHDXQRFPJPRR-UHFFFAOYSA-N 2 0 164.252 1.125 50 0 in-vitro ADAARP [NH3+]CCC[NH2+]Cc1cccc(F)c1 32920024 169183540 /nfs/dbraw/zinc/18/35/40/169183540.db2.gz QASVZHQJTWLVLZ-UHFFFAOYSA-N 2 0 182.242 1.264 50 0 ADAARP [NH3+]CCC[NH2+]Cc1cccc(Cl)c1 32919762 169183688 /nfs/dbraw/zinc/18/36/88/169183688.db2.gz IWNURGRWJOWEQS-UHFFFAOYSA-N 2 0 198.697 1.778 50 0 ADAARP [NH3+]CCC[N@@H+]1CCc2ccccc2C1 4226739 169183719 /nfs/dbraw/zinc/18/37/19/169183719.db2.gz OZWGXKVQFUBMTE-UHFFFAOYSA-N 2 0 190.290 1.394 50 0 in-vitro ADAARP [NH3+]CCC[NH2+]C1CCCCC1 1536989 169183728 /nfs/dbraw/zinc/18/37/28/169183728.db2.gz ITZPOSYADVYECJ-UHFFFAOYSA-N 2 0 156.273 1.258 50 0 ADAARP [NH3+]CCC[NH2+]Cc1ccc(F)cc1 32919761 169183759 /nfs/dbraw/zinc/18/37/59/169183759.db2.gz NDENKGKOZFIGOI-UHFFFAOYSA-N 2 0 182.242 1.264 50 0 ADAARP [NH3+]CCC[NH2+]Cc1ccc(Cl)cc1 54957284 169184038 /nfs/dbraw/zinc/18/40/38/169184038.db2.gz RMASORJTUXYTIP-UHFFFAOYSA-N 2 0 198.697 1.778 50 0 in-vitro ADAARP [NH3+]CCC[NH2+]CCCc1ccccc1 37713448 169184057 /nfs/dbraw/zinc/18/40/57/169184057.db2.gz KVQFEIUOCUWSAU-UHFFFAOYSA-N 2 0 192.306 1.558 50 0 in-vitro ADAARP [NH3+]CCCc1[nH+]cc2ccccn12 20236852 169185573 /nfs/dbraw/zinc/18/55/73/169185573.db2.gz QSSRFWXCHGIPJU-UHFFFAOYSA-N 2 0 175.235 1.226 50 0 ADAARP Nc1ccc2[nH]c(CCC[NH3+])[nH+]c2c1 5323338 169185617 /nfs/dbraw/zinc/18/56/17/169185617.db2.gz DLZMDEHEPXHCTC-UHFFFAOYSA-N 2 0 190.250 1.036 50 0 ADAARP [NH3+]CCCc1ccc(CCC[NH3+])cc1 13650025 169185700 /nfs/dbraw/zinc/18/57/00/169185700.db2.gz UCIIMVLFNCETFE-UHFFFAOYSA-N 2 0 192.306 1.469 50 0 ADAARP [NH3+]CCCc1[nH]c2c([nH+]1)CCCC2 39136853 169186026 /nfs/dbraw/zinc/18/60/26/169186026.db2.gz UZZYLAVRHNCYRR-UHFFFAOYSA-N 2 0 179.267 1.180 50 0 ADAARP [NH3+]CC[C@@H]([NH3+])c1ccccc1 39375623 169193151 /nfs/dbraw/zinc/19/31/51/169193151.db2.gz PLDPCRJUQLPMNU-SECBINFHSA-N 2 0 150.225 1.035 50 0 in-vitro ADAARP [NH3+]CC[C@@]1(c2cccnc2)CCC[NH2+]1 91692931 169194421 /nfs/dbraw/zinc/19/44/21/169194421.db2.gz PEULUYDKMPCSAN-LLVKDONJSA-N 2 0 191.278 1.009 50 0 in-vitro ADAARP [NH3+]CC[C@H]([NH3+])c1ccccc1 39375624 169194564 /nfs/dbraw/zinc/19/45/64/169194564.db2.gz PLDPCRJUQLPMNU-VIFPVBQESA-N 2 0 150.225 1.035 50 0 in-vitro ADAARP [NH3+]CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 19089438 169194606 /nfs/dbraw/zinc/19/46/06/169194606.db2.gz XQCAESFHFWSFTC-WDEREUQCSA-N 2 0 182.311 1.600 50 0 in-vitro ADAARP [NH3+]C[C@@H](C[NH+]1CCCC1)C1CC1 258387739 169204043 /nfs/dbraw/zinc/20/40/43/169204043.db2.gz UBSLMHSTYZGEIJ-JTQLQIEISA-N 2 0 168.284 1.067 50 0 ADAARP [NH3+]C[C@@H](c1ccccc1)[C@H]1CCC[NH2+]1 15020663 169206109 /nfs/dbraw/zinc/20/61/09/169206109.db2.gz PIXCSVPXJQBNLH-NWDGAFQWSA-N 2 0 190.290 1.481 50 0 ADAARP [NH3+]C[C@@H]1CCCC[C@@H]1[NH+]1CCCC1 37156895 169206846 /nfs/dbraw/zinc/20/68/46/169206846.db2.gz DTGCIIMFGOEQDI-QWRGUYRKSA-N 2 0 182.311 1.600 50 0 ADAARP [NH3+]C[C@@H](c1ccccc1)[C@@H]1CCC[NH2+]1 2513183 169207188 /nfs/dbraw/zinc/20/71/88/169207188.db2.gz PIXCSVPXJQBNLH-RYUDHWBXSA-N 2 0 190.290 1.481 50 0 ADAARP [NH3+]C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 12953693 169207374 /nfs/dbraw/zinc/20/73/74/169207374.db2.gz FNSJEOPMBGXGSZ-NSHDSACASA-N 2 0 196.338 1.990 50 0 ADAARP [NH3+]C[C@@H]1CC[N@@H+](C2CCCCC2)C1 11891225 169207592 /nfs/dbraw/zinc/20/75/92/169207592.db2.gz SIQRKOMGBAVKOH-JTQLQIEISA-N 2 0 182.311 1.600 50 0 ADAARP [NH3+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 4577241 169208101 /nfs/dbraw/zinc/20/81/01/169208101.db2.gz WSBDCEJEINRUML-VHSXEESVSA-N 2 0 168.284 1.210 50 0 biogenic ADAARP [NH3+]C[C@@H]1CCCC[C@H]1[NH+]1CCCC1 37156897 169208121 /nfs/dbraw/zinc/20/81/21/169208121.db2.gz DTGCIIMFGOEQDI-WDEREUQCSA-N 2 0 182.311 1.600 50 0 ADAARP [NH3+]C[C@@H]1CC[N@@H+](C2CCCC2)C1 11891216 169208164 /nfs/dbraw/zinc/20/81/64/169208164.db2.gz MGDCKTCOYNYEIP-VIFPVBQESA-N 2 0 168.284 1.210 50 0 ADAARP [NH3+]C[C@@H]1CCC[N@@H+](C2CCCC2)C1 16941902 169208169 /nfs/dbraw/zinc/20/81/69/169208169.db2.gz ZLTWPPIYKFZCGN-JTQLQIEISA-N 2 0 182.311 1.600 50 0 ADAARP [NH3+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 4203928 169208532 /nfs/dbraw/zinc/20/85/32/169208532.db2.gz SUAKIVNGQVUKJA-LBPRGKRZSA-N 2 0 190.290 1.467 50 0 in-vitro ADAARP [NH3+]C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 2586579 169208568 /nfs/dbraw/zinc/20/85/68/169208568.db2.gz WSBDCEJEINRUML-UWVGGRQHSA-N 2 0 168.284 1.210 50 0 ADAARP [NH3+]C[C@@H]1CC[N@H+](Cc2ccco2)C1 11891252 169208884 /nfs/dbraw/zinc/20/88/84/169208884.db2.gz MADYJBIEHBDZAH-VIFPVBQESA-N 2 0 180.251 1.060 50 0 in-vitro ADAARP [NH3+]C[C@@H]1CCC[N@H+](CC2CC2)C1 11888281 169208906 /nfs/dbraw/zinc/20/89/06/169208906.db2.gz KVIREKJXRDXREV-JTQLQIEISA-N 2 0 168.284 1.067 50 0 ADAARP [NH3+]C[C@H](C[NH+]1CCCC1)C1CC1 258387742 169211598 /nfs/dbraw/zinc/21/15/98/169211598.db2.gz UBSLMHSTYZGEIJ-SNVBAGLBSA-N 2 0 168.284 1.067 50 0 ADAARP [NH3+]C[C@H](c1ccccc1)[C@H]1CCC[NH2+]1 15020660 169213640 /nfs/dbraw/zinc/21/36/40/169213640.db2.gz PIXCSVPXJQBNLH-VXGBXAGGSA-N 2 0 190.290 1.481 50 0 ADAARP [NH3+]C[C@H](c1ccccc1)[C@@H]1CCC[NH2+]1 15020656 169213925 /nfs/dbraw/zinc/21/39/25/169213925.db2.gz PIXCSVPXJQBNLH-NEPJUHHUSA-N 2 0 190.290 1.481 50 0 ADAARP [NH3+]C[C@H]1CCC[N@H+](CC2CC2)C1 11888285 169214547 /nfs/dbraw/zinc/21/45/47/169214547.db2.gz KVIREKJXRDXREV-SNVBAGLBSA-N 2 0 168.284 1.067 50 0 ADAARP [NH3+]C[C@H]1CCC[N@@H+](C2CCCCC2)C1 12953696 169215126 /nfs/dbraw/zinc/21/51/26/169215126.db2.gz FNSJEOPMBGXGSZ-LLVKDONJSA-N 2 0 196.338 1.990 50 0 ADAARP [NH3+]C[C@H]1CCC[N@@H+](C2CCCC2)C1 16941907 169215179 /nfs/dbraw/zinc/21/51/79/169215179.db2.gz ZLTWPPIYKFZCGN-SNVBAGLBSA-N 2 0 182.311 1.600 50 0 ADAARP [NH3+]C[C@H]1CCCC[C@H]1[NH+]1CCCC1 37156901 169215260 /nfs/dbraw/zinc/21/52/60/169215260.db2.gz DTGCIIMFGOEQDI-GHMZBOCLSA-N 2 0 182.311 1.600 50 0 ADAARP [NH3+]C[C@H]1CCCC[C@@H]1[NH+]1CCCC1 37156899 169215272 /nfs/dbraw/zinc/21/52/72/169215272.db2.gz DTGCIIMFGOEQDI-MNOVXSKESA-N 2 0 182.311 1.600 50 0 ADAARP [NH3+]C[C@H]1CCC[N@@H+]2CCCC[C@H]12 91557 169215891 /nfs/dbraw/zinc/21/58/91/169215891.db2.gz WSBDCEJEINRUML-NXEZZACHSA-N 2 0 168.284 1.210 50 0 ADAARP [NH3+]C[C@H]1CC[N@H+](Cc2ccco2)C1 11891253 169215915 /nfs/dbraw/zinc/21/59/15/169215915.db2.gz MADYJBIEHBDZAH-SECBINFHSA-N 2 0 180.251 1.060 50 0 in-vitro ADAARP [NH3+]C[C@H]1CCC[N@@H+]2CCCC[C@@H]12 4342787 169216031 /nfs/dbraw/zinc/21/60/31/169216031.db2.gz WSBDCEJEINRUML-ZJUUUORDSA-N 2 0 168.284 1.210 50 0 ADAARP [NH3+]C[C@H]1CC[N@@H+](C2CCCC2)C1 11891220 169216308 /nfs/dbraw/zinc/21/63/08/169216308.db2.gz MGDCKTCOYNYEIP-SECBINFHSA-N 2 0 168.284 1.210 50 0 ADAARP [NH3+]C[C@H]1CC[N@@H+](C2CCCCC2)C1 11891227 169216348 /nfs/dbraw/zinc/21/63/48/169216348.db2.gz SIQRKOMGBAVKOH-SNVBAGLBSA-N 2 0 182.311 1.600 50 0 ADAARP [NH3+]Cc1cc2c[nH+]ccc2[nH]1 72206953 169221938 /nfs/dbraw/zinc/22/19/38/169221938.db2.gz CQJFVMXOTLVYKI-UHFFFAOYSA-N 2 0 147.181 1.022 50 0 ADAARP [NH3+]Cc1ccc(C[NH+]2CCCC2)cc1 4207373 169222846 /nfs/dbraw/zinc/22/28/46/169222846.db2.gz XSJFYCYUKSAOIY-UHFFFAOYSA-N 2 0 190.290 1.741 50 0 in-vitro ADAARP [NH3+]Cc1cccc(C[NH+]2CCCC2)c1 6677785 169224019 /nfs/dbraw/zinc/22/40/19/169224019.db2.gz RTUWXPVILJUANC-UHFFFAOYSA-N 2 0 190.290 1.741 50 0 in-vitro ADAARP [NH3+]Cc1ccccc1C[NH+]1CCCC1 4218579 169224794 /nfs/dbraw/zinc/22/47/94/169224794.db2.gz GKLJBOBCXOAAGF-UHFFFAOYSA-N 2 0 190.290 1.741 50 0 in-vitro ADAARP [NH3+][C@@H](C[NH+]1CCCCC1)C1CC1 68893608 169244676 /nfs/dbraw/zinc/24/46/76/169244676.db2.gz LBZDIHKFDBLHJB-JTQLQIEISA-N 2 0 168.284 1.210 50 0 ADAARP [NH3+][C@H]1CC[C@H]([NH2+]C2CCOCC2)CC1 255189545 169255223 /nfs/dbraw/zinc/25/52/23/169255223.db2.gz QNXAATZWOYDOLU-MGCOHNPYSA-N 2 0 198.310 1.025 50 0 ADAARP [NH3+][C@H]1CC[C@H]([NH2+]C2CCCC2)CC1 255189447 169255318 /nfs/dbraw/zinc/25/53/18/169255318.db2.gz PXTZJZPAWMCUPA-HOMQSWHASA-N 2 0 182.311 1.789 50 0 ADAARP [NH3+][C@@H]1CC[C@@H]([NH+]2CCCCC2)C1 71496383 169255533 /nfs/dbraw/zinc/25/55/33/169255533.db2.gz RBIRQAUZIAUOIY-NXEZZACHSA-N 2 0 168.284 1.352 50 0 ADAARP [NH3+][C@H]1CC[C@H]([NH2+]CC2CCC2)CC1 255186933 169255702 /nfs/dbraw/zinc/25/57/02/169255702.db2.gz ACWPSJYUKQVYMM-XYPYZODXSA-N 2 0 182.311 1.646 50 0 ADAARP [NH3+][C@H]1CC[C@H]([NH+]2CCCC2)CC1 242722985 169255801 /nfs/dbraw/zinc/25/58/01/169255801.db2.gz YAUYNQUPOXKDNI-MGCOHNPYSA-N 2 0 168.284 1.352 50 0 ADAARP [NH3+][C@@H]1CC[C@H]([NH+]2CCCCC2)C1 71496384 169256097 /nfs/dbraw/zinc/25/60/97/169256097.db2.gz RBIRQAUZIAUOIY-ZJUUUORDSA-N 2 0 168.284 1.352 50 0 ADAARP [NH3+][C@H](C[NH+]1CCCCC1)C1CC1 68893610 169265323 /nfs/dbraw/zinc/26/53/23/169265323.db2.gz