smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNc1nc(C2CC2)[nH+]cc1O 307468090 533080212 /nfs/dbraw/zinc/08/02/12/533080212.db2.gz QOVWLBGZNJVMRW-UHFFFAOYSA-N 1 2 165.196 1.101 10 0 ADAELO O=Nc1ccc2[nH+]ccn2c1 504815653 534855543 /nfs/dbraw/zinc/85/55/43/534855543.db2.gz FWJBIJOYXIRCBW-UHFFFAOYSA-N 1 2 147.137 1.732 10 0 ADAELO CC(C)CN1CCNc2ccc[nH+]c21 49455875 535107211 /nfs/dbraw/zinc/10/72/11/535107211.db2.gz YDLRUGZCOWXHPP-UHFFFAOYSA-N 1 2 191.278 1.970 10 0 ADAELO CC[NH2+][C@H]1C=Nc2ccccc2N1C 95924154 535516061 /nfs/dbraw/zinc/51/60/61/535516061.db2.gz OFUOCOJXBLMPGI-LLVKDONJSA-N 1 2 189.262 1.774 10 0 ADAELO CC[NH2+]c1ccc2c(c1)OCCN2C 36258829 535525605 /nfs/dbraw/zinc/52/56/05/535525605.db2.gz WRKYXNKRTGGAAV-UHFFFAOYSA-N 1 2 192.262 1.947 10 0 ADAELO CCN1CCN(CC)c2[nH+]cccc21 39115459 535674862 /nfs/dbraw/zinc/67/48/62/535674862.db2.gz GQEXRDNYJRCZND-UHFFFAOYSA-N 1 2 191.278 1.748 10 0 ADAELO Cc1nc(C)c(C[NH+]2CCOCC2)o1 34638993 537791337 /nfs/dbraw/zinc/79/13/37/537791337.db2.gz KHJCKBJTJZOPOM-UHFFFAOYSA-N 1 2 196.250 1.124 10 0 ADAELO Cn1cc[nH+]c1-c1ccc(F)nc1 675082034 537807213 /nfs/dbraw/zinc/80/72/13/537807213.db2.gz BROYODNIUBDTKV-UHFFFAOYSA-N 1 2 177.182 1.621 10 0 ADAELO O=Cc1cncc(-c2c[nH]c[nH+]2)c1 675081971 537809956 /nfs/dbraw/zinc/80/99/56/537809956.db2.gz ARYSINAPAPAPKJ-UHFFFAOYSA-N 1 2 173.175 1.284 10 0 ADAELO COC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]21 685947718 537821815 /nfs/dbraw/zinc/82/18/15/537821815.db2.gz QQBKVOILOPHSMR-IVZWLZJFSA-N 1 2 197.278 1.328 10 0 ADAELO CC[NH2+]C1(C(=O)OC(C)(C)C)CC1 685947767 537822509 /nfs/dbraw/zinc/82/25/09/537822509.db2.gz PQHXITPCIHZWAX-UHFFFAOYSA-N 1 2 185.267 1.470 10 0 ADAELO COC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 685947727 537823582 /nfs/dbraw/zinc/82/35/82/537823582.db2.gz QQBKVOILOPHSMR-OPRDCNLKSA-N 1 2 197.278 1.328 10 0 ADAELO COC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]21 685947725 537823829 /nfs/dbraw/zinc/82/38/29/537823829.db2.gz QQBKVOILOPHSMR-LPEHRKFASA-N 1 2 197.278 1.328 10 0 ADAELO COC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 685947723 537824476 /nfs/dbraw/zinc/82/44/76/537824476.db2.gz QQBKVOILOPHSMR-KXUCPTDWSA-N 1 2 197.278 1.328 10 0 ADAELO Cc1[nH+]ccc([C@@H]2CCOC2)c1N 685949440 537825088 /nfs/dbraw/zinc/82/50/88/537825088.db2.gz RTPJZTFJNCVGAM-MRVPVSSYSA-N 1 2 178.235 1.476 10 0 ADAELO Cc1cc([C@H]2CCOC2)c(N)c[nH+]1 685949522 537826752 /nfs/dbraw/zinc/82/67/52/537826752.db2.gz SXCMENMRKKCETM-QMMMGPOBSA-N 1 2 178.235 1.476 10 0 ADAELO Cc1[nH+]ccc([C@H]2CCOC2)c1N 685949441 537827355 /nfs/dbraw/zinc/82/73/55/537827355.db2.gz RTPJZTFJNCVGAM-QMMMGPOBSA-N 1 2 178.235 1.476 10 0 ADAELO Cc1cc([C@@H]2CCOC2)c(N)c[nH+]1 685949521 537827602 /nfs/dbraw/zinc/82/76/02/537827602.db2.gz SXCMENMRKKCETM-MRVPVSSYSA-N 1 2 178.235 1.476 10 0 ADAELO CC[C@@H](C)[C@H]([NH3+])c1n[nH]c(C2CC2)n1 41058746 537843508 /nfs/dbraw/zinc/84/35/08/537843508.db2.gz NBRQEEZDBNCDJP-SVRRBLITSA-N 1 2 194.282 1.728 10 0 ADAELO CC[C@H](C)[C@@H]([NH3+])c1n[nH]c(C2CC2)n1 41058749 537841440 /nfs/dbraw/zinc/84/14/40/537841440.db2.gz NBRQEEZDBNCDJP-POYBYMJQSA-N 1 2 194.282 1.728 10 0 ADAELO CC[C@@H](C)[C@@H]([NH3+])c1n[nH]c(C2CC2)n1 41058748 537843423 /nfs/dbraw/zinc/84/34/23/537843423.db2.gz NBRQEEZDBNCDJP-HTRCEHHLSA-N 1 2 194.282 1.728 10 0 ADAELO CC[N@@H+]1CCC(=O)C12CCC(=O)CC2 685955239 537853160 /nfs/dbraw/zinc/85/31/60/537853160.db2.gz WNJQXYCVAKQDCD-UHFFFAOYSA-N 1 2 195.262 1.163 10 0 ADAELO CC[N@H+]1CCC(=O)C12CCC(=O)CC2 685955239 537853164 /nfs/dbraw/zinc/85/31/64/537853164.db2.gz WNJQXYCVAKQDCD-UHFFFAOYSA-N 1 2 195.262 1.163 10 0 ADAELO CCC[NH2+]CC(F)(F)C(=O)OCC 685957228 537854434 /nfs/dbraw/zinc/85/44/34/537854434.db2.gz NMKSCHIROHLNTK-UHFFFAOYSA-N 1 2 195.209 1.184 10 0 ADAELO CNCC(F)(F)C[N@H+](C)CC(C)C 685957006 537854637 /nfs/dbraw/zinc/85/46/37/537854637.db2.gz KBNVARIAXROAFO-UHFFFAOYSA-N 1 2 194.269 1.429 10 0 ADAELO CNCC(F)(F)C[N@@H+](C)CC(C)C 685957006 537854645 /nfs/dbraw/zinc/85/46/45/537854645.db2.gz KBNVARIAXROAFO-UHFFFAOYSA-N 1 2 194.269 1.429 10 0 ADAELO CNCC(F)(F)C[N@H+](C)CC1CC1 685957451 537855098 /nfs/dbraw/zinc/85/50/98/537855098.db2.gz RXKUHWQXFGXBBA-UHFFFAOYSA-N 1 2 192.253 1.183 10 0 ADAELO CNCC(F)(F)C[N@@H+](C)CC1CC1 685957451 537855106 /nfs/dbraw/zinc/85/51/06/537855106.db2.gz RXKUHWQXFGXBBA-UHFFFAOYSA-N 1 2 192.253 1.183 10 0 ADAELO CCC[N@H+](CC)CC(F)(F)CNC 685957434 537855657 /nfs/dbraw/zinc/85/56/57/537855657.db2.gz RLMREPGMEXUGDG-UHFFFAOYSA-N 1 2 194.269 1.573 10 0 ADAELO CNCC(F)(F)C[N@@H+]1CC[C@H](C)C1 685957102 537855560 /nfs/dbraw/zinc/85/55/60/537855560.db2.gz MJEYNGPSKAZGKS-QMMMGPOBSA-N 1 2 192.253 1.183 10 0 ADAELO CNCC(F)(F)C[N@H+]1CC[C@H](C)C1 685957102 537855565 /nfs/dbraw/zinc/85/55/65/537855565.db2.gz MJEYNGPSKAZGKS-QMMMGPOBSA-N 1 2 192.253 1.183 10 0 ADAELO CCC[N@@H+](CC)CC(F)(F)CNC 685957434 537855661 /nfs/dbraw/zinc/85/56/61/537855661.db2.gz RLMREPGMEXUGDG-UHFFFAOYSA-N 1 2 194.269 1.573 10 0 ADAELO FC(F)(C[NH2+]C1CC1)CN1CCC1 685956594 537855687 /nfs/dbraw/zinc/85/56/87/537855687.db2.gz GPYKHAWHTRYTET-UHFFFAOYSA-N 1 2 190.237 1.079 10 0 ADAELO CC[C@H](C)[N@H+](C)CC(F)(F)CNC 685957738 537855970 /nfs/dbraw/zinc/85/59/70/537855970.db2.gz ZQLYKPAASVMRGD-QMMMGPOBSA-N 1 2 194.269 1.571 10 0 ADAELO CC[C@H](C)[N@@H+](C)CC(F)(F)CNC 685957738 537855976 /nfs/dbraw/zinc/85/59/76/537855976.db2.gz ZQLYKPAASVMRGD-QMMMGPOBSA-N 1 2 194.269 1.571 10 0 ADAELO CC[N@H+](CC(F)(F)CNC)C(C)C 685956719 537856168 /nfs/dbraw/zinc/85/61/68/537856168.db2.gz DVRHODOJHFWJLF-UHFFFAOYSA-N 1 2 194.269 1.571 10 0 ADAELO CC[N@@H+](CC(F)(F)CNC)C(C)C 685956719 537856176 /nfs/dbraw/zinc/85/61/76/537856176.db2.gz DVRHODOJHFWJLF-UHFFFAOYSA-N 1 2 194.269 1.571 10 0 ADAELO CC[C@@H](C)[N@H+](C)CC(F)(F)CNC 685957737 537856202 /nfs/dbraw/zinc/85/62/02/537856202.db2.gz ZQLYKPAASVMRGD-MRVPVSSYSA-N 1 2 194.269 1.571 10 0 ADAELO CC[C@@H](C)[N@@H+](C)CC(F)(F)CNC 685957737 537856209 /nfs/dbraw/zinc/85/62/09/537856209.db2.gz ZQLYKPAASVMRGD-MRVPVSSYSA-N 1 2 194.269 1.571 10 0 ADAELO CCN(C)CC(F)(F)C[NH2+]C1CC1 685956748 537856480 /nfs/dbraw/zinc/85/64/80/537856480.db2.gz IWACJCGLIQSJHL-UHFFFAOYSA-N 1 2 192.253 1.325 10 0 ADAELO CNCC(F)(F)C[N@@H+]1CC[C@@H](C)C1 685957101 537856575 /nfs/dbraw/zinc/85/65/75/537856575.db2.gz MJEYNGPSKAZGKS-MRVPVSSYSA-N 1 2 192.253 1.183 10 0 ADAELO CNCC(F)(F)C[N@H+]1CC[C@@H](C)C1 685957101 537856585 /nfs/dbraw/zinc/85/65/85/537856585.db2.gz MJEYNGPSKAZGKS-MRVPVSSYSA-N 1 2 192.253 1.183 10 0 ADAELO CNCC(F)(F)C[N@@H+]1CCC[C@@H]1C 685957065 537857165 /nfs/dbraw/zinc/85/71/65/537857165.db2.gz LIFIIHUTNDUJEF-QMMMGPOBSA-N 1 2 192.253 1.325 10 0 ADAELO CNCC(F)(F)C[N@H+]1CCC[C@@H]1C 685957065 537857171 /nfs/dbraw/zinc/85/71/71/537857171.db2.gz LIFIIHUTNDUJEF-QMMMGPOBSA-N 1 2 192.253 1.325 10 0 ADAELO CNCC(F)(F)C[N@@H+]1CCC[C@H]1C 685957064 537857596 /nfs/dbraw/zinc/85/75/96/537857596.db2.gz LIFIIHUTNDUJEF-MRVPVSSYSA-N 1 2 192.253 1.325 10 0 ADAELO CNCC(F)(F)C[N@H+]1CCC[C@H]1C 685957064 537857600 /nfs/dbraw/zinc/85/76/00/537857600.db2.gz LIFIIHUTNDUJEF-MRVPVSSYSA-N 1 2 192.253 1.325 10 0 ADAELO CNCC(F)(F)C[N@H+](C)C(C)(C)C 685957954 537861329 /nfs/dbraw/zinc/86/13/29/537861329.db2.gz MFWCWSXJGMGCCM-UHFFFAOYSA-N 1 2 194.269 1.571 10 0 ADAELO CNCC(F)(F)C[N@@H+](C)C(C)(C)C 685957954 537861334 /nfs/dbraw/zinc/86/13/34/537861334.db2.gz MFWCWSXJGMGCCM-UHFFFAOYSA-N 1 2 194.269 1.571 10 0 ADAELO Cc1cc(N)[nH+]cc1C(=O)OC(C)C 685959446 537862556 /nfs/dbraw/zinc/86/25/56/537862556.db2.gz OCBXOYZJMDWSMA-UHFFFAOYSA-N 1 2 194.234 1.537 10 0 ADAELO Nc1cn(Cc2ccc(F)cc2)c[nH+]1 74273032 537864573 /nfs/dbraw/zinc/86/45/73/537864573.db2.gz OQJVBHAXVMOTFE-UHFFFAOYSA-N 1 2 191.209 1.653 10 0 ADAELO Nc1cn(Cc2cccs2)c[nH+]1 74304878 537864873 /nfs/dbraw/zinc/86/48/73/537864873.db2.gz IFSRMISMDDUBGH-UHFFFAOYSA-N 1 2 179.248 1.575 10 0 ADAELO Nc1cn(Cc2cccc(F)c2)c[nH+]1 74273035 537865096 /nfs/dbraw/zinc/86/50/96/537865096.db2.gz KDUHDKOUJYXHEA-UHFFFAOYSA-N 1 2 191.209 1.653 10 0 ADAELO CO[C@@H]1CCC[C@H](n2c[nH+]c(N)c2)C1 685964220 537872471 /nfs/dbraw/zinc/87/24/71/537872471.db2.gz PRORUYVGFPQEHY-DTWKUNHWSA-N 1 2 195.266 1.595 10 0 ADAELO C=C(OCC)c1c[nH+]c(N)c(C)c1 685965047 537872603 /nfs/dbraw/zinc/87/26/03/537872603.db2.gz MDZBXHGAYVOBFX-UHFFFAOYSA-N 1 2 178.235 1.979 10 0 ADAELO CO[C@@H]1CCCC[C@@H]1n1c[nH+]c(N)c1 685964254 537872726 /nfs/dbraw/zinc/87/27/26/537872726.db2.gz YNBXDNCQIWOWEQ-DTWKUNHWSA-N 1 2 195.266 1.595 10 0 ADAELO Nc1cn(C[C@H]2Cc3ccccc32)c[nH+]1 685964143 537872754 /nfs/dbraw/zinc/87/27/54/537872754.db2.gz AHHFDCMHAQOSLL-SNVBAGLBSA-N 1 2 199.257 1.805 10 0 ADAELO CO[C@H]1CCCC[C@H]1n1c[nH+]c(N)c1 685964253 537872821 /nfs/dbraw/zinc/87/28/21/537872821.db2.gz YNBXDNCQIWOWEQ-BDAKNGLRSA-N 1 2 195.266 1.595 10 