LBZDIHKFDBLHJB-SNVBAGLBSA-N 2 0 168.284 1.210 50 0 ADAARP [NH3+][C@H]1CC[C@@H]([NH2+]CC2CC2)CC1 238689411 169275516 /nfs/dbraw/zinc/27/55/16/169275516.db2.gz MXVXPXAVMZCYEW-MGCOHNPYSA-N 2 0 168.284 1.256 50 0 ADAARP [NH3+][C@H]1CC[C@@H]([NH2+]C2CCC2)CC1 238689379 169275598 /nfs/dbraw/zinc/27/55/98/169275598.db2.gz KLPIUFXHKLJQQF-CZMCAQCFSA-N 2 0 168.284 1.398 50 0 ADAARP [NH3+][C@H]1CC[C@H]([NH+]2CCCCC2)C1 71496381 169275903 /nfs/dbraw/zinc/27/59/03/169275903.db2.gz RBIRQAUZIAUOIY-UWVGGRQHSA-N 2 0 168.284 1.352 50 0 ADAARP [NH3+][C@H]1CC[C@@H]([NH+]2CCCCC2)CC1 100468690 169276197 /nfs/dbraw/zinc/27/61/97/169276197.db2.gz CFRUILQUHZWJIG-XYPYZODXSA-N 2 0 182.311 1.742 50 0 ADAARP [NH3+][C@H]1CC[C@@H]([NH+]2CCCCC2)C1 71496379 169276364 /nfs/dbraw/zinc/27/63/64/169276364.db2.gz RBIRQAUZIAUOIY-VHSXEESVSA-N 2 0 168.284 1.352 50 0 ADAARP [NH3+][C@H]1[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 100047142 169281607 /nfs/dbraw/zinc/28/16/07/169281607.db2.gz AWZOKHOIEDMSLL-GDNZZTSVSA-N 2 0 188.274 1.076 50 0 in-vitro ADAARP Nc1cc([C@H]2CCC[NH2+]C2)ccn1 98210162 169286819 /nfs/dbraw/zinc/28/68/19/169286819.db2.gz UOSVRLZCAUNTDF-VIFPVBQESA-N 2 0 177.251 1.131 50 0 in-vitro ADAARP F[n+]1ccccc1-c1cccc[n+]1F 403261 170995647 /nfs/dbraw/zinc/99/56/47/170995647.db2.gz VWXNMFVNVKSKOB-UHFFFAOYSA-N 2 0 194.184 1.394 50 0 in-vitro ADAARP [NH3+]C1CC[NH+](C[C@@H]2CC=CCC2)CC1 2527154 171006835 /nfs/dbraw/zinc/00/68/35/171006835.db2.gz IFDXHDOCXPKDDX-LLVKDONJSA-N 2 0 194.322 1.766 50 0 in-vitro ADAARP [NH3+]CC1CC[NH+](C2CCCC2)CC1 2559647 171007311 /nfs/dbraw/zinc/00/73/11/171007311.db2.gz DBQGQSUQRLEZFR-UHFFFAOYSA-N 2 0 182.311 1.600 50 0 in-vitro ADAARP C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 3732446 171009198 /nfs/dbraw/zinc/00/91/98/171009198.db2.gz UGVJHWPLIQCUHK-JTQLQIEISA-N 2 0 168.284 1.080 50 0 in-vitro ADAARP C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 3732445 171009484 /nfs/dbraw/zinc/00/94/84/171009484.db2.gz UGVJHWPLIQCUHK-SNVBAGLBSA-N 2 0 168.284 1.080 50 0 in-vitro ADAARP [NH3+]CC12CC3CC(C1)CC(C[NH3+])(C3)C2 3619792 171009671 /nfs/dbraw/zinc/00/96/71/171009671.db2.gz RXEAFMOPSFWZFL-UHFFFAOYSA-N 2 0 194.322 1.490 50 0 ADAARP C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 3732452 171009842 /nfs/dbraw/zinc/00/98/42/171009842.db2.gz DUVQFTFUAMXIGS-ZJUUUORDSA-N 2 0 168.284 1.080 50 0 in-vitro ADAARP C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 3734772 171010067 /nfs/dbraw/zinc/01/00/67/171010067.db2.gz GAQVWPTXTWMKOP-NSHDSACASA-N 2 0 182.311 1.470 50 0 in-vitro ADAARP C[n+]1ccc(-c2cc[n+](C)cc2)cc1 3861781 171010164 /nfs/dbraw/zinc/01/01/64/171010164.db2.gz INFDPOAKFNIJBF-UHFFFAOYSA-N 2 0 186.258 1.003 50 0 endogenous,in-man ADAARP C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 3734771 171010235 /nfs/dbraw/zinc/01/02/35/171010235.db2.gz GAQVWPTXTWMKOP-LLVKDONJSA-N 2 0 182.311 1.470 50 0 in-vitro ADAARP C[NH+]1CCC([C@H]2CCCCC[NH2+]2)CC1 3735124 171010243 /nfs/dbraw/zinc/01/02/43/171010243.db2.gz WNDNOKLFJCTZTD-GFCCVEGCSA-N 2 0 196.338 1.860 50 0 ADAARP C[NH+]1CCC([C@@H]2CCCCC[NH2+]2)CC1 3735125 171010335 /nfs/dbraw/zinc/01/03/35/171010335.db2.gz WNDNOKLFJCTZTD-LBPRGKRZSA-N 2 0 196.338 1.860 50 0 ADAARP C1C[NH2+]C[C@@H](C[NH+]2CCCC2)C1 4312796 171011840 /nfs/dbraw/zinc/01/18/40/171011840.db2.gz DJMGCHHOJIKYCP-JTQLQIEISA-N 2 0 168.284 1.082 50 0 in-vitro ADAARP [NH3+]C1CC[NH+](C2CCCC2)CC1 4312890 171012185 /nfs/dbraw/zinc/01/21/85/171012185.db2.gz HJJXAKRPWXVQGP-UHFFFAOYSA-N 2 0 168.284 1.352 50 0 in-vitro ADAARP [NH3+]C1CC[NH+](C2CCCCC2)CC1 4312891 171012394 /nfs/dbraw/zinc/01/23/94/171012394.db2.gz GZWFMQMAEUUNCC-UHFFFAOYSA-N 2 0 182.311 1.742 50 0 in-vitro ADAARP C[NH+](C)[C@@H](CC[NH3+])c1ccccc1 11762380 171024030 /nfs/dbraw/zinc/02/40/30/171024030.db2.gz ZXSNXBIFMBANFQ-NSHDSACASA-N 2 0 178.279 1.638 50 0 in-vitro ADAARP C[NH+](C)CCOc1cccc(C[NH3+])c1 11956737 171024805 /nfs/dbraw/zinc/02/48/05/171024805.db2.gz CJJHPYWTHROFEE-UHFFFAOYSA-N 2 0 194.278 1.086 50 0 in-vitro ADAARP CC[NH+](CC)CC1CC[NH2+]CC1 11953435 171024860 /nfs/dbraw/zinc/02/48/60/171024860.db2.gz NBCRICNNRIGTEM-UHFFFAOYSA-N 2 0 170.300 1.328 50 0 ADAARP [NH3+]CC1CC[NH+](CC2CC2)CC1 11888978 171024893 /nfs/dbraw/zinc/02/48/93/171024893.db2.gz ZJRMNUCJUXHKJQ-UHFFFAOYSA-N 2 0 168.284 1.067 50 0 in-vitro ADAARP [NH3+]CC1CC[NH+](Cc2ccco2)CC1 12370837 171025863 /nfs/dbraw/zinc/02/58/63/171025863.db2.gz GKCIOGOJFDDOJI-UHFFFAOYSA-N 2 0 194.278 1.450 50 0 ADAARP [NH3+]CC1CC[NH+](C2CCCCC2)CC1 12953701 171026191 /nfs/dbraw/zinc/02/61/91/171026191.db2.gz ASZYPKIPAOTWDA-UHFFFAOYSA-N 2 0 196.338 1.990 50 0 in-vitro ADAARP [NH3+]C1CC[NH+](Cc2ccccc2)CC1 19230129 171033563 /nfs/dbraw/zinc/03/35/63/171033563.db2.gz YUBDLZGUSSWQSS-UHFFFAOYSA-N 2 0 190.290 1.610 50 0 in-vitro ADAARP C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 19686832 171034851 /nfs/dbraw/zinc/03/48/51/171034851.db2.gz SILVGYURSMUTGA-LLVKDONJSA-N 2 0 182.311 1.470 50 0 ADAARP C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 19686834 171034951 /nfs/dbraw/zinc/03/49/51/171034951.db2.gz SILVGYURSMUTGA-NSHDSACASA-N 2 0 182.311 1.470 50 0 ADAARP CC[NH+](CC)CC(C)(C)[NH3+] 19685436 171035245 /nfs/dbraw/zinc/03/52/45/171035245.db2.gz OAYLAXOCNOCLPZ-UHFFFAOYSA-N 2 0 144.262 1.066 50 0 ADAARP Cc1ccccc1C[NH2+]CCC[NH3+] 32920026 171050369 /nfs/dbraw/zinc/05/03/69/171050369.db2.gz BOIHMOWQNFKVCP-UHFFFAOYSA-N 2 0 178.279 1.433 50 0 ADAARP C[NH+]1CCC([NH3+])(c2ccccc2)CC1 33487166 171051385 /nfs/dbraw/zinc/05/13/85/171051385.db2.gz NUXDYXAREJWGOH-UHFFFAOYSA-N 2 0 190.290 1.566 50 0 ADAARP C1C[NH2+]C[C@@H](CC[NH+]2CCCC2)C1 34449437 171055764 /nfs/dbraw/zinc/05/57/64/171055764.db2.gz AHGBXHLBWUIIED-LLVKDONJSA-N 2 0 182.311 1.472 50 0 ADAARP [NH3+]C1CC[NH+](CC2CCCC2)CC1 36533220 171061617 /nfs/dbraw/zinc/06/16/17/171061617.db2.gz PWPPWWYNPCKJIJ-UHFFFAOYSA-N 2 0 182.311 1.600 50 0 ADAARP [NH3+]C1CC[NH+](CC2CCC2)CC1 37180737 171063107 /nfs/dbraw/zinc/06/31/07/171063107.db2.gz JCQNKVOCNFBRFU-UHFFFAOYSA-N 2 0 168.284 1.210 50 0 ADAARP [NH3+]CC1C[C@@H]2CC[C@H](C1)[N@@H+]2C1CC1 38343317 171069100 /nfs/dbraw/zinc/06/91/00/171069100.db2.gz ZUASHELDOVYWKV-UQPYNNQESA-N 2 0 180.295 1.351 50 0 ADAARP CN1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1 39706080 171079932 /nfs/dbraw/zinc/07/99/32/171079932.db2.gz PAASZFYAZDIBJQ-WDEREUQCSA-N 2 0 182.311 1.613 50 0 ADAARP C[NH+]1CCC2(CC[NH2+]CC2)CC1 40448386 171081149 /nfs/dbraw/zinc/08/11/49/171081149.db2.gz OFXQSNLQXDCJCP-UHFFFAOYSA-N 2 0 168.284 1.082 50 0 in-vitro ADAARP [NH3+]CC1CC[NH+](CC2CCCC2)CC1 42011359 171084629 /nfs/dbraw/zinc/08/46/29/171084629.db2.gz VRTGQKYMPLPDAE-UHFFFAOYSA-N 2 0 196.338 1.847 50 0 ADAARP [NH3+]C1CC[NH+](C[C@H]2CC=CCC2)CC1 45630706 171093062 /nfs/dbraw/zinc/09/30/62/171093062.db2.gz IFDXHDOCXPKDDX-NSHDSACASA-N 2 0 194.322 1.766 50 0 in-vitro ADAARP C[NH+]1CCC2(CCC[NH2+]CC2)CC1 54956934 171099703 /nfs/dbraw/zinc/09/97/03/171099703.db2.gz IALAEASTAWASBR-UHFFFAOYSA-N 2 0 182.311 1.472 50 0 in-vitro ADAARP C[N@@H+]1CCCC2(CC[NH2+]CC2)CC1 67425126 171104751 /nfs/dbraw/zinc/10/47/51/171104751.db2.gz DZAMDNTYVOESPM-UHFFFAOYSA-N 2 0 182.311 1.472 50 0 in-vitro ADAARP C[NH+]1CCC2(CCC[NH2+]C2)CC1 66324212 171104782 /nfs/dbraw/zinc/10/47/82/171104782.db2.gz DPAUGPILPAZRRD-UHFFFAOYSA-N 2 0 168.284 1.082 50 0 in-vitro ADAARP C1C[NH2+]CC[C@H]([NH+]2CCCC2)C1 68576659 171104813 /nfs/dbraw/zinc/10/48/13/171104813.db2.gz NBJVJNQGFQFOTB-SNVBAGLBSA-N 2 0 168.284 1.224 50 0 in-vitro ADAARP [NH3+]CC1CC[NH+](C2CCC2)CC1 67801227 171105084 /nfs/dbraw/zinc/10/50/84/171105084.db2.gz WMGPLQGJJKAYLA-UHFFFAOYSA-N 2 0 168.284 1.210 50 0 ADAARP [NH3+]CC1CC[NH+](CC2CCC2)CC1 67801224 171105116 /nfs/dbraw/zinc/10/51/16/171105116.db2.gz XBIMLZKXSOVHBF-UHFFFAOYSA-N 2 0 182.311 1.457 50 0 ADAARP C1C[NH2+]CC[C@@H]([NH+]2CCCC2)C1 68576661 171105186 /nfs/dbraw/zinc/10/51/86/171105186.db2.gz NBJVJNQGFQFOTB-JTQLQIEISA-N 2 0 168.284 1.224 50 0 in-vitro ADAARP C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 67425163 171105330 /nfs/dbraw/zinc/10/53/30/171105330.db2.gz BIEJYKKRBBVADH-UHFFFAOYSA-N 2 0 168.284 1.082 50 0 ADAARP [NH3+]C12CCCC([NH3+])(CC1)CC2 238610215 171156591 /nfs/dbraw/zinc/15/65/91/171156591.db2.gz FFJAALHSZDOICJ-UHFFFAOYSA-N 2 0 154.257 1.139 50 0 ADAARP NC1(c2ccccc2F)CC[NH2+]CC1 96029496 171198774 /nfs/dbraw/zinc/19/87/74/171198774.db2.gz PJJSLDOMEGNUMY-UHFFFAOYSA-N 2 0 194.253 1.363 50 0 ADAARP [NH3+]C1(c2cccc(F)c2)CC[NH2+]CC1 98213858 171200039 /nfs/dbraw/zinc/20/00/39/171200039.db2.gz WVTOQQREVLDOJW-UHFFFAOYSA-N 2 0 194.253 1.363 50 0 ADAARP [NH3+]C1(CC2CCC2)CC[NH2+]CC1 98213762 171200162 /nfs/dbraw/zinc/20/01/62/171200162.db2.gz IIKLSMDRNWXSHG-UHFFFAOYSA-N 2 0 168.284 1.258 50 0 ADAARP [NH3+]C1(c2ccc(F)cc2)CC[NH2+]CC1 98213857 171200353 /nfs/dbraw/zinc/20/03/53/171200353.db2.gz YQCBTHQRHFFIGR-UHFFFAOYSA-N 2 0 194.253 1.363 50 0 ADAARP C[NH+](C)C[C@H]1CC[C@@H]([NH3+])CC1 149219339 344062978 /nfs/dbraw/zinc/06/29/78/344062978.db2.gz JDYWFZJIINVRGG-KYZUINATSA-N 2 0 156.273 1.066 50 0 ADAARP CC(C)C=C[NH2+]CCCCNC(N)=[NH2+] 1900163 171220668 /nfs/dbraw/zinc/22/06/68/171220668.db2.gz VVZPFWHJZRAHKY-VMPITWQZSA-N 2 0 198.314 1.009 50 0 biogenic ADAARP C[C@@H]([C@H]1CC[NH2+]C1)[NH+]1CCCC1 238436583 344806833 /nfs/dbraw/zinc/80/68/33/344806833.db2.gz YJFKQBKLZOOPFI-UWVGGRQHSA-N 2 0 168.284 1.080 50 0 ADAARP C1CC[NH+]([C@@H]2CC[C@@H]3C[NH2+]C[C@H]32)C1 307021207 345758788 /nfs/dbraw/zinc/75/87/88/345758788.db2.gz GCFVJUMYTDWRHI-GMTAPVOTSA-N 2 0 180.295 1.080 50 0 ADAARP C1CC[NH+](CC2C[C@H]3C[NH2+]C[C@@H]3C2)C1 601012566 346918621 /nfs/dbraw/zinc/91/86/21/346918621.db2.gz NHFLHIXQDPNIAX-RYUDHWBXSA-N 2 0 194.322 1.328 50 0 ADAARP C[C@@H]1CCCC[N@@H+]1C1CC[NH2+]CC1 96319818 351680857 /nfs/dbraw/zinc/68/08/57/351680857.db2.gz ZXUICRDVIUWNIY-SNVBAGLBSA-N 2 0 182.311 1.613 50 0 in-vitro ADAARP C[NH2+]CCCC[NH2+]C[C@@H]1C[C@@H]1C 167565665 325625809 /nfs/dbraw/zinc/62/58/09/325625809.db2.gz QRVYPWDPWFXDQE-UWVGGRQHSA-N 2 0 170.300 1.232 50 0 ADAARP C[C@@H]1CCC[C@H](CC[NH+](C)C)[NH2+]1 307335167 325641017 /nfs/dbraw/zinc/64/10/17/325641017.db2.gz CFQFKQJQJSLRMN-NXEZZACHSA-N 2 0 170.300 1.469 50 0 ADAARP C[C@H]1CCC[C@@H](CC[NH+](C)C)[NH2+]1 307335168 325641029 /nfs/dbraw/zinc/64/10/29/325641029.db2.gz CFQFKQJQJSLRMN-UWVGGRQHSA-N 2 0 170.300 1.469 50 0 ADAARP CCC1([NH+]2CCCC2)CC[NH2+]CC1 536948766 325667171 /nfs/dbraw/zinc/66/71/71/325667171.db2.gz YBJUINVJJAGQNT-UHFFFAOYSA-N 2 0 182.311 1.614 50 0 ADAARP CC1(C)CC([NH3+])CC(C)(C)[NH2+]1 388102 342935526 /nfs/dbraw/zinc/93/55/26/342935526.db2.gz FTVFPPFZRRKJIH-UHFFFAOYSA-N 2 0 156.273 1.254 50 0 in-vitro ADAARP [NH3+]C1CC[NH+](CC2CCCCC2)CC1 58139 342925564 /nfs/dbraw/zinc/92/55/64/342925564.db2.gz WYDUUQNGNSXLRC-UHFFFAOYSA-N 2 0 196.338 1.990 50 0 in-vitro ADAARP C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 106624 342926722 /nfs/dbraw/zinc/92/67/22/342926722.db2.gz HHIKCULWCMZQRO-SNVBAGLBSA-N 2 0 168.284 1.082 50 0 in-vitro ADAARP C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 106618 342927007 /nfs/dbraw/zinc/92/70/07/342927007.db2.gz HHIKCULWCMZQRO-JTQLQIEISA-N 2 0 168.284 1.082 50 0 in-vitro ADAARP CCC[NH+]1CCC([NH2+]C2CC2)CC1 153948 342928535 /nfs/dbraw/zinc/92/85/35/342928535.db2.gz IOZJJKNYYROPTK-UHFFFAOYSA-N 2 0 182.311 1.613 50 0 in-vitro ADAARP Cc1cc(C)c(C[NH3+])cc1C[NH3+] 162771 342930207 /nfs/dbraw/zinc/93/02/07/342930207.db2.gz OEESPXCGNUWLEZ-UHFFFAOYSA-N 2 0 164.252 1.221 50 0 ADAARP CC1CC[NH+](C2CC[NH2+]CC2)CC1 299474 342933265 /nfs/dbraw/zinc/93/32/65/342933265.db2.gz MPXFUSKDKWZTPI-UHFFFAOYSA-N 2 0 182.311 1.470 50 0 in-vitro ADAARP CC1(C)C[C@@H]([NH3+])C[C@@](C)(C[NH3+])C1 388122 342935511 /nfs/dbraw/zinc/93/55/11/342935511.db2.gz RNLHGQLZWXBQNY-PSASIEDQSA-N 2 0 170.300 1.489 50 0 in-vitro ADAARP CC1(C)C[C@@H]([NH3+])C[C@](C)(C[NH3+])C1 388121 342935513 /nfs/dbraw/zinc/93/55/13/342935513.db2.gz RNLHGQLZWXBQNY-SCZZXKLOSA-N 2 0 170.300 1.489 50 0 in-vitro ADAARP CC1(C)C[C@H]([NH3+])C[C@](C)(C[NH3+])C1 388123 342935705 /nfs/dbraw/zinc/93/57/05/342935705.db2.gz RNLHGQLZWXBQNY-WPRPVWTQSA-N 2 0 170.300 1.489 50 0 in-vitro ADAARP Cc1c(C)c(C[NH3+])c(C)c(C)c1C[NH3+] 393805 342937133 /nfs/dbraw/zinc/93/71/33/342937133.db2.gz BQBSCHUAHABRME-UHFFFAOYSA-N 2 0 192.306 1.838 50 0 ADAARP Cc1cc(C[NH3+])c(C)cc1C[NH3+] 393996 342937208 /nfs/dbraw/zinc/93/72/08/342937208.db2.gz AJSMFLLYPNSHIV-UHFFFAOYSA-N 2 0 164.252 1.221 50 0 ADAARP C[C@H]([NH3+])c1ccc(-n2ccnc2)cc1 1301237 342943941 /nfs/dbraw/zinc/94/39/41/342943941.db2.gz OYVAMJZOLMOBIL-VIFPVBQESA-N 2 0 187.246 1.892 50 0 in-vitro ADAARP C[NH+](C)CCCCCC[NH3+] 1562159 342947311 /nfs/dbraw/zinc/94/73/11/342947311.db2.gz ZUXUNWLVIWKEHB-UHFFFAOYSA-N 2 0 144.262 1.067 50 0 ADAARP C[N@@H+]1CCC[C@H]1[C@H]1CCC[NH2+]C1 1587604 342949500 /nfs/dbraw/zinc/94/95/00/342949500.db2.gz BPOJUAZWENUSBT-UWVGGRQHSA-N 2 0 168.284 1.080 50 0 ADAARP C[NH+](C)CC[C@H]1CCCC[NH2+]1 1655612 342954458 /nfs/dbraw/zinc/95/44/58/342954458.db2.gz VQWPLEFSACXKNE-SECBINFHSA-N 2 0 156.273 1.080 50 0 in-vitro ADAARP CCC[NH+](CCC)CCC[NH3+] 1676333 342957122 /nfs/dbraw/zinc/95/71/22/342957122.db2.gz GZUCMODGDIGMBI-UHFFFAOYSA-N 2 0 158.289 1.457 50 0 in-vitro ADAARP C[NH2+]CCC[NH+]1CCCCC1 1848438 342964977 /nfs/dbraw/zinc/96/49/77/342964977.db2.gz XQESRORWDXYILU-UHFFFAOYSA-N 2 0 156.273 1.082 50 0 in-vitro ADAARP C[NH2+]CCC[NH2+]C1CCCCC1 2013983 342966449 /nfs/dbraw/zinc/96/64/49/342966449.db2.gz ZVWQHCRUSNYNIN-UHFFFAOYSA-N 2 0 170.300 1.518 50 0 ADAARP Cc1ccc(CNCCC[NH+](C)C)o1 2183312 342970853 /nfs/dbraw/zinc/97/08/53/342970853.db2.gz WLKHRLBHQGIFKD-UHFFFAOYSA-N 2 0 196.294 1.629 50 0 in-vitro ADAARP CC(C)[NH2+]CCC[NH2+]C(C)C 2242997 342971417 /nfs/dbraw/zinc/97/14/17/342971417.db2.gz OAVPQXXPJZPXTA-UHFFFAOYSA-N 2 0 158.289 1.373 50 0 ADAARP C[NH2+]CCCCCCCC[NH2+]C 2384740 342971787 /nfs/dbraw/zinc/97/17/87/342971787.db2.gz JWMBTMQPVIYUAC-UHFFFAOYSA-N 2 0 172.316 1.766 50 0 ADAARP C[NH+](C)CC(C)(C)C[NH+](C)C 2510326 342973424 /nfs/dbraw/zinc/97/34/24/342973424.db2.gz MOBAUGYLXJCSAW-UHFFFAOYSA-N 2 0 158.289 1.136 50 0 ADAARP C[C@H](C[NH3+])CC(C)(C)CC[NH3+] 2527952 342974722 /nfs/dbraw/zinc/97/47/22/342974722.db2.gz DPQHRXRAZHNGRU-QMMMGPOBSA-N 2 0 158.289 1.346 50 0 ADAARP CCC[NH+](CCC)C1CC[NH2+]CC1 2529142 342974760 /nfs/dbraw/zinc/97/47/60/342974760.db2.gz TUANAYXZRKSRCV-UHFFFAOYSA-N 2 0 184.327 1.860 50 0 in-vitro ADAARP C[C@H](CC[NH3+])CC(C)(C)C[NH3+] 2557090 342976420 /nfs/dbraw/zinc/97/64/20/342976420.db2.gz JCUZDQXWVYNXHD-MRVPVSSYSA-N 2 0 158.289 1.346 50 0 ADAARP C[NH+](C)CC[C@@H]1CCCC[NH2+]1 2558599 342976492 /nfs/dbraw/zinc/97/64/92/342976492.db2.gz VQWPLEFSACXKNE-VIFPVBQESA-N 2 0 156.273 1.080 50 0 in-vitro ADAARP C[NH+](C)CCCCCCC[NH3+] 2563318 342977007 /nfs/dbraw/zinc/97/70/07/342977007.db2.gz OXAUQAUWLUANLY-UHFFFAOYSA-N 2 0 158.289 1.457 50 0 in-vitro ADAARP C[C@H]1CCCC[N@@H+]1CCC[NH3+] 2567876 342977702 /nfs/dbraw/zinc/97/77/02/342977702.db2.gz YYAYTNPNFKPFNG-VIFPVBQESA-N 2 0 156.273 1.210 50 0 ADAARP CC(C)[NH2+]CCCCC[NH3+] 2572251 342978134 /nfs/dbraw/zinc/97/81/34/342978134.db2.gz XBPAJDWNIXPXFJ-UHFFFAOYSA-N 2 0 144.262 1.113 50 0 ADAARP CC1CC[NH+](CCC[NH3+])CC1 2582060 342978805 /nfs/dbraw/zinc/97/88/05/342978805.db2.gz KJZUUHBRCBCMNK-UHFFFAOYSA-N 2 0 156.273 1.067 50 0 in-vitro ADAARP CC[C@H]1CCCC[N@@H+]1CCC[NH3+] 2944782 342979972 /nfs/dbraw/zinc/97/99/72/342979972.db2.gz BVQNBPJFOANOTF-JTQLQIEISA-N 2 0 170.300 1.600 50 0 in-vitro ADAARP CC[C@@H]1CCCC[N@@H+]1CCC[NH3+] 2944783 342980094 /nfs/dbraw/zinc/98/00/94/342980094.db2.gz BVQNBPJFOANOTF-SNVBAGLBSA-N 2 0 170.300 1.600 50 0 in-vitro ADAARP C[N@H+](CCC[NH3+])Cc1ccccc1 4207346 342988723 /nfs/dbraw/zinc/98/87/23/342988723.db2.gz LZQYISZOMMPPIP-UHFFFAOYSA-N 2 0 178.279 1.467 50 0 in-vitro ADAARP C[C@H]1CCCC[N@@H+]1CCCC[NH3+] 4226748 342988859 /nfs/dbraw/zinc/98/88/59/342988859.db2.gz BGZRDDRSXVZQOG-JTQLQIEISA-N 2 0 170.300 1.600 50 0 ADAARP C[N@H+](CCC[NH3+])C1CCCCC1 4226736 342988873 /nfs/dbraw/zinc/98/88/73/342988873.db2.gz GOODZUIQBJNDNO-UHFFFAOYSA-N 2 0 170.300 1.600 50 0 ADAARP C[N@H+](CCCC[NH3+])Cc1ccccc1 4226759 342988974 /nfs/dbraw/zinc/98/89/74/342988974.db2.gz LNKXNYGPRVTRQG-UHFFFAOYSA-N 2 0 192.306 1.857 50 0 in-vitro ADAARP CCCC[N@H+](C)CCC[NH3+] 4226733 342989002 /nfs/dbraw/zinc/98/90/02/342989002.db2.gz FOIBZJBVQYLKTC-UHFFFAOYSA-N 2 0 144.262 1.067 50 0 in-vitro ADAARP C[C@H]1CCC[C@@H](C)[N@@H+]1CCC[NH3+] 4299022 342990489 /nfs/dbraw/zinc/99/04/89/342990489.db2.gz GHJFLCNNVJBMEX-AOOOYVTPSA-N 2 0 170.300 1.598 50 0 in-vitro ADAARP C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 4353089 342990873 /nfs/dbraw/zinc/99/08/73/342990873.db2.gz BPOJUAZWENUSBT-NXEZZACHSA-N 2 0 168.284 1.080 50 0 ADAARP C[N@@H+]1CC[C@@H]([NH3+])[C@H]2CCCC[C@@H]21 4342938 342990964 /nfs/dbraw/zinc/99/09/64/342990964.db2.gz BLYUFWSKCMEZSN-BBBLOLIVSA-N 2 0 168.284 1.208 50 0 ADAARP C[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]C1 4353090 342990969 /nfs/dbraw/zinc/99/09/69/342990969.db2.gz BPOJUAZWENUSBT-ZJUUUORDSA-N 2 0 168.284 1.080 50 0 ADAARP C[C@H]([NH3+])CC[NH+]1CCCCCC1 4384331 342991362 /nfs/dbraw/zinc/99/13/62/342991362.db2.gz