0 ADAELO Cn1c[nH+]c(/C=C/Br)c1 685964498 537873332 /nfs/dbraw/zinc/87/33/32/537873332.db2.gz JZXWKSFGZTUMCM-NSCUHMNNSA-N 1 2 187.040 1.786 10 0 ADAELO C=C(OCC)c1cc[nH+]c(N)c1 685965018 537873388 /nfs/dbraw/zinc/87/33/88/537873388.db2.gz KWVLNNGBARWBTD-UHFFFAOYSA-N 1 2 164.208 1.671 10 0 ADAELO CO[C@@H]1CCCC[C@H]1n1c[nH+]c(N)c1 685964256 537873612 /nfs/dbraw/zinc/87/36/12/537873612.db2.gz YNBXDNCQIWOWEQ-RKDXNWHRSA-N 1 2 195.266 1.595 10 0 ADAELO Nc1cn(C[C@@H]2Cc3ccccc32)c[nH+]1 685964142 537873716 /nfs/dbraw/zinc/87/37/16/537873716.db2.gz AHHFDCMHAQOSLL-JTQLQIEISA-N 1 2 199.257 1.805 10 0 ADAELO CC(C)CCOCCn1c[nH+]c(N)c1 685964226 537873831 /nfs/dbraw/zinc/87/38/31/537873831.db2.gz RPOOSAAXGGHDQI-UHFFFAOYSA-N 1 2 197.282 1.528 10 0 ADAELO BrC=Cc1c[nH]c[nH+]1 685963826 537873885 /nfs/dbraw/zinc/87/38/85/537873885.db2.gz HDAFOTXPIYNFMQ-OWOJBTEDSA-N 1 2 173.013 1.775 10 0 ADAELO CO[C@@H]1CCC[C@@H](n2c[nH+]c(N)c2)C1 685964222 537873929 /nfs/dbraw/zinc/87/39/29/537873929.db2.gz PRORUYVGFPQEHY-RKDXNWHRSA-N 1 2 195.266 1.595 10 0 ADAELO CO[C@H]1CCC[C@@H](n2c[nH+]c(N)c2)C1 685964219 537874129 /nfs/dbraw/zinc/87/41/29/537874129.db2.gz PRORUYVGFPQEHY-BDAKNGLRSA-N 1 2 195.266 1.595 10 0 ADAELO CO[C@H]1CCC[C@H](n2c[nH+]c(N)c2)C1 685964221 537874298 /nfs/dbraw/zinc/87/42/98/537874298.db2.gz PRORUYVGFPQEHY-IUCAKERBSA-N 1 2 195.266 1.595 10 0 ADAELO COCC1(Cn2c[nH+]c(N)c2)CCC1 685964187 537874554 /nfs/dbraw/zinc/87/45/54/537874554.db2.gz IZFYSLHWWIAWSR-UHFFFAOYSA-N 1 2 195.266 1.282 10 0 ADAELO Br/C=C/c1[nH]cc[nH+]1 685964100 537875276 /nfs/dbraw/zinc/87/52/76/537875276.db2.gz VZCLSQFHLGVUCE-OWOJBTEDSA-N 1 2 173.013 1.775 10 0 ADAELO CO[C@H]1CCCC[C@@H]1n1c[nH+]c(N)c1 685964255 537875309 /nfs/dbraw/zinc/87/53/09/537875309.db2.gz YNBXDNCQIWOWEQ-IUCAKERBSA-N 1 2 195.266 1.595 10 0 ADAELO C=C(OCC)c1ccc(N)[nH+]c1 685965300 537875847 /nfs/dbraw/zinc/87/58/47/537875847.db2.gz YTHGLOTZHAHWCY-UHFFFAOYSA-N 1 2 164.208 1.671 10 0 ADAELO CC[NH+](CC)Cc1nc(C=O)cs1 82686706 537885992 /nfs/dbraw/zinc/88/59/92/537885992.db2.gz ILTISIRAUPFQIC-UHFFFAOYSA-N 1 2 198.291 1.797 10 0 ADAELO c1ncc([C@H]2[NH2+]CCc3ccoc32)[nH]1 724777008 537887998 /nfs/dbraw/zinc/88/79/98/537887998.db2.gz INBTUYVMDFAOTR-SECBINFHSA-N 1 2 189.218 1.238 10 0 ADAELO c1ncc([C@@H]2[NH2+]CCc3occc32)[nH]1 724777517 537888085 /nfs/dbraw/zinc/88/80/85/537888085.db2.gz PYIZYYRCAYQZTN-SNVBAGLBSA-N 1 2 189.218 1.238 10 0 ADAELO c1ncc([C@H]2[NH2+]CCc3occc32)[nH]1 724777516 537888807 /nfs/dbraw/zinc/88/88/07/537888807.db2.gz PYIZYYRCAYQZTN-JTQLQIEISA-N 1 2 189.218 1.238 10 0 ADAELO c1ncc([C@@H]2[NH2+]CCc3ccoc32)[nH]1 724777009 537890041 /nfs/dbraw/zinc/89/00/41/537890041.db2.gz INBTUYVMDFAOTR-VIFPVBQESA-N 1 2 189.218 1.238 10 0 ADAELO CC(C)n1c[nH+]cc1-c1cnn(C)c1 725245367 537897392 /nfs/dbraw/zinc/89/73/92/537897392.db2.gz GCCJQFWKHZBJJB-UHFFFAOYSA-N 1 2 190.250 1.865 10 0 ADAELO Nc1cn(COC2CCCC2)c[nH+]1 725248574 