YHGWYQDNQLHADE-JTQLQIEISA-N 2 0 170.300 1.600 50 0 ADAARP CC(C)[N@@H+]1CCC[C@H](C[NH3+])C1 4503361 342992415 /nfs/dbraw/zinc/99/24/15/342992415.db2.gz FGNRRDAUWGLVRV-SECBINFHSA-N 2 0 156.273 1.066 50 0 in-vitro ADAARP CC(C)[N@@H+]1CCC[C@@H](C[NH3+])C1 4503362 342992430 /nfs/dbraw/zinc/99/24/30/342992430.db2.gz FGNRRDAUWGLVRV-VIFPVBQESA-N 2 0 156.273 1.066 50 0 in-vitro ADAARP CC(C)[NH+]1CCC(C[NH3+])CC1 4503353 342992466 /nfs/dbraw/zinc/99/24/66/342992466.db2.gz IYCMYOWBZQNVBV-UHFFFAOYSA-N 2 0 156.273 1.066 50 0 in-vitro ADAARP C[NH+](C)Cc1ccc(C[NH+](C)C)cc1 4798137 342995602 /nfs/dbraw/zinc/99/56/02/342995602.db2.gz RHEIHVJNIMFDKB-UHFFFAOYSA-N 2 0 192.306 1.810 50 0 ADAARP C[C@H]1C[C@@H]([NH+](C)C)[C@H](C)C[N@@H+]1C 4837129 342996570 /nfs/dbraw/zinc/99/65/70/342996570.db2.gz YTSOCSSFMLFCRS-KXUCPTDWSA-N 2 0 170.300 1.277 50 0 ADAARP C[C@H]1C[C@@H](C)C[N@H+](CCC[NH3+])C1 4967402 342997413 /nfs/dbraw/zinc/99/74/13/342997413.db2.gz DZXDFGJXATZQKS-AOOOYVTPSA-N 2 0 170.300 1.313 50 0 in-vitro ADAARP C[C@H]1C[C@H](C)C[NH+](CCC[NH3+])C1 4967403 342997537 /nfs/dbraw/zinc/99/75/37/342997537.db2.gz DZXDFGJXATZQKS-UWVGGRQHSA-N 2 0 170.300 1.313 50 0 in-vitro ADAARP C[NH2+]C1CC[NH+](C(C)C)CC1 4992757 342997913 /nfs/dbraw/zinc/99/79/13/342997913.db2.gz IKTZTXACQRUKHD-UHFFFAOYSA-N 2 0 156.273 1.079 50 0 in-vitro ADAARP C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 6169414 343013239 /nfs/dbraw/zinc/01/32/39/343013239.db2.gz DUVQFTFUAMXIGS-UWVGGRQHSA-N 2 0 168.284 1.080 50 0 in-vitro ADAARP CCC[NH+]1CCC(C[NH3+])CC1 6481875 343014566 /nfs/dbraw/zinc/01/45/66/343014566.db2.gz QSUUJNCKEJEANG-UHFFFAOYSA-N 2 0 156.273 1.067 50 0 in-vitro ADAARP C[NH2+]CCC[NH2+]CCc1ccccc1 10435506 343022141 /nfs/dbraw/zinc/02/21/41/343022141.db2.gz SCYYYCVWSZWHLX-UHFFFAOYSA-N 2 0 192.306 1.428 50 0 ADAARP C[NH+](C)CCC[NH2+]C1CCCC1 11766426 343024444 /nfs/dbraw/zinc/02/44/44/343024444.db2.gz VEYCTSADAZRBIS-UHFFFAOYSA-N 2 0 170.300 1.470 50 0 ADAARP C[NH+](C)[C@H](CC[NH3+])c1ccccc1 11762386 343024526 /nfs/dbraw/zinc/02/45/26/343024526.db2.gz ZXSNXBIFMBANFQ-LLVKDONJSA-N 2 0 178.279 1.638 50 0 in-vitro ADAARP C[NH+](C)CCNc1ccc(C[NH3+])cc1 11757240 343024619 /nfs/dbraw/zinc/02/46/19/343024619.db2.gz CKHNOFPVRNVWQF-UHFFFAOYSA-N 2 0 193.294 1.119 50 0 ADAARP C[C@H](C[NH3+])C[NH+]1CCCCC1 11804618 343024936 /nfs/dbraw/zinc/02/49/36/343024936.db2.gz SFNKFWIIQFWXTC-SECBINFHSA-N 2 0 156.273 1.067 50 0 in-vitro ADAARP C[C@H](C[NH3+])C[NH+]1CCCCCC1 11822410 343025003 /nfs/dbraw/zinc/02/50/03/343025003.db2.gz VEGBREJXVGTQRO-SNVBAGLBSA-N 2 0 170.300 1.457 50 0 ADAARP C[NH2+]CC1CC[NH+](CC(C)C)CC1 11889128 343025931 /nfs/dbraw/zinc/02/59/31/343025931.db2.gz WEBFOWMPMLTBFU-UHFFFAOYSA-N 2 0 184.327 1.574 50 0 in-vitro ADAARP CCC[N@@H+]1CCC[C@@H](C[NH3+])C1 11888266 343025950 /nfs/dbraw/zinc/02/59/50/343025950.db2.gz RTTJSPVCYPCHFP-VIFPVBQESA-N 2 0 156.273 1.067 50 0 in-vitro ADAARP CCC[N@@H+]1CCC[C@H](C[NH3+])C1 11888270 343026109 /nfs/dbraw/zinc/02/61/09/343026109.db2.gz RTTJSPVCYPCHFP-SECBINFHSA-N 2 0 156.273 1.067 50 0 in-vitro ADAARP CCCC[N@@H+]1CC[C@@H](C[NH3+])C1 11891199 343026602 /nfs/dbraw/zinc/02/66/02/343026602.db2.gz ZWQDCCSMHQUNBC-VIFPVBQESA-N 2 0 156.273 1.067 50 0 ADAARP CCCC[N@@H+]1CC[C@H](C[NH3+])C1 11891204 343026858 /nfs/dbraw/zinc/02/68/58/343026858.db2.gz ZWQDCCSMHQUNBC-SECBINFHSA-N 2 0 156.273 1.067 50 0 ADAARP CC1CC[NH+](CC2CC[NH2+]CC2)CC1 11953318 343027042 /nfs/dbraw/zinc/02/70/42/343027042.db2.gz KLEANQMXCTYMKG-UHFFFAOYSA-N 2 0 196.338 1.718 50 0 in-vitro ADAARP CCCC[N@H+](C)CC1CC[NH2+]CC1 11953450 343027235 /nfs/dbraw/zinc/02/72/35/343027235.db2.gz OBQZFVSEUKEWTF-UHFFFAOYSA-N 2 0 184.327 1.718 50 0 in-vitro ADAARP CC(C)[N@@H+]1CCCC[C@@H]1CC[NH3+] 12382564 343029688 /nfs/dbraw/zinc/02/96/88/343029688.db2.gz XFKFFPYPUQJYSW-SNVBAGLBSA-N 2 0 170.300 1.598 50 0 in-vitro ADAARP C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 12384379 343029790 /nfs/dbraw/zinc/02/97/90/343029790.db2.gz GMIARZNQLSJFCP-UHFFFAOYSA-N 2 0 170.300 1.515 50 0 in-vitro ADAARP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH2+]1 12954954 343032296 /nfs/dbraw/zinc/03/22/96/343032296.db2.gz BILVABRULMFJNP-QWRGUYRKSA-N 2 0 182.311 1.613 50 0 ADAARP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH2+]1 12954959 343032443 /nfs/dbraw/zinc/03/24/43/343032443.db2.gz BILVABRULMFJNP-MNOVXSKESA-N 2 0 182.311 1.613 50 0 ADAARP C[NH+](C)Cc1cccc(C[NH3+])c1 12810516 343032498 /nfs/dbraw/zinc/03/24/98/343032498.db2.gz VOVDYPSBXVIIAH-UHFFFAOYSA-N 2 0 164.252 1.207 50 0 in-vitro ADAARP CCC[N@H+](C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 14629107 343039804 /nfs/dbraw/zinc/03/98/04/343039804.db2.gz ZREJVWJLHJZSFO-ZACCUICWSA-N 2 0 182.311 1.611 50 0 in-vitro ADAARP CC(C)[N@@H+]1CCCC[C@H]1CC[NH3+] 15635557 343042299 /nfs/dbraw/zinc/04/22/99/343042299.db2.gz XFKFFPYPUQJYSW-JTQLQIEISA-N 2 0 170.300 1.598 50 0 in-vitro ADAARP C[C@H](C1CC[NH2+]CC1)[NH+]1CCCC1 16698320 343044552 /nfs/dbraw/zinc/04/45/52/343044552.db2.gz OWZYCRVGUAGGFJ-SNVBAGLBSA-N 2 0 182.311 1.470 50 0 ADAARP C[NH2+]CC[C@@H](C)[NH+]1CCCC1 19088051 343049138 /nfs/dbraw/zinc/04/91/38/343049138.db2.gz OXVWEKVYYQQSFI-SECBINFHSA-N 2 0 156.273 1.080 50 0 ADAARP C[NH+](C)Cc1ccc(C[NH3+])s1 16942847 343045029 /nfs/dbraw/zinc/04/50/29/343045029.db2.gz SAJLJLAEWLRFAD-UHFFFAOYSA-N 2 0 170.281 1.268 50 0 ADAARP CCC[NH+]1CCC(CC[NH3+])CC1 19089014 343049733 /nfs/dbraw/zinc/04/97/33/343049733.db2.gz QYGQYVFXOCOETN-UHFFFAOYSA-N 2 0 170.300 1.457 50 0 in-vitro ADAARP C[NH2+]CCC[NH+]1CCCCCC1 19089119 343049987 /nfs/dbraw/zinc/04/99/87/343049987.db2.gz URPNAVAVDRFKOZ-UHFFFAOYSA-N 2 0 170.300 1.472 50 0 in-vitro ADAARP C[NH+](C)C1CC(C)(C)[NH2+]C(C)(C)C1 19202645 343052133 /nfs/dbraw/zinc/05/21/33/343052133.db2.gz LRAJIZNKBMCWJE-UHFFFAOYSA-N 2 0 184.327 1.857 50 0 ADAARP CC(C)[N@H+](C)CCCC[NH3+] 19263725 343052458 /nfs/dbraw/zinc/05/24/58/343052458.db2.gz BBEOCWDIZZEPIR-UHFFFAOYSA-N 2 0 144.262 1.066 50 0 in-vitro ADAARP CCCC[NH+]1CCC([NH3+])CC1 19260122 343052631 /nfs/dbraw/zinc/05/26/31/343052631.db2.gz HRMBSWWTQBEJHL-UHFFFAOYSA-N 2 0 156.273 1.210 50 0 in-vitro ADAARP C[NH+](C)Cc1ccc(C[NH3+])cc1F 19266160 343052692 /nfs/dbraw/zinc/05/26/92/343052692.db2.gz YDLYUQVKMXWYKT-UHFFFAOYSA-N 2 0 182.242 1.346 50 0 ADAARP CC[C@@H]([NH3+])C[NH+]1CCCCC1 19358785 343053275 /nfs/dbraw/zinc/05/32/75/343053275.db2.gz JIQRJXYTQMTWIY-SECBINFHSA-N 2 0 156.273 1.210 50 0 ADAARP C[C@H]1C[C@H](C)C[NH+](CCCC[NH3+])C1 19391892 343053892 /nfs/dbraw/zinc/05/38/92/343053892.db2.gz LPCNLOZVHDWVKT-QWRGUYRKSA-N 2 0 184.327 1.703 50 0 ADAARP C[C@H]1C[C@@H](C)C[N@H+](CCCC[NH3+])C1 19391887 343053909 /nfs/dbraw/zinc/05/39/09/343053909.db2.gz LPCNLOZVHDWVKT-PHIMTYICSA-N 2 0 184.327 1.703 50 0 ADAARP CCC[NH2+]C1CC[NH+](CCC)CC1 19472798 343055582 /nfs/dbraw/zinc/05/55/82/343055582.db2.gz SURKVOXVVIZPAB-UHFFFAOYSA-N 2 0 184.327 1.860 50 0 ADAARP C[C@H]1C[C@H](C)C[NH+](C2CC[NH2+]CC2)C1 19473720 343055599 /nfs/dbraw/zinc/05/55/99/343055599.db2.gz SVXLDJZOZAEIHM-QWRGUYRKSA-N 2 0 196.338 1.716 50 0 in-vitro ADAARP CCC(CC)[NH+]1CCC([NH3+])CC1 19474212 343055814 /nfs/dbraw/zinc/05/58/14/343055814.db2.gz HUJXRKYMGBLFMK-UHFFFAOYSA-N 2 0 170.300 1.598 50 0 ADAARP C[C@H]1C[C@@H](C)C[N@@H+](C2CC[NH2+]CC2)C1 19473717 343055892 /nfs/dbraw/zinc/05/58/92/343055892.db2.gz SVXLDJZOZAEIHM-PHIMTYICSA-N 2 0 196.338 1.716 50 0 in-vitro ADAARP CC[C@H](C)[NH+]1CCC([NH3+])CC1 19506937 343056503 /nfs/dbraw/zinc/05/65/03/343056503.db2.gz DBBKREWGWFNQHZ-QMMMGPOBSA-N 2 0 156.273 1.208 50 0 ADAARP C[C@H](CC[NH3+])[NH+]1CCCCC1 19673684 343058182 /nfs/dbraw/zinc/05/81/82/343058182.db2.gz JALHJUKRXXWMPV-SECBINFHSA-N 2 0 156.273 1.210 50 0 in-vitro ADAARP C[NH2+]CCC[N@H+](C)C1CCCCC1 19736982 343059386 /nfs/dbraw/zinc/05/93/86/343059386.db2.gz XDAQFTXIPUUOSE-UHFFFAOYSA-N 2 0 184.327 1.860 50 0 ADAARP CCC[NH+](CCC)CCC[NH2+]C 19736984 343059432 /nfs/dbraw/zinc/05/94/32/343059432.db2.gz OBZRETQPECDYGF-UHFFFAOYSA-N 2 0 172.316 1.718 50 0 ADAARP C[C@H]([NH2+]CCC[NH3+])c1ccccc1 19736898 343059513 /nfs/dbraw/zinc/05/95/13/343059513.db2.gz NQONXAAXIFYYMX-JTQLQIEISA-N 2 0 178.279 1.686 50 0 ADAARP C[NH2+]CCC[NH+]1CCC(C)CC1 19736959 343059604 /nfs/dbraw/zinc/05/96/04/343059604.db2.gz WTEVUSYBKLMCQL-UHFFFAOYSA-N 2 0 170.300 1.328 50 0 ADAARP C[NH2+]CCC[N@H+](C)Cc1ccccc1 19736981 343059611 /nfs/dbraw/zinc/05/96/11/343059611.db2.gz CDRZWWQEJJUXDS-UHFFFAOYSA-N 2 0 192.306 1.728 50 0 in-vitro ADAARP C[C@H](CC[NH3+])[N@H+](C)Cc1ccccc1 19779200 343060404 /nfs/dbraw/zinc/06/04/04/343060404.db2.gz HGDNYWBJWULGKT-LLVKDONJSA-N 2 0 192.306 