537898552 /nfs/dbraw/zinc/89/85/52/537898552.db2.gz XPXNIQONXAGYHH-UHFFFAOYSA-N 1 2 181.239 1.382 10 0 ADAELO Nc1cn(CCOC(F)(F)F)c[nH+]1 725248667 537898576 /nfs/dbraw/zinc/89/85/76/537898576.db2.gz BMGUDQSKXUFITF-UHFFFAOYSA-N 1 2 195.144 1.002 10 0 ADAELO Nc1cn(COC2CCCCC2)c[nH+]1 725247345 537899006 /nfs/dbraw/zinc/89/90/06/537899006.db2.gz 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537902228 /nfs/dbraw/zinc/90/22/28/537902228.db2.gz ZANKLLHKZVMEDJ-YUMQZZPRSA-N 1 2 181.239 1.205 10 0 ADAELO C[C@H]1CC[C@@H](Cn2c[nH+]c(N)c2)O1 725248764 537902959 /nfs/dbraw/zinc/90/29/59/537902959.db2.gz HCRJVCQRDQDPKG-YUMQZZPRSA-N 1 2 181.239 1.033 10 0 ADAELO Nc1cn(Cc2ccc(O)cc2)c[nH+]1 725248860 537902988 /nfs/dbraw/zinc/90/29/88/537902988.db2.gz IREDCPGWXLAACX-UHFFFAOYSA-N 1 2 189.218 1.219 10 0 ADAELO CC(C)(C)SCCn1c[nH+]c(N)c1 725249075 537903048 /nfs/dbraw/zinc/90/30/48/537903048.db2.gz FTNLGRZZNFJVRI-UHFFFAOYSA-N 1 2 199.323 1.997 10 0 ADAELO Nc1cn(C[C@@H]2CCCCO2)c[nH+]1 725248776 537903012 /nfs/dbraw/zinc/90/30/12/537903012.db2.gz LJQRCZQXKMEEQM-QMMMGPOBSA-N 1 2 181.239 1.034 10 0 ADAELO C[C@@H]1CC[C@H](Cn2c[nH+]c(N)c2)O1 725248761 537903111 /nfs/dbraw/zinc/90/31/11/537903111.db2.gz HCRJVCQRDQDPKG-HTQZYQBOSA-N 1 2 181.239 1.033 10 0 ADAELO C[C@@H]1CC[C@@H](Cn2c[nH+]c(N)c2)O1 725248763 537903162 /nfs/dbraw/zinc/90/31/62/537903162.db2.gz HCRJVCQRDQDPKG-SFYZADRCSA-N 1 2 181.239 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CC[C@H]1C[C@]1(O)c1c[nH+]cn1C 234049251 572104960 /nfs/dbraw/zinc/10/49/60/572104960.db2.gz MWSOVLSEPIMACP-IONNQARKSA-N 1 2 166.224 1.038 10 0 ADAELO CC(C)C[C@@H](C)C[C@H]([NH3+])c1cnn[nH]1 300880276 572005921 /nfs/dbraw/zinc/00/59/21/572005921.db2.gz IUSVINGMTIWUMD-BDAKNGLRSA-N 1 2 196.298 1.877 10 0 ADAELO CC(C)C[C@@H](C)C[C@@H]([NH3+])c1cnn[nH]1 300880282 572005930 /nfs/dbraw/zinc/00/59/30/572005930.db2.gz IUSVINGMTIWUMD-RKDXNWHRSA-N 1 2 196.298 1.877 10 0 ADAELO c1n[nH]c([C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)n1 42040970 572006043 /nfs/dbraw/zinc/00/60/43/572006043.db2.gz WWPPEPHUZPMQCS-CIUDSAMLSA-N 1 2 192.266 1.398 10 0 ADAELO CC(C)CC(=O)Cc1[nH]cc[nH+]1 34977323 572007677 /nfs/dbraw/zinc/00/76/77/572007677.db2.gz FZJLOOBVYPBCPW-UHFFFAOYSA-N 1 2 166.224 1.567 10 0 ADAELO CCCCCC[C@@H]([NH2+]C)C(=O)OC 37458502 572128884 /nfs/dbraw/zinc/12/88/84/572128884.db2.gz LBSSCFWBDXKJEQ-SECBINFHSA-N 1 2 187.283 1.718 10 0 ADAELO C[C@H](C1CC1)[C@H]([NH2+]N)[C@H]1CCCOC1 300232972 572016120 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572233225 /nfs/dbraw/zinc/23/32/25/572233225.db2.gz OMTLNUJYBVUTSV-MWLCHTKSSA-N 1 2 197.278 1.076 10 0 ADAELO C[NH2+][C@H](c1ccncc1)C(F)F 687714144 572237015 /nfs/dbraw/zinc/23/70/15/572237015.db2.gz IUZCIVGNBSYHNL-SSDOTTSWSA-N 1 2 172.178 1.607 10 0 ADAELO Cc1cccnc1[C@@H]([NH3+])C(F)F 687714235 572237036 /nfs/dbraw/zinc/23/70/36/572237036.db2.gz NEBUTMZGBRAGMF-ZCFIWIBFSA-N 1 