1.856 50 0 in-vitro ADAARP C[C@H](CC[NH3+])[NH+]1CCCCCC1 19779177 343060451 /nfs/dbraw/zinc/06/04/51/343060451.db2.gz CILBNNCZOYVSLS-SNVBAGLBSA-N 2 0 170.300 1.600 50 0 ADAARP C[NH+](C)CCCNc1cc[nH+]cc1 20010128 343065729 /nfs/dbraw/zinc/06/57/29/343065729.db2.gz CKKOCTLMWIAVJE-UHFFFAOYSA-N 2 0 179.267 1.445 50 0 in-vitro ADAARP CCC[NH2+]CCN1CCCC1 20126968 343067686 /nfs/dbraw/zinc/06/76/86/343067686.db2.gz ITEWBASAHQBZBQ-UHFFFAOYSA-N 2 0 156.273 1.082 50 0 in-vitro ADAARP C[NH+](C)Cc1ccc(CC[NH3+])cc1 20216318 343069540 /nfs/dbraw/zinc/06/95/40/343069540.db2.gz SHWRIURLTSBILS-UHFFFAOYSA-N 2 0 178.279 1.249 50 0 in-vitro ADAARP C[NH+](C)Cc1cccc(CC[NH3+])c1 20216497 343069543 /nfs/dbraw/zinc/06/95/43/343069543.db2.gz NFIGEQLQHBAPDX-UHFFFAOYSA-N 2 0 178.279 1.249 50 0 in-vitro ADAARP CC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 20270212 343070803 /nfs/dbraw/zinc/07/08/03/343070803.db2.gz XOZOEASNBZIJBW-GFCCVEGCSA-N 2 0 196.338 1.718 50 0 in-vitro ADAARP C[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 20270227 343070862 /nfs/dbraw/zinc/07/08/62/343070862.db2.gz CYIPMFGUWLWJBY-NWDGAFQWSA-N 2 0 196.338 1.718 50 0 ADAARP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 20270225 343070969 /nfs/dbraw/zinc/07/09/69/343070969.db2.gz OKEPAFIFRLMKQH-NWDGAFQWSA-N 2 0 196.338 1.860 50 0 in-vitro ADAARP CC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 20270213 343070988 /nfs/dbraw/zinc/07/09/88/343070988.db2.gz XOZOEASNBZIJBW-LBPRGKRZSA-N 2 0 196.338 1.718 50 0 in-vitro ADAARP CC(C)[N@H+](C)Cc1ccc(C[NH3+])cc1 20284050 343071137 /nfs/dbraw/zinc/07/11/37/343071137.db2.gz JXGZXBQDSKMEOG-UHFFFAOYSA-N 2 0 192.306 1.986 50 0 ADAARP CCCC[N@H+](C)C[C@H]1CCC[NH2+]C1 21948720 343075501 /nfs/dbraw/zinc/07/55/01/343075501.db2.gz ZZADEUCMSDMCEV-NSHDSACASA-N 2 0 184.327 1.718 50 0 ADAARP CC(C)[N@H+](C)C[C@@H]1CCC[NH2+]C1 21948727 343075519 /nfs/dbraw/zinc/07/55/19/343075519.db2.gz ABFLKMBXZMYJHZ-SNVBAGLBSA-N 2 0 170.300 1.326 50 0 in-vitro ADAARP CC(C)[N@H+](C)C[C@H]1CCC[NH2+]C1 21948728 343075526 /nfs/dbraw/zinc/07/55/26/343075526.db2.gz ABFLKMBXZMYJHZ-JTQLQIEISA-N 2 0 170.300 1.326 50 0 in-vitro ADAARP CCCC[N@H+](C)C[C@@H]1CCC[NH2+]C1 21948718 343075592 /nfs/dbraw/zinc/07/55/92/343075592.db2.gz ZZADEUCMSDMCEV-LLVKDONJSA-N 2 0 184.327 1.718 50 0 ADAARP CC(C)[N@H+](C)CC1CC[NH2+]CC1 21949057 343075715 /nfs/dbraw/zinc/07/57/15/343075715.db2.gz SLHDSIBGFJHPKB-UHFFFAOYSA-N 2 0 170.300 1.326 50 0 in-vitro ADAARP CC(C)[N@H+](C)Cc1cccc(C[NH3+])c1 21951498 343076075 /nfs/dbraw/zinc/07/60/75/343076075.db2.gz AEXPPRUUJRVFNW-UHFFFAOYSA-N 2 0 192.306 1.986 50 0 ADAARP C[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 21949591 343076137 /nfs/dbraw/zinc/07/61/37/343076137.db2.gz LVDXXPZDCQZLPH-NSHDSACASA-N 2 0 196.338 1.860 50 0 ADAARP CCCC[N@H+](CC)CCC[NH3+] 21949835 343076141 /nfs/dbraw/zinc/07/61/41/343076141.db2.gz SMIQOXAFNYRXHC-UHFFFAOYSA-N 2 0 158.289 1.457 50 0 ADAARP CCC[NH+]1CCC([NH2+]C)CC1 21960641 343076336 /nfs/dbraw/zinc/07/63/36/343076336.db2.gz SEELONCGWFEVLF-UHFFFAOYSA-N 2 0 156.273 1.080 50 0 in-vitro ADAARP CC(C)[N@H+]1C[C@]2(C)C[NH2+]C[C@](C)(C1)C2 24540720 343086085 /nfs/dbraw/zinc/08/60/85/343086085.db2.gz UCGIBNODMYFZKN-TXEJJXNPSA-N 2 0 196.338 1.716 50 0 biogenic ADAARP C[NH+](C)CC[C@@H]([NH3+])C(C)(C)C 26510885 343089373 /nfs/dbraw/zinc/08/93/73/343089373.db2.gz NSDLRARBCRDPFU-MRVPVSSYSA-N 2 0 158.289 1.312 50 0 in-vitro ADAARP CC[C@H]([NH3+])C[NH+]1CCC(C)CC1 32497045 343102110 /nfs/dbraw/zinc/10/21/10/343102110.db2.gz KUVAPQHVIWXCEO-JTQLQIEISA-N 2 0 170.300 1.456 50 0 ADAARP CC[C@H]([NH3+])C[NH+]1CCCCC1 32497043 343102338 /nfs/dbraw/zinc/10/23/38/343102338.db2.gz JIQRJXYTQMTWIY-VIFPVBQESA-N 2 0 156.273 1.210 50 0 ADAARP CC[C@@H]([NH3+])C[NH+]1CCC(C)CC1 32497044 343102418 /nfs/dbraw/zinc/10/24/18/343102418.db2.gz KUVAPQHVIWXCEO-SNVBAGLBSA-N 2 0 170.300 1.456 50 0 ADAARP CC1CC[NH+](C[C@@H](C)[NH3+])CC1 32553268 343102697 /nfs/dbraw/zinc/10/26/97/343102697.db2.gz KLMZEKWPJSIPOG-SECBINFHSA-N 2 0 156.273 1.066 50 0 in-vitro ADAARP CC1CC[NH+](C[C@H](C)[NH3+])CC1 32553269 343102752 /nfs/dbraw/zinc/10/27/52/343102752.db2.gz KLMZEKWPJSIPOG-VIFPVBQESA-N 2 0 156.273 1.066 50 0 in-vitro ADAARP Cc1cccc(C[NH2+]CCC[NH3+])c1 32919764 343103948 /nfs/dbraw/zinc/10/39/48/343103948.db2.gz NXSZCPBBZUMDNI-UHFFFAOYSA-N 2 0 178.279 1.433 50 0 ADAARP CC(C)[NH+](CCC[NH3+])C(C)C 34157399 343111997 /nfs/dbraw/zinc/11/19/97/343111997.db2.gz QPGRDTXELAFGRG-UHFFFAOYSA-N 2 0 158.289 1.454 50 0 in-vitro ADAARP C[NH2+]C1(c2ccccc2)CC[NH2+]CC1 33966237 343108636 /nfs/dbraw/zinc/10/86/36/343108636.db2.gz UORMPYQLQRCWRN-UHFFFAOYSA-N 2 0 190.290 1.485 50 0 ADAARP C[NH+](C)CC(C)(C)C1CC[NH2+]CC1 34562413 343121740 /nfs/dbraw/zinc/12/17/40/343121740.db2.gz SDNJJSRPSUKHEG-UHFFFAOYSA-N 2 0 184.327 1.574 50 0 ADAARP C[NH+](C)C[C@@H](C[NH3+])c1ccccc1 35731344 343137404 /nfs/dbraw/zinc/13/74/04/343137404.db2.gz BPSNGMQZDKJFAU-LLVKDONJSA-N 2 0 178.279 1.291 50 0 in-vitro ADAARP C[NH+](C)C[C@H](C[NH3+])c1ccccc1 35731345 343137528 /nfs/dbraw/zinc/13/75/28/343137528.db2.gz BPSNGMQZDKJFAU-NSHDSACASA-N 2 0 178.279 1.291 50 0 in-vitro ADAARP C[NH2+]CCCC[NH+]1CCCCC1 37477908 343170881 /nfs/dbraw/zinc/17/08/81/343170881.db2.gz SPFMYUNNXGYYIF-UHFFFAOYSA-N 2 0 170.300 1.472 50 0 ADAARP C[NH+](C)CC1CCC([NH3+])CC1 37482410 343171705 /nfs/dbraw/zinc/17/17/05/343171705.db2.gz JDYWFZJIINVRGG-UHFFFAOYSA-N 2 0 156.273 1.066 50 0 in-vitro ADAARP CCCCCC[NH2+]CCC[NH3+] 37713546 343176202 /nfs/dbraw/zinc/17/62/02/343176202.db2.gz UUWPMNGNEAEOIR-UHFFFAOYSA-N 2 0 158.289 1.505 50 0 ADAARP C[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 37911099 343180455 /nfs/dbraw/zinc/18/04/55/343180455.db2.gz WYSNSNBDMIDQDR-VIFPVBQESA-N 2 0 168.284 1.223 50 0 ADAARP CCC(CC)[NH2+]C1CC[NH2+]CC1 38040474 343183704 /nfs/dbraw/zinc/18/37/04/343183704.db2.gz LQUUCWTVYDWHCP-UHFFFAOYSA-N 2 0 170.300 1.517 50 0 ADAARP CCCC[N@H+](C)C[C@H](C)[NH3+] 39067645 343195895 /nfs/dbraw/zinc/19/58/95/343195895.db2.gz KKYAVQDTPDXVOL-QMMMGPOBSA-N 2 0 144.262 1.066 50 0 in-vitro ADAARP C[NH2+]C1CCC([NH+](C)C)CC1 39321103 343210822 /nfs/dbraw/zinc/21/08/22/343210822.db2.gz HJANWHMCHVPVJK-UHFFFAOYSA-N 2 0 156.273 1.079 50 0 ADAARP CCC[N@H+](C)CC(C)(C)[NH3+] 40925883 343224307 /nfs/dbraw/zinc/22/43/07/343224307.db2.gz YLYHTRLVFIIUBI-UHFFFAOYSA-N 2 0 144.262 1.066 50 0 ADAARP C[NH+](C)[C@H]1CCCC[NH2+]CC1 43214876 343250463 /nfs/dbraw/zinc/25/04/63/343250463.db2.gz HNCKVEDZZXIYEM-VIFPVBQESA-N 2 0 156.273 1.080 50 0 ADAARP C[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 42783410 343249194 /nfs/dbraw/zinc/24/91/94/343249194.db2.gz USMGXHWFMCYOLP-WDEREUQCSA-N 2 0 182.311 1.328 50 0 ADAARP CCC[NH+](CCC)C[C@@H]1CC[NH2+]C1 42783421 343249255 /nfs/dbraw/zinc/24/92/55/343249255.db2.gz MOVZSOJJZSNCJR-LLVKDONJSA-N 2 0 184.327 1.718 50 0 ADAARP CC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 42783412 343249260 /nfs/dbraw/zinc/24/92/60/343249260.db2.gz FNFHULJBRGAFAP-NSHDSACASA-N 2 0 182.311 1.328 50 0 ADAARP CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 42783425 343249299 /nfs/dbraw/zinc/24/92/99/343249299.db2.gz BKQGLRKYQKWJGE-VXGBXAGGSA-N 2 0 196.338 1.860 50 0 ADAARP CCCC[N@H+](C)C[C@H]1CC[NH2+]C1 42783402 343249349 /nfs/dbraw/zinc/24/93/49/343249349.db2.gz QLWWYAYOXCEFSV-JTQLQIEISA-N 2 0 170.300 1.328 50 0 ADAARP CC[C@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 42783426 343249393 /nfs/dbraw/zinc/24/93/93/343249393.db2.gz BKQGLRKYQKWJGE-NEPJUHHUSA-N 2 0 196.338 1.860 50 0 ADAARP CCC[NH+](CCC)C[C@H]1CC[NH2+]C1 42783422 343249431 /nfs/dbraw/zinc/24/94/31/343249431.db2.gz MOVZSOJJZSNCJR-NSHDSACASA-N 2 0 184.327 1.718 50 0 ADAARP C[N@H+](C[C@H]1CC[NH2+]C1)C1CCCCC1 42783424 343249409 /nfs/dbraw/zinc/24/94/09/343249409.db2.gz WAQHQIPUHASWIO-NSHDSACASA-N 2 0 196.338 1.860 50 0 ADAARP CCCC[N@H+](C)C[C@@H]1CC[NH2+]C1 42783401 343249427 /nfs/dbraw/zinc/24/94/27/343249427.db2.gz QLWWYAYOXCEFSV-SNVBAGLBSA-N 2 0 170.300 1.328 50 0 ADAARP C[N@H+](C[C@@H]1CC[NH2+]C1)C1CCCCC1 42783423 343249452 /nfs/dbraw/zinc/24/94/52/343249452.db2.gz WAQHQIPUHASWIO-LLVKDONJSA-N 2 0 196.338 1.860 50 0 ADAARP C[C@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 42783408 343249488 /nfs/dbraw/zinc/24/94/88/343249488.db2.gz YYLITIYWIMAUSJ-WDEREUQCSA-N 2 0 182.311 1.470 50 0 ADAARP CC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 42783411 343249512 /nfs/dbraw/zinc/24/95/12/343249512.db2.gz FNFHULJBRGAFAP-LLVKDONJSA-N 2 0 182.311 1.328 50 0 ADAARP CCC[N@@H+]1CC[C@@H](CC[NH3+])C1 42784372 343249817 /nfs/dbraw/zinc/24/98/17/343249817.db2.gz