2 172.178 1.655 10 0 ADAELO C[C@H]([NH2+]Cc1ccco1)c1cc[nH]n1 37906289 572237093 /nfs/dbraw/zinc/23/70/93/572237093.db2.gz KTOZLHVVJXLLPD-QMMMGPOBSA-N 1 2 191.234 1.854 10 0 ADAELO OCC1=CCC[C@H](Cc2c[nH+]c[nH]2)C1 141051921 572378947 /nfs/dbraw/zinc/37/89/47/572378947.db2.gz ITMJWMOXNQMKLC-VIFPVBQESA-N 1 2 192.262 1.671 10 0 ADAELO C[C@@H]([NH2+]Cc1cnc[nH]1)c1ccoc1 87290440 572417103 /nfs/dbraw/zinc/41/71/03/572417103.db2.gz GFDSKKCUQUUNGU-MRVPVSSYSA-N 1 2 191.234 1.854 10 0 ADAELO CCN(CC)[NH2+]C[C@@H](C)C(C)=O 238253714 572460960 /nfs/dbraw/zinc/46/09/60/572460960.db2.gz SECDDCFUSFLLEX-MRVPVSSYSA-N 1 2 172.272 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CC[C@H](C)C[C@@]1(CC)[NH2+]CC(=O)N1C 308520179 573227956 /nfs/dbraw/zinc/22/79/56/573227956.db2.gz OLZWKLVQNKREMO-ONGXEEELSA-N 1 2 198.310 1.591 10 0 ADAELO OCC[N@H+](CC(F)F)C1CCCC1 50106747 573229795 /nfs/dbraw/zinc/22/97/95/573229795.db2.gz DINQDYLGPVELFB-UHFFFAOYSA-N 1 2 193.237 1.488 10 0 ADAELO OCC[N@@H+](CC(F)F)C1CCCC1 50106747 573229802 /nfs/dbraw/zinc/22/98/02/573229802.db2.gz DINQDYLGPVELFB-UHFFFAOYSA-N 1 2 193.237 1.488 10 0 ADAELO CNc1c(C)cc([NH3+])cc1N 238322673 573234345 /nfs/dbraw/zinc/23/43/45/573234345.db2.gz UPTDCCYDLKVVQW-UHFFFAOYSA-N 1 2 151.213 1.201 10 0 ADAELO C[NH2+]c1c(C)cc(N)cc1N 238322673 573234347 /nfs/dbraw/zinc/23/43/47/573234347.db2.gz UPTDCCYDLKVVQW-UHFFFAOYSA-N 1 2 151.213 1.201 10 0 ADAELO CCc1cnc(C[NH+](C)C)nc1Cl 238323092 573234427 /nfs/dbraw/zinc/23/44/27/573234427.db2.gz UHZCKRVMTFGDOB-UHFFFAOYSA-N 1 2 199.685 1.754 10 0 ADAELO CSc1c[nH+]c(C)nc1N 258602251 573234520 /nfs/dbraw/zinc/23/45/20/573234520.db2.gz VAIANOTVLWZSSS-UHFFFAOYSA-N 1 2 155.226 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CJFYRXGBBRYHTB-UHFFFAOYSA-N 1 2 196.279 1.307 10 0 ADAELO C/C=C/C(=O)OCc1cc[nH+]c(N)c1 308527021 573238915 /nfs/dbraw/zinc/23/89/15/573238915.db2.gz QUGGIZPXKHRERE-NSCUHMNNSA-N 1 2 192.218 1.283 10 0 ADAELO NC(=O)c1ccccc1-c1c[nH]c[nH+]1 116013476 573239034 /nfs/dbraw/zinc/23/90/34/573239034.db2.gz QZAZOHDFQWIITJ-UHFFFAOYSA-N 1 2 187.202 1.176 10 0 ADAELO CC(C)[C@H](C)C[NH2+][C@H](C)c1ncn[nH]1 308526889 573239045 /nfs/dbraw/zinc/23/90/45/573239045.db2.gz XQDFEGDVUDOTJW-RKDXNWHRSA-N 1 2 196.298 1.747 10 0 ADAELO CC(=O)C[N@H+](Cc1ccco1)C1CC1 50154901 573241449 /nfs/dbraw/zinc/24/14/49/573241449.db2.gz XAZQQRSMELYECG-UHFFFAOYSA-N 1 2 193.246 1.833 10 0 ADAELO CC(=O)C[N@@H+](Cc1ccco1)C1CC1 50154901 573241454 /nfs/dbraw/zinc/24/14/54/573241454.db2.gz XAZQQRSMELYECG-UHFFFAOYSA-N 1 2 193.246 1.833 10 0 ADAELO CCC[C@H](O)CCc1cn(CC)c[nH+]1 308522114 573242209 /nfs/dbraw/zinc/24/22/09/573242209.db2.gz IDYDIRVAPADFDO-NSHDSACASA-N 1 2 196.294 1.997 10 0 ADAELO C[NH2+][C@H](C=C(C)C)c1nnc[nH]1 86057612 573243176 /nfs/dbraw/zinc/24/31/76/573243176.db2.gz SBXCLOJDCQPKPV-SSDOTTSWSA-N 1 2 166.228 1.031 10 0 ADAELO CC(=O)[C@@H](C)[N@H+](C)Cc1ccoc1C 50154158 573242761 /nfs/dbraw/zinc/24/27/61/573242761.db2.gz WFKFZWGESGYSOA-MRVPVSSYSA-N 1 2 195.262 1.997 10 0 ADAELO Cc1ccc(-c2c[nH]c(NN)[nH+]2)cc1 259046420 573242762 /nfs/dbraw/zinc/24/27/62/573242762.db2.gz IEKOJEPJFCMGSU-UHFFFAOYSA-N 1 2 188.234 1.671 10 0 ADAELO CC(=O)[C@@H](C)[N@@H+](C)Cc1ccoc1C 50154158 573242768 /nfs/dbraw/zinc/24/27/68/573242768.db2.gz WFKFZWGESGYSOA-MRVPVSSYSA-N 1 2 195.262 1.997 10 0 ADAELO Cc1cc(N)[nH+]cc1-c1ncccn1 715725795 573243123 /nfs/dbraw/zinc/24/31/23/573243123.db2.gz QKEZVOZHMFCBDH-UHFFFAOYSA-N 1 2 186.218 1.429 10 0 ADAELO C[NH2+][C@@H](C=C(C)C)c1nnc[nH]1 86057611 573243387 /nfs/dbraw/zinc/24/33/87/573243387.db2.gz SBXCLOJDCQPKPV-ZETCQYMHSA-N 1 2 166.228 1.031 10 0 ADAELO C[C@@H](Cc1ccsc1)[NH2+]N(C)C 690028477 573243604 /nfs/dbraw/zinc/24/36/04/573243604.db2.gz HKPFDQPRWYHWQN-QMMMGPOBSA-N 1 2 184.308 1.745 10 0 ADAELO CCC[C@@H](O)CCc1cn(CC)c[nH+]1 308522113 573243811 /nfs/dbraw/zinc/24/38/11/573243811.db2.gz IDYDIRVAPADFDO-LLVKDONJSA-N 1 2 196.294 1.997 10 0 ADAELO CCCC1(C[NH2+][C@H]2CCOC2=O)CC1 308523082 573246045 /nfs/dbraw/zinc/24/60/45/573246045.db2.gz PUGKHCZDHKVNKN-VIFPVBQESA-N 1 2 197.278 1.472 10 0 ADAELO Nc1ccc(Cn2cc[nH+]c2)c(F)c1 82864821 573245792 /nfs/dbraw/zinc/24/57/92/573245792.db2.gz VQEBPGMFEURQHE-UHFFFAOYSA-N 1 2 191.209 1.653 10 0 ADAELO c1nc(C[NH2+]Cc2cncs2)co1 308321891 573246682 /nfs/dbraw/zinc/24/66/82/573246682.db2.gz BSZLIMNCXBBDGO-UHFFFAOYSA-N 1 2 195.247 1.421 10 0 ADAELO CCNc1[nH+]c(C)ccc1C(=O)NC 226301575 573246770 /nfs/dbraw/zinc/24/67/70/573246770.db2.gz OXSYDEXCAAUTIZ-UHFFFAOYSA-N 1 2 193.250 1.181 10 0 ADAELO CC(=O)[C@H](C)[N@H+](C)Cc1ccoc1C 50154157 573246805 /nfs/dbraw/zinc/24/68/05/573246805.db2.gz WFKFZWGESGYSOA-QMMMGPOBSA-N 1 2 195.262 1.997 10 0 ADAELO CC(=O)[C@H](C)[N@@H+](C)Cc1ccoc1C 50154157 573246809 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CCC[C@@]([NH3+])(C(=O)OC)[C@@H](C)F 257830273 573559506 /nfs/dbraw/zinc/55/95/06/573559506.db2.gz JEVBOXLEGSPVBT-SVRRBLITSA-N 1 2 177.219 1.015 10 0 ADAELO C[C@H](O)c1[nH+]cc2cccc(F)n12 257830585 573559644 /nfs/dbraw/zinc/55/96/44/573559644.db2.gz JHRYLDHTMZLPDG-LURJTMIESA-N 1 2 180.182 1.527 10 0 ADAELO Cc1cc2c(cc1F)SC(=O)[C@@H]2[NH3+] 257563974 572795270 /nfs/dbraw/zinc/79/52/70/572795270.db2.gz CNCRNLSIGQQHGR-MRVPVSSYSA-N 1 2 197.234 1.766 10 0 ADAELO Cn1c(N)c[nH+]c1-c1ccco1 257564376 572795398 /nfs/dbraw/zinc/79/53/98/572795398.db2.gz INLGBKZWCMEGKJ-UHFFFAOYSA-N 1 2 163.180 1.262 10 0 ADAELO CNC([NH2+]C)c1cc(F)ccc1F 259509196 573561296 /nfs/dbraw/zinc/56/12/96/573561296.db2.gz SOFJVUSKIUKYDS-UHFFFAOYSA-N 1 2 186.205 1.402 10 0 ADAELO Cn1ccc([C@H]([NH3+])c2ccco2)n1 83573219 573561346 /nfs/dbraw/zinc/56/13/46/573561346.db2.gz HOOLCKRPDXNIHT-VIFPVBQESA-N 1 2 177.207 1.061 10 0 ADAELO Cc1ccc([C@@H]2CN([NH3+])CCO2)cc1 71506180 572839790 /nfs/dbraw/zinc/83/97/90/572839790.db2.gz 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c1c[nH+]c2c(c1)-c1ncncc1CCN2 