LLORSIUDDJDXRH-SECBINFHSA-N 2 0 156.273 1.067 50 0 ADAARP CCC[N@@H+]1CC[C@H](CC[NH3+])C1 42784371 343249827 /nfs/dbraw/zinc/24/98/27/343249827.db2.gz LLORSIUDDJDXRH-VIFPVBQESA-N 2 0 156.273 1.067 50 0 ADAARP C[NH+](C)[C@@H]1CCCC[NH2+]CC1 43214875 343250457 /nfs/dbraw/zinc/25/04/57/343250457.db2.gz HNCKVEDZZXIYEM-SECBINFHSA-N 2 0 156.273 1.080 50 0 ADAARP C[C@H](C[NH3+])C[NH2+]Cc1ccccc1 44069181 343259921 /nfs/dbraw/zinc/25/99/21/343259921.db2.gz RICFCTFKNQIVMT-SNVBAGLBSA-N 2 0 178.279 1.371 50 0 in-vitro ADAARP CCC(CC)[NH+]1CCC(C[NH3+])CC1 44511663 343267255 /nfs/dbraw/zinc/26/72/55/343267255.db2.gz KSGUUFQDSBMPOY-UHFFFAOYSA-N 2 0 184.327 1.846 50 0 ADAARP CC(C)[N@@H+]1CC[C@@H](CC[NH3+])C1 45660382 343271894 /nfs/dbraw/zinc/27/18/94/343271894.db2.gz FTYCOOVNLZVYEE-SECBINFHSA-N 2 0 156.273 1.066 50 0 in-vitro ADAARP CC(C)[N@@H+]1CC[C@H](CC[NH3+])C1 45660379 343272000 /nfs/dbraw/zinc/27/20/00/343272000.db2.gz FTYCOOVNLZVYEE-VIFPVBQESA-N 2 0 156.273 1.066 50 0 in-vitro ADAARP C[NH2+]CC[C@H]1CCCC[N@@H+]1C 49753022 343276417 /nfs/dbraw/zinc/27/64/17/343276417.db2.gz JVGRPGFRWNJJPB-SECBINFHSA-N 2 0 156.273 1.080 50 0 in-vitro ADAARP C[N@@H+]1CC[C@H]([NH3+])[C@@H]2CCCC[C@H]21 51144477 343289198 /nfs/dbraw/zinc/28/91/98/343289198.db2.gz BLYUFWSKCMEZSN-LPEHRKFASA-N 2 0 168.284 1.208 50 0 ADAARP C[NH2+]CCC[NH2+][C@H](C)c1ccccc1 54954762 343332341 /nfs/dbraw/zinc/33/23/41/343332341.db2.gz DHBKWWXNNZRTKC-LLVKDONJSA-N 2 0 192.306 1.947 50 0 ADAARP CC1CC[NH+](C2CCC([NH3+])CC2)CC1 55144204 343333984 /nfs/dbraw/zinc/33/39/84/343333984.db2.gz UHPKEUWJTYUINL-UHFFFAOYSA-N 2 0 196.338 1.988 50 0 in-vitro ADAARP Cc1cc[nH+]c(NC[C@@H]2CC[NH2+]C2)c1 57217714 343336372 /nfs/dbraw/zinc/33/63/72/343336372.db2.gz QVZYAVHAGLGAID-SNVBAGLBSA-N 2 0 191.278 1.411 50 0 ADAARP Cc1cccc(NC[C@H]2CC[NH2+]C2)[nH+]1 57217720 343336705 /nfs/dbraw/zinc/33/67/05/343336705.db2.gz GOGVDMSQODUATE-JTQLQIEISA-N 2 0 191.278 1.411 50 0 in-vitro ADAARP Cc1cccc(NC[C@@H]2CC[NH2+]C2)[nH+]1 57217718 343336798 /nfs/dbraw/zinc/33/67/98/343336798.db2.gz GOGVDMSQODUATE-SNVBAGLBSA-N 2 0 191.278 1.411 50 0 in-vitro ADAARP C[NH2+]CCC[NH2+]Cc1ccc(F)cc1 57362429 343337097 /nfs/dbraw/zinc/33/70/97/343337097.db2.gz QDKQHTDTAQQNBK-UHFFFAOYSA-N 2 0 196.269 1.525 50 0 ADAARP CC1(C)CCC[N@@H+]1C1CC[NH2+]CC1 63067283 343400699 /nfs/dbraw/zinc/40/06/99/343400699.db2.gz ODCMEHOHAZOAHK-UHFFFAOYSA-N 2 0 182.311 1.613 50 0 ADAARP C[NH2+]CCC[NH2+][C@@H](C)c1ccccc1 66057032 343409078 /nfs/dbraw/zinc/40/90/78/343409078.db2.gz DHBKWWXNNZRTKC-NSHDSACASA-N 2 0 192.306 1.947 50 0 ADAARP C[N@@H+]1CC[C@@H](C[NH3+])[C@@H]1c1cccs1 68576709 343411636 /nfs/dbraw/zinc/41/16/36/343411636.db2.gz RLWZIDWJNRGCCU-WCBMZHEXSA-N 2 0 196.319 1.700 50 0 in-vitro ADAARP C[N@@H+]1CC[C@H](C[NH3+])[C@@H]1c1cccs1 68576708 343411677 /nfs/dbraw/zinc/41/16/77/343411677.db2.gz RLWZIDWJNRGCCU-PSASIEDQSA-N 2 0 196.319 1.700 50 0 in-vitro ADAARP C[N@@H+]1CC[C@@H](C[NH3+])[C@@H]1c1ccccc1 68590548 343412047 /nfs/dbraw/zinc/41/20/47/343412047.db2.gz ARLUXCWBAJJHBT-RYUDHWBXSA-N 2 0 190.290 1.638 50 0 in-vitro ADAARP C[N@@H+]1CC[C@H](C[NH3+])[C@@H]1c1ccccc1 68590544 343412180 /nfs/dbraw/zinc/41/21/80/343412180.db2.gz ARLUXCWBAJJHBT-NEPJUHHUSA-N 2 0 190.290 1.638 50 0 in-vitro ADAARP C1CC[NH+]([C@@H]2CCC[NH2+]CC2)CC1 69630018 343428414 /nfs/dbraw/zinc/42/84/14/343428414.db2.gz BFAIKMGDZZASRD-LLVKDONJSA-N 2 0 182.311 1.614 50 0 ADAARP C1CC[NH+]([C@H]2CCC[NH2+]CC2)CC1 69630020 343428578 /nfs/dbraw/zinc/42/85/78/343428578.db2.gz BFAIKMGDZZASRD-NSHDSACASA-N 2 0 182.311 1.614 50 0 ADAARP C[NH+](C)CCCC(C)(C)[NH3+] 69634427 343429241 /nfs/dbraw/zinc/42/92/41/343429241.db2.gz AUEGKMPMUOXIIP-UHFFFAOYSA-N 2 0 144.262 1.066 50 0 ADAARP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C2CCC2)C1 69724544 343437620 /nfs/dbraw/zinc/43/76/20/343437620.db2.gz QJHMDAYMKUALJA-UWVGGRQHSA-N 2 0 182.311 1.598 50 0 in-vitro ADAARP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C2CCC2)C1 69724539 343437951 /nfs/dbraw/zinc/43/79/51/343437951.db2.gz QJHMDAYMKUALJA-VHSXEESVSA-N 2 0 182.311 1.598 50 0 in-vitro ADAARP C[N@H+](C[C@H]1CC12CC[NH2+]CC2)C1CC1 69792486 343441849 /nfs/dbraw/zinc/44/18/49/343441849.db2.gz YOHYTEUXRDRFFM-SNVBAGLBSA-N 2 0 194.322 1.470 50 0 in-vitro ADAARP C[N@H+](C[C@@H]1CC12CC[NH2+]CC2)C1CC1 69792484 343441928 /nfs/dbraw/zinc/44/19/28/343441928.db2.gz YOHYTEUXRDRFFM-JTQLQIEISA-N 2 0 194.322 1.470 50 0 in-vitro ADAARP Cc1c[nH+]ccc1NC1CC[NH2+]CC1 70047534 343470063 /nfs/dbraw/zinc/47/00/63/343470063.db2.gz GWLWBSUOOORAAR-UHFFFAOYSA-N 2 0 191.278 1.554 50 0 ADAARP CC(C)[NH2+]C/C=C\C[NH2+]C(C)C 71774053 343557864 /nfs/dbraw/zinc/55/78/64/343557864.db2.gz XUHWXAYJBQMEAF-WAYWQWQTSA-N 2 0 170.300 1.539 50 0 ADAARP Cc1cn2c(n1)[C@H](C[NH3+])CCC2 82160261 343595326 /nfs/dbraw/zinc/59/53/26/343595326.db2.gz FPUGAZVPMGBIRK-QMMMGPOBSA-N 2 0 165.240 1.028 50 0 ADAARP Cc1cn2c(n1)[C@@H](C[NH3+])CCC2 82160263 343595372 /nfs/dbraw/zinc/59/53/72/343595372.db2.gz FPUGAZVPMGBIRK-MRVPVSSYSA-N 2 0 165.240 1.028 50 0 ADAARP C[C@H]([NH3+])c1ccc(C[NH3+])cc1 83119278 343616724 /nfs/dbraw/zinc/61/67/24/343616724.db2.gz MEHDHRUTQHJLFN-ZETCQYMHSA-N 2 0 150.225 1.165 50 0 in-vitro ADAARP CC1CCC(C[NH3+])(C[NH3+])CC1 83257088 343617685 /nfs/dbraw/zinc/61/76/85/343617685.db2.gz PMRKXPYJPYTRSF-UHFFFAOYSA-N 2 0 156.273 1.100 50 0 ADAARP C[NH+]1CCC2(CCC([NH3+])CC2)CC1 83275150 343618199 /nfs/dbraw/zinc/61/81/99/343618199.db2.gz OREXEKAZLPOXOY-UHFFFAOYSA-N 2 0 182.311 1.600 50 0 ADAARP CC1CC[NH+](C2CC([NH3+])C2)CC1 86662795 343653469 /nfs/dbraw/zinc/65/34/69/343653469.db2.gz STISQCNKJBQVMB-UHFFFAOYSA-N 2 0 168.284 1.208 50 0 ADAARP CC1(C)CC(C[NH3+])CC(C)(C)[NH2+]1 91691429 343677964 /nfs/dbraw/zinc/67/79/64/343677964.db2.gz OURNKFCDVGRFHJ-UHFFFAOYSA-N 2 0 170.300 1.502 50 0 in-vitro ADAARP C[NH+](C)CCc1ccc(C[NH3+])cc1 96034474 343694484 /nfs/dbraw/zinc/69/44/84/343694484.db2.gz ODSFRAJKARZHQP-UHFFFAOYSA-N 2 0 178.279 1.249 50 0 in-vitro ADAARP C[C@H]1CCCC[N@@H+]1C1CC[NH2+]CC1 96319819 343695952 /nfs/dbraw/zinc/69/59/52/343695952.db2.gz ZXUICRDVIUWNIY-JTQLQIEISA-N 2 0 182.311 1.613 50 0 in-vitro ADAARP C[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 101226769 343723179 /nfs/dbraw/zinc/72/31/79/343723179.db2.gz USMGXHWFMCYOLP-MNOVXSKESA-N 2 0 182.311 1.328 50 0 ADAARP C[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 101226772 343723113 /nfs/dbraw/zinc/72/31/13/343723113.db2.gz USMGXHWFMCYOLP-QWRGUYRKSA-N 2 0 182.311 1.328 50 0 ADAARP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1c1ccccc1 101382886 343723617 /nfs/dbraw/zinc/72/36/17/343723617.db2.gz ARLUXCWBAJJHBT-NWDGAFQWSA-N 2 0 190.290 1.638 50 0 in-vitro ADAARP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1c1cccs1 101421255 343723628 /nfs/dbraw/zinc/72/36/28/343723628.db2.gz RLWZIDWJNRGCCU-SCZZXKLOSA-N 2 0 196.319 1.700 50 0 in-vitro ADAARP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1c1cccs1 101421253 343723674 /nfs/dbraw/zinc/72/36/74/343723674.db2.gz RLWZIDWJNRGCCU-WPRPVWTQSA-N 2 0 196.319 1.700 50 0 in-vitro ADAARP CC[NH+](CC)C1(C)CC[NH2+]CC1 160586850 344171038 /nfs/dbraw/zinc/17/10/38/344171038.db2.gz GBNJJEHJBBOBND-UHFFFAOYSA-N 2 0 170.300 1.470 50 0 ADAARP C[NH+](C)C1CCC2(CC[NH2+]CC2)CC1 200750545 344363560 /nfs/dbraw/zinc/36/35/60/344363560.db2.gz ZBPVTVAWSGTXOL-UHFFFAOYSA-N 2 0 196.338 1.860 50 0 ADAARP CC(C)[NH2+][C@H]1CC[C@@H]([NH3+])CC1 238156707 344794358 /nfs/dbraw/zinc/79/43/58/344794358.db2.gz XBIIOWJDJMRYBO-KYZUINATSA-N 2 0 156.273 1.254 50 0 ADAARP CCC1([NH+](C)C)CC[NH2+]CC1 238232803 344796591 /nfs/dbraw/zinc/79/65/91/344796591.db2.gz DNXPEJJQOYNWMD-UHFFFAOYSA-N 2 0 156.273 1.080 50 0 in-vitro ADAARP CC[NH+](CC)[C@@H](C)[C@@H]1CC[NH2+]C1 238255786 344797220 /nfs/dbraw/zinc/79/72/20/344797220.db2.gz MCQMTECFQVYXQF-VHSXEESVSA-N 2 0 170.300 1.326 50 0 ADAARP CC[NH+](CC)[C@H](C)[C@@H]1CC[NH2+]C1 238258963 344797278 /nfs/dbraw/zinc/79/72/78/344797278.db2.gz MCQMTECFQVYXQF-NXEZZACHSA-N 2 0 170.300 1.326 50 0 ADAARP CC[NH+](CC)[C@@H](C)[C@H]1CC[NH2+]C1 238255836 344797335 /nfs/dbraw/zinc/79/73/35/344797335.db2.gz MCQMTECFQVYXQF-UWVGGRQHSA-N 2 0 170.300 1.326 50 0 ADAARP CC[NH+](CC)[C@H](C)[C@H]1CC[NH2+]C1 238259013 344797416 /nfs/dbraw/zinc/79/74/16/344797416.db2.gz MCQMTECFQVYXQF-ZJUUUORDSA-N 2 0 170.300 1.326 50 0 ADAARP C[C@@H]([C@@H]1CC[NH2+]C1)[NH+]1CCCC1 238431129 344806521 /nfs/dbraw/zinc/80/65/21/344806521.db2.gz YJFKQBKLZOOPFI-VHSXEESVSA-N 2 0 168.284 1.080 50 0 ADAARP C[C@@H]([C@@H]1CC[NH2+]C1)[NH+]1CCCCC1 238431144 344806539 /nfs/dbraw/zinc/80/65/39/344806539.db2.gz WFUPRVZMJKEGBE-WDEREUQCSA-N 2 0 182.311 1.470 50 0 ADAARP C[C@@H]([C@H]1CC[NH2+]C1)[NH+]1CCCCC1 238436596 344806853 /nfs/dbraw/zinc/80/68/53/344806853.db2.gz WFUPRVZMJKEGBE-QWRGUYRKSA-N 2 0 182.311 1.470 50 0 ADAARP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 238854565 344823975 /nfs/dbraw/zinc/82/39/75/344823975.db2.gz OKEPAFIFRLMKQH-RYUDHWBXSA-N 2 0 196.338 1.860 50 0 in-vitro ADAARP CC(C)[N@@H+]1C[C@@H]2CC[C@H](C1)[C@H]2[NH3+] 238855642 344824232 /nfs/dbraw/zinc/82/42/32/344824232.db2.gz SHYSXJBPBGOXED-ILWJIGKKSA-N 2 0 168.284 1.064 50 0 ADAARP CC(C)[N@@H+]1C[C@@H]2CC[C@H](C1)[C@@H]2[NH3+] 238855643 344824242 /nfs/dbraw/zinc/82/42/42/344824242.db2.gz SHYSXJBPBGOXED-MYJAWHEDSA-N 2 0 168.284 1.064 50 0 ADAARP C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 239297256 344824420 /nfs/dbraw/zinc/82/44/20/344824420.db2.gz DUVQFTFUAMXIGS-NXEZZACHSA-N 2 0 168.284 1.080 50 0 in-vitro ADAARP C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 239297257 344824474 /nfs/dbraw/zinc/82/44/74/344824474.db2.gz DUVQFTFUAMXIGS-VHSXEESVSA-N 2 0 168.284 1.080 50 0 in-vitro ADAARP CC[C@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 247722322 344826701 /nfs/dbraw/zinc/82/67/01/344826701.db2.gz BKQGLRKYQKWJGE-RYUDHWBXSA-N 2 0 196.338 1.860 50 0 ADAARP CC[C@@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 247722317 344826705 /nfs/dbraw/zinc/82/67/05/344826705.db2.gz BKQGLRKYQKWJGE-NWDGAFQWSA-N 2 0 196.338 1.860 50 0 ADAARP C[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 247960236 344827086 /nfs/dbraw/zinc/82/70/86/344827086.db2.gz CYIPMFGUWLWJBY-RYUDHWBXSA-N 2 0 196.338 1.718 50 0 ADAARP C[N@@H+]1CCC[C@@H]1[C@H]1CCC[NH2+]C1 248087571 344827275 /nfs/dbraw/zinc/82/72/75/344827275.db2.gz BPOJUAZWENUSBT-VHSXEESVSA-N 2 0 168.284 1.080 50 0 ADAARP C[NH+](C)CC12CCC([NH3+])(CC1)CC2 306938701 345708344 /nfs/dbraw/zinc/70/83/44/345708344.db2.gz NJIYFPSZVBKVBL-UHFFFAOYSA-N 2 0 182.311 1.600 50 0 ADAARP C1CC[NH+]([C@@H]2CC[C@H]3C[NH2+]C[C@H]32)C1 307021211 345758645 /nfs/dbraw/zinc/75/86/45/345758645.db2.gz GCFVJUMYTDWRHI-HBNTYKKESA-N 2 0 180.295 1.080 50 0 ADAARP C1CC[NH+]([C@@H]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 307021217 345758729 /nfs/dbraw/zinc/75/87/29/345758729.db2.gz GCFVJUMYTDWRHI-OUAUKWLOSA-N 2 0 180.295 1.080 50 0 ADAARP C1CC[NH+]([C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)C1 307021202 345758754 /nfs/dbraw/zinc/75/87/54/345758754.db2.gz GCFVJUMYTDWRHI-GARJFASQSA-N 2 0 180.295 1.080 50 0 ADAARP C1CC[NH+]([C@@H]2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 307711920 346197639 /nfs/dbraw/zinc/19/76/39/346197639.db2.gz VNSBXTWZTXJDBC-GRYCIOLGSA-N 2 0 194.322 1.470 50 0 ADAARP C1CC[NH+]([C@@H]2CC[C@@H]3C[NH2+]C[C@H]32)CC1 307711921 346197734 /nfs/dbraw/zinc/19/77/34/346197734.db2.gz VNSBXTWZTXJDBC-IJLUTSLNSA-N 2 0 194.322 1.470 50 0 ADAARP C1CC[NH+]([C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)CC1 307711923 346197857 /nfs/dbraw/zinc/19/78/57/346197857.db2.gz VNSBXTWZTXJDBC-SDDRHHMPSA-N 2 0 194.322 1.470 50 0 ADAARP C1CC[NH+]([C@@H]2CC[C@H]3C[NH2+]C[C@H]32)CC1 307711922 346197897 /nfs/dbraw/zinc/19/78/97/346197897.db2.gz VNSBXTWZTXJDBC-QJPTWQEYSA-N 2 0 194.322 1.470 50 0 ADAARP C[NH+](C)C1(C)CCC([NH3+])CC1 584880020 346746645 /nfs/dbraw/zinc/74/66/45/346746645.db2.gz HVEVCNLWVQAPHU-UHFFFAOYSA-N 2 0 156.273 1.208 50 0 in-vitro ADAARP C1CC[NH+](C[C@H]2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 601012568 346918700 /nfs/dbraw/zinc/91/87/00/346918700.db2.gz NHFLHIXQDPNIAX-ZSBIGDGJSA-N 2 0 194.322 1.328 50 0 ADAARP C1CC[NH+](CC2C[C@@H]3C[NH2+]C[C@H]3C2)C1 601012567 346918739 /nfs/dbraw/zinc/91/87/39/346918739.db2.gz NHFLHIXQDPNIAX-VXGBXAGGSA-N 2 0 194.322 1.328 50 0 ADAARP C[NH+](C)C12CCC(C[NH3+])(CC1)CC2 601012376 346918789 /nfs/dbraw/zinc/91/87/89/346918789.db2.gz CYMPXQQIOCEYTQ-UHFFFAOYSA-N 2 0 182.311 1.600 50 0 ADAARP C1C[C@@H]2C[NH2+]C[C@H]2[C@H]([NH+]2CCCC2)C1 601014835 346919212 /nfs/dbraw/zinc/91/92/12/346919212.db2.gz YREKLBLLFZUGDS-IJLUTSLNSA-N 2 0 194.322 1.470 50 0 ADAARP C1C[C@@H]2C[NH2+]C[C@@H]2[C@H]([NH+]2CCCC2)C1 601014834 346919279 /nfs/dbraw/zinc/91/92/79/346919279.db2.gz YREKLBLLFZUGDS-GRYCIOLGSA-N 2 0 194.322 1.470 50 0 ADAARP C1C[C@@H]2C[NH2+]C[C@H]2[C@@H]([NH+]2CCCC2)C1 601014836 346919473 /nfs/dbraw/zinc/91/94/73/346919473.db2.gz YREKLBLLFZUGDS-UTUOFQBUSA-N 2 0 194.322 1.470 50 0 ADAARP C1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]([NH+]2CCCC2)C1 601014837 346919488 /nfs/dbraw/zinc/91/94/88/346919488.db2.gz YREKLBLLFZUGDS-WOPDTQHZSA-N 2 0 194.322 1.470 50 0 ADAARP C[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 299465 351275352 /nfs/dbraw/zinc/27/53/52/351275352.db2.gz HOMQMBUOTAUPAK-SNVBAGLBSA-N 2 0 182.311 1.470 50 0 in-vitro ADAARP CC(C)C[NH+]1CCC([NH3+])CC1 2524904 351309101 /nfs/dbraw/zinc/30/91/01/351309101.db2.gz ZXVWFOMYPHVUGO-UHFFFAOYSA-N 2 0 156.273 1.066 50 0 in-vitro ADAARP CC(C)CC[NH2+]CCCCC[NH3+] 3632115 351318100 /nfs/dbraw/zinc/31/81/00/351318100.db2.gz YJPZNMGMIWIVPG-UHFFFAOYSA-N 2 0 172.316 1.751 50 0 ADAARP C[C@@H]1CCCC[N@@H+]1CCCC[NH3+] 4226747 351325796 /nfs/dbraw/zinc/32/57/96/351325796.db2.gz BGZRDDRSXVZQOG-SNVBAGLBSA-N 2 0 170.300 1.600 50 0 ADAARP C[C@@H]1CCCC[N@@H+]1CCC[NH3+] 4226735 351325823 /nfs/dbraw/zinc/32/58/23/351325823.db2.gz YYAYTNPNFKPFNG-SECBINFHSA-N 2 0 156.273 1.210 50 0 ADAARP C[C@@H]1CCC[N@H+](CCCC[NH3+])C1 4226751 351325866 /nfs/dbraw/zinc/32/58/66/351325866.db2.gz SMIJPPCHKFBTMW-SNVBAGLBSA-N 2 0 170.300 1.457 50 0 ADAARP C[C@@H]1CCC[C@@H](C)[NH+]1CCC[NH3+] 4299024 351327715 /nfs/dbraw/zinc/32/77/15/351327715.db2.gz GHJFLCNNVJBMEX-NXEZZACHSA-N 2 0 170.300 1.598 50 0 in-vitro ADAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH+](C)C 4837126 351334670 /nfs/dbraw/zinc/33/46/70/351334670.db2.gz YTSOCSSFMLFCRS-BBBLOLIVSA-N 2 0 170.300 1.277 50 0 ADAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH+](C)C 4837128 351334757 /nfs/dbraw/zinc/33/47/57/351334757.db2.gz YTSOCSSFMLFCRS-OPRDCNLKSA-N 2 0 170.300 1.277 50 0 ADAARP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH3+])C1 4967404 351335752 /nfs/dbraw/zinc/33/57/52/351335752.db2.gz DZXDFGJXATZQKS-NXEZZACHSA-N 2 0 170.300 1.313 50 0 in-vitro ADAARP c1coc(C[NH2+]CC2CC[NH2+]CC2)c1 10434732 351359604 /nfs/dbraw/zinc/35/96/04/351359604.db2.gz OSGSVNXUEJPKPW-UHFFFAOYSA-N 2 0 194.278 1.369 50 0 ADAARP CC(C)CC[NH+]1CCC([NH3+])CC1 11729458 351360801 /nfs/dbraw/zinc/36/08/01/351360801.db2.gz YVEVKXDLQFYGOF-UHFFFAOYSA-N 2 0 170.300 1.456 50 0 in-vitro ADAARP CC(C)C[N@@H+]1CCC[C@@H](C[NH3+])C1 11888273 351361842 /nfs/dbraw/zinc/36/18/42/351361842.db2.gz AFYKCTGWHMTWLK-JTQLQIEISA-N 2 0 170.300 1.313 50 0 ADAARP CC(C)C[NH+]1CCC(C[NH3+])CC1 11888976 351361882 /nfs/dbraw/zinc/36/18/82/351361882.db2.gz PGTRGAHRESDWCZ-UHFFFAOYSA-N 2 0 170.300 1.313 50 0 in-vitro ADAARP CC(C)CC[NH+]1CCC(C[NH3+])CC1 11888982 351362249 /nfs/dbraw/zinc/36/22/49/351362249.db2.gz MYCYINJSLUPNIA-UHFFFAOYSA-N 2 0 184.327 1.703 50 0 ADAARP CC(C)C[N@@H+]1CCC[C@H](C[NH3+])C1 11888277 351362321 /nfs/dbraw/zinc/36/23/21/351362321.db2.gz AFYKCTGWHMTWLK-SNVBAGLBSA-N 2 0 170.300 1.313 50 0 ADAARP CC[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 12404777 351365401 /nfs/dbraw/zinc/36/54/01/351365401.db2.gz UXHLFFAPGDGJKW-BDAKNGLRSA-N 2 0 156.273 1.066 50 0 ADAARP CC(C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C 13805171 351371999 /nfs/dbraw/zinc/37/19/99/351371999.db2.gz HPZNNGZRGQPIRY-SDDRHHMPSA-N 2 0 198.354 1.961 50 0 ADAARP CC(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C 13805165 351372098 /nfs/dbraw/zinc/37/20/98/351372098.db2.gz HPZNNGZRGQPIRY-QJPTWQEYSA-N 2 0 198.354 1.961 50 0 ADAARP c1cc(NC2CC[NH2+]CC2)cc[nH+]1 15443535 351379052 /nfs/dbraw/zinc/37/90/52/351379052.db2.gz SESXBIFUTWZZOU-UHFFFAOYSA-N 2 0 177.251 1.246 50 0 ADAARP CC(C)C[N@@H+]1CCCC[C@@H]1CC[NH3+] 19089493 351386357 /nfs/dbraw/zinc/38/63/57/351386357.db2.gz FQDBLXOMWPGHEF-LLVKDONJSA-N 2 0 184.327 1.846 50 0 in-vitro ADAARP CC(C)C[N@@H+]1CCCC[C@H]1CC[NH3+] 19089496 351386400 /nfs/dbraw/zinc/38/64/00/351386400.db2.gz FQDBLXOMWPGHEF-NSHDSACASA-N 2 0 184.327 1.846 50 0 in-vitro ADAARP C[C@@H]1C[C@@H](C)C[NH+](C2CC[NH2+]CC2)C1 19473715 351391399 /nfs/dbraw/zinc/39/13/99/351391399.db2.gz SVXLDJZOZAEIHM-GHMZBOCLSA-N 2 0 196.338 1.716 50 0 in-vitro ADAARP CC[C@@H](C)[NH+]1CCC([NH3+])CC1 19506935 351391424 /nfs/dbraw/zinc/39/14/24/351391424.db2.gz DBBKREWGWFNQHZ-MRVPVSSYSA-N 2 0 156.273 1.208 50 0 ADAARP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 20270224 351402306 /nfs/dbraw/zinc/40/23/06/351402306.db2.gz OKEPAFIFRLMKQH-VXGBXAGGSA-N 2 0 196.338 1.860 50 0 in-vitro ADAARP C[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 20270226 351402832 /nfs/dbraw/zinc/40/28/32/351402832.db2.gz CYIPMFGUWLWJBY-VXGBXAGGSA-N 2 0 196.338 1.718 50 0 ADAARP C[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 21949590 351409152 /nfs/dbraw/zinc/40/91/52/351409152.db2.gz LVDXXPZDCQZLPH-LLVKDONJSA-N 2 0 196.338 1.860 50 0 ADAARP C[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 21949652 351409212 /nfs/dbraw/zinc/40/92/12/351409212.db2.gz IHMUZVOIYBRQJI-LLVKDONJSA-N 2 0 196.338 1.718 50 0 in-vitro ADAARP CC(C)C[NH+](CCC[NH3+])CC(C)C 32919744 351430416 /nfs/dbraw/zinc/43/04/16/351430416.db2.gz SYBRKHKSXSENCQ-UHFFFAOYSA-N 2 0 186.343 1.949 50 0 ADAARP c1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 33506778 351431304 /nfs/dbraw/zinc/43/13/04/351431304.db2.gz HUJYJEPNVYXEND-UHFFFAOYSA-N 2 0 190.290 1.528 50 0 ADAARP CC[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 34679230 351444499 /nfs/dbraw/zinc/44/44/99/351444499.db2.gz UXHLFFAPGDGJKW-RKDXNWHRSA-N 2 0 156.273 1.066 50 0 ADAARP CC(C)C[N@H+](C)C1CC[NH2+]CC1 37108669 351463348 /nfs/dbraw/zinc/46/33/48/351463348.db2.gz CBENZCKGTXTGSH-UHFFFAOYSA-N 2 0 170.300 1.326 50 0 ADAARP CC(C)=CC[NH+]1CCC([NH3+])CC1 37118227 351463501 /nfs/dbraw/zinc/46/35/01/351463501.db2.gz PAGWRPSCTUYREK-UHFFFAOYSA-N 2 0 168.284 1.376 50 0 in-vitro ADAARP C[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 37911098 351475639 /nfs/dbraw/zinc/47/56/39/351475639.db2.gz WYSNSNBDMIDQDR-SECBINFHSA-N 2 0 168.284 1.223 50 0 ADAARP CC(C)C[C@H]([NH3+])C[NH+]1CCCC1 39140988 351496583 /nfs/dbraw/zinc/49/65/83/351496583.db2.gz JPCJGXMPQZCGAJ-JTQLQIEISA-N 2 0 170.300 1.456 50 0 in-vitro ADAARP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 42783407 351524712 /nfs/dbraw/zinc/52/47/12/351524712.db2.gz YYLITIYWIMAUSJ-GHMZBOCLSA-N 2 0 182.311 1.470 50 0 ADAARP C[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 42783409 351525455 /nfs/dbraw/zinc/52/54/55/351525455.db2.gz USMGXHWFMCYOLP-GHMZBOCLSA-N 2 0 182.311 1.328 50 0 ADAARP CC(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C 57653017 351579871 /nfs/dbraw/zinc/57/98/71/351579871.db2.gz HPZNNGZRGQPIRY-IJLUTSLNSA-N 2 0 198.354 1.961 50 0 ADAARP CC(C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C 57653020 351580259 /nfs/dbraw/zinc/58/02/59/351580259.db2.gz HPZNNGZRGQPIRY-GRYCIOLGSA-N 2 0 198.354 1.961 50 0 ADAARP CC(C)CCC[NH+]1CCC([NH3+])CC1 62097912 351586051 /nfs/dbraw/zinc/58/60/51/351586051.db2.gz OXXNBHWUDXEMDD-UHFFFAOYSA-N 2 0 184.327 1.846 50 0 ADAARP CC(C)([NH3+])CC[NH+]1CCCCCC1 74282332 351620983 /nfs/dbraw/zinc/62/09/83/351620983.db2.gz JKVMGGHPNDBTGP-UHFFFAOYSA-N 2 0 184.327 1.990 50 0 in-vitro ADAARP CC(C)([NH3+])CC[NH+]1CCCC1 82406191 351636880 /nfs/dbraw/zinc/63/68/80/351636880.db2.gz NPSGZUYANLXYQA-UHFFFAOYSA-N 2 0 156.273 1.210 50 0 ADAARP CC[NH+](CC)CC([NH3+])(CC)CC 86814246 351655890 /nfs/dbraw/zinc/65/58/90/351655890.db2.gz YIFNKVIYRJKUSV-UHFFFAOYSA-N 2 0 172.316 1.846 50 0 ADAARP [NH3+]C1(C[NH+]2CCCCC2)CCC1 88051674 351660852 /nfs/dbraw/zinc/66/08/52/351660852.db2.gz MFJHHEUWMWYMIR-UHFFFAOYSA-N 2 0 168.284 1.354 50 0 ADAARP CC(C)=CC[N@H+]1CC=C(CC[NH3+])CC1 95221243 351670068 /nfs/dbraw/zinc/67/00/68/351670068.db2.gz XJRFMUVVRXXXRN-UHFFFAOYSA-N 2 0 194.322 1.934 50 0 ADAARP CC(C)([NH3+])[C@H]1CC[C@](C)([NH3+])CC1 100438860 351696409 /nfs/dbraw/zinc/69/64/09/351696409.db2.gz KOGSPLLRMRSADR-WAAGHKOSSA-N 2 0 170.300 1.631 50 0 ADAARP CC(C)C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 128868776 351734149 /nfs/dbraw/zinc/73/41/49/351734149.db2.gz XMCDUBXERYSHNR-NEPJUHHUSA-N 2 0 196.338 1.716 50 0 ADAARP CC(C)C[NH2+][C@H]1CC[C@@H]([NH3+])CC1 238140981 351818418 /nfs/dbraw/zinc/81/84/18/351818418.db2.gz JBRDTBZFJQRXGL-MGCOHNPYSA-N 2 0 170.300 1.502 50 0 ADAARP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 238854563 351825832 /nfs/dbraw/zinc/82/58/32/351825832.db2.gz OKEPAFIFRLMKQH-NEPJUHHUSA-N 2 0 196.338 1.860 50 0 in-vitro ADAARP C[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 247960233 351830382 /nfs/dbraw/zinc/83/03/82/351830382.db2.gz CYIPMFGUWLWJBY-NEPJUHHUSA-N 2 0 196.338 1.718 50 0 ADAARP C[C@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 248098388 351830837 /nfs/dbraw/zinc/83/08/37/351830837.db2.gz YYLITIYWIMAUSJ-QWRGUYRKSA-N 2 0 182.311 1.470 50 0 ADAARP C[C@@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 248098385 351831008 /nfs/dbraw/zinc/83/10/08/351831008.db2.gz YYLITIYWIMAUSJ-MNOVXSKESA-N 2 0 182.311 1.470 50 0 ADAARP C[C@@H]1CCC[C@@H](CC[NH+](C)C)[NH2+]1 307335170 352004051 /nfs/dbraw/zinc/00/40/51/352004051.db2.gz CFQFKQJQJSLRMN-ZJUUUORDSA-N 2 0 170.300 1.469 50 0 ADAARP CCC1([NH+]2CCC2)CC[NH2+]CC1 536953631 352191955 /nfs/dbraw/zinc/19/19/55/352191955.db2.gz IAYWDMRAEZRGIB-UHFFFAOYSA-N 2 0 168.284 1.224 50 0 ADAARP C[NH+](C)Cc1ccc(C(N)=[NH2+])cc1 19429745 371627241 /nfs/dbraw/zinc/62/72/41/371627241.db2.gz CUUIWVMCERIQKI-UHFFFAOYSA-N 2 0 177.251 1.032 50 0 in-vitro ADAARP CC(C)([NH3+])C[NH+]1CCCCC1 32445505 371631898 /nfs/dbraw/zinc/63/18/98/371631898.db2.gz IMBNEKOMEDCTCL-UHFFFAOYSA-N 2 0 156.273 1.210 50 0 in-vitro ADAARP C[NH2+]CCCC[NH2+]C[C@H]1C[C@H]1C 167565342 371683737 /nfs/dbraw/zinc/68/37/37/371683737.db2.gz QRVYPWDPWFXDQE-NXEZZACHSA-N 2 0 170.300 1.232 50 0 ADAARP C[NH2+]CCCC[NH2+]C[C@@H]1C[C@H]1C 167565555 371683961 /nfs/dbraw/zinc/68/39/61/371683961.db2.gz QRVYPWDPWFXDQE-ZJUUUORDSA-N 2 0 170.300 1.232 50 0 ADAARP CC[N@@H+]1CCC[C@H](CC[NH3+])C1 70074103 375321062 /nfs/dbraw/zinc/32/10/62/375321062.db2.gz MQHMWFNZKVLPAT-SECBINFHSA-N 2 0 156.273 1.067 50 0 ADAARP CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 70074104 375320989 /nfs/dbraw/zinc/32/09/89/375320989.db2.gz MQHMWFNZKVLPAT-VIFPVBQESA-N 2 0 156.273 1.067 50 0 ADAARP CC[NH+](CC)[C@H]1CCC[NH2+]CC1 82666594 375368248 /nfs/dbraw/zinc/36/82/48/375368248.db2.gz DNUNNDNXLGZGDL-JTQLQIEISA-N 2 0 170.300 1.470 50 0 ADAARP CC[NH+](CC)[C@@H]1CCC[NH2+]CC1 82666593 375368546 /nfs/dbraw/zinc/36/85/46/375368546.db2.gz DNUNNDNXLGZGDL-SNVBAGLBSA-N 2 0 170.300 1.470 50 0 ADAARP C[C@H]([C@@H]1CC[NH2+]C1)[NH+]1CCCC1 238481334 375428584 /nfs/dbraw/zinc/42/85/84/375428584.db2.gz YJFKQBKLZOOPFI-NXEZZACHSA-N 2 0 168.284 1.080 50 0 ADAARP C[C@H]([C@@H]1CC[NH2+]C1)[NH+]1CCCCC1 238481347 375428750 /nfs/dbraw/zinc/42/87/50/375428750.db2.gz WFUPRVZMJKEGBE-GHMZBOCLSA-N 2 0 182.311 1.470 50 0 ADAARP C[N@H+](C[C@H]1CCC[NH2+]C1)CC(C)(C)C 45074017 409365574 /nfs/dbraw/zinc/36/55/74/409365574.db2.gz OBUVEGHBESPDDL-NSHDSACASA-N 2 0 198.354 1.964 50 0 ADAARP C[N@H+](C[C@@H]1CCC[NH2+]C1)CC(C)(C)C 45074016 409366822 /nfs/dbraw/zinc/36/68/22/409366822.db2.gz OBUVEGHBESPDDL-LLVKDONJSA-N 2 0 198.354 1.964 50 0 ADAARP [NH3+][C@@H]1CC[NH2+][C@H](C2CCCCC2)C1 107129072 573366636 /nfs/dbraw/zinc/36/66/36/573366636.db2.gz GJWBPFSNANHKHK-MNOVXSKESA-N 2 0 182.311 1.646 50 0 ADAARP [NH3+]C1CC([NH2+]Cc2ccccc2)C1 87651045 573995464 /nfs/dbraw/zinc/99/54/64/573995464.db2.gz WEYXNJCVDOXKAR-UHFFFAOYSA-N 2 0 176.263 1.266 50 0 ADAARP C[C@@H]1C[C@@H](C2CCCCC2)[NH2+]C[C@H]1[NH3+] 757211866 630933297 /nfs/dbraw/zinc/93/32/97/630933297.db2.gz KLEMZLQCOSMVMW-JLLWLGSASA-N 2 0 196.338 1.892 50 0 ADAARP C[C@@H]1C[C@@H](C2CCCCC2)[NH2+]C[C@@H]1[NH3+] 757211867 630933624 /nfs/dbraw/zinc/93/36/24/630933624.db2.gz KLEMZLQCOSMVMW-USWWRNFRSA-N 2 0 196.338 1.892 50 0 ADAARP C[C@@H]1C[C@H](C2CCCCC2)[NH2+]C[C@@H]1[NH3+] 757211864 630933701 /nfs/dbraw/zinc/93/37/01/630933701.db2.gz KLEMZLQCOSMVMW-ADEWGFFLSA-N 2 0 196.338 1.892 50 0 ADAARP [NH3+][C@H]1CCC[NH2+][C@H]1C1CCCCC1 84343834 631158053 /nfs/dbraw/zinc/15/80/53/631158053.db2.gz GFMSRLFQVPVUHZ-QWRGUYRKSA-N 2 0 182.311 1.646 50 0 ADAARP [NH3+][C@@H]1CCC[NH2+][C@H]1C1CCCCC1 84343829 631158302 /nfs/dbraw/zinc/15/83/02/631158302.db2.gz GFMSRLFQVPVUHZ-MNOVXSKESA-N 2 0 182.311 1.646 50 0 ADAARP [NH3+][C@H]1CCC[NH2+][C@@H]1C1CCCCC1 84343831 631158976 /nfs/dbraw/zinc/15/89/76/631158976.db2.gz GFMSRLFQVPVUHZ-WDEREUQCSA-N 2 0 182.311 1.646 50 0 ADAARP Cc1cc(N2CC[NH2+]CC2)cc(C)[nH+]1 95192349 525082412 /nfs/dbraw/zinc/08/24/12/525082412.db2.gz BCANMDDAARPKKQ-UHFFFAOYSA-N 2 0 191.278 1.108 50 0 in-vitro ADAARP CC1([NH+]2CCC2)CCC([NH3+])CC1 675050360 538447893 /nfs/dbraw/zinc/44/78/93/538447893.db2.gz QUINXQDNOPMTFA-UHFFFAOYSA-N 2 0 168.284 1.352 50 0 ADAARP Cc1c[nH+]cc(C)c1N1CC[NH2+]CC1 82389216 526185539 /nfs/dbraw/zinc/18/55/39/526185539.db2.gz FQSHCYOLEIVSHX-UHFFFAOYSA-N 2 0 191.278 1.108 50 0 ADAARP