238044714 572917162 /nfs/dbraw/zinc/91/71/62/572917162.db2.gz SAFVICRKLDPVIP-UHFFFAOYSA-N 1 2 198.229 1.507 10 0 ADAELO Cc1c[nH]c(C2CCC(=O)CC2)[nH+]1 259113214 573573214 /nfs/dbraw/zinc/57/32/14/573573214.db2.gz PEKWJESXKQOPBH-UHFFFAOYSA-N 1 2 178.235 1.945 10 0 ADAELO CCCC(=O)CCC[NH+]1CCOCC1 86352649 572926116 /nfs/dbraw/zinc/92/61/16/572926116.db2.gz SYEMFYNFSMSJGM-UHFFFAOYSA-N 1 2 199.294 1.468 10 0 ADAELO CCNc1ccc(COC)c[nH+]1 50830458 572933373 /nfs/dbraw/zinc/93/33/73/572933373.db2.gz XMOAUSFGKJVUIA-UHFFFAOYSA-N 1 2 166.224 1.660 10 0 ADAELO C[C@H]1Cc2c(ccc([NH3+])c2O)N1 713784044 572940209 /nfs/dbraw/zinc/94/02/09/572940209.db2.gz MSPYVHXCCUZRTR-YFKPBYRVSA-N 1 2 164.208 1.331 10 0 ADAELO C[C@H]1Cc2c(ccc(N)c2O)[NH2+]1 713784044 572940210 /nfs/dbraw/zinc/94/02/10/572940210.db2.gz MSPYVHXCCUZRTR-YFKPBYRVSA-N 1 2 164.208 1.331 10 0 ADAELO COc1c([NH3+])ccc2c1C[C@@H](C)N2 713784035 572941550 /nfs/dbraw/zinc/94/15/50/572941550.db2.gz MRRBHMWFTGOXIU-ZCFIWIBFSA-N 1 2 178.235 1.634 10 0 ADAELO COc1c(N)ccc2c1C[C@@H](C)[NH2+]2 713784035 572941552 /nfs/dbraw/zinc/94/15/52/572941552.db2.gz MRRBHMWFTGOXIU-ZCFIWIBFSA-N 1 2 178.235 1.634 10 0 ADAELO C[C@]1(C(=O)c2ccccc2)[NH2+]CCO1 238445005 573576831 /nfs/dbraw/zinc/57/68/31/573576831.db2.gz CDZVTMXEGBCTKP-NSHDSACASA-N 1 2 191.230 1.205 10 0 ADAELO CC[C@@H]1COC(=O)C2(CCCC2)[NH2+]1 58425319 572949766 /nfs/dbraw/zinc/94/97/66/572949766.db2.gz ZLIMWIVZLUAKOM-MRVPVSSYSA-N 1 2 183.251 1.224 10 0 ADAELO CCOC[C@H](O)c1c[nH+]cn1C1CC1 86521275 572952811 /nfs/dbraw/zinc/95/28/11/572952811.db2.gz CSPDBJKXGCCDET-JTQLQIEISA-N 1 2 196.250 1.288 10 0 ADAELO Cn1cc2ccc(-c3[nH]cc[nH+]3)cc2n1 76188873 572960759 /nfs/dbraw/zinc/96/07/59/572960759.db2.gz CDKOGYYXCUINGS-UHFFFAOYSA-N 1 2 198.229 1.963 10 0 ADAELO Cn1cc2c(-c3[nH]cc[nH+]3)cccc2n1 76188877 572960955 /nfs/dbraw/zinc/96/09/55/572960955.db2.gz IFWTXFQHZWZFAP-UHFFFAOYSA-N 1 2 198.229 1.963 10 0 ADAELO OCc1c[nH+]ccc1OCC1CC1 88110470 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190.337 1.451 10 0 ADAELO C[NH2+][C@@H]1C[C@H](c2ccccc2)OC1=O 113689977 573024913 /nfs/dbraw/zinc/02/49/13/573024913.db2.gz ZQJFYADSTIKJRP-NXEZZACHSA-N 1 2 191.230 1.263 10 0 ADAELO CC[C@@H]([NH2+]N)C1CCCCC1 113654865 573020183 /nfs/dbraw/zinc/02/01/83/573020183.db2.gz IPMYFEAYAQVHQS-SECBINFHSA-N 1 2 156.273 1.809 10 0 ADAELO CN[C@@H](c1c[nH]c[nH+]1)C(F)(F)F 104574461 573025017 /nfs/dbraw/zinc/02/50/17/573025017.db2.gz NZWAIEUMWUDOIF-YFKPBYRVSA-N 1 2 179.145 1.233 10 0 ADAELO CN[C@@H](c1c[nH+]c[nH]1)C(F)(F)F 104574461 573025021 /nfs/dbraw/zinc/02/50/21/573025021.db2.gz NZWAIEUMWUDOIF-YFKPBYRVSA-N 1 2 179.145 1.233 10 0 ADAELO CC1(C)[NH2+]C(C)(C)C(=N)S1 238257270 573027240 /nfs/dbraw/zinc/02/72/40/573027240.db2.gz WTTBOFKMTRSNMM-UHFFFAOYSA-N 1 2 158.270 1.815 10 0 ADAELO CCC[C@@H](C)C[NH2+]N1CCOCC1 214499259 573027415 /nfs/dbraw/zinc/02/74/15/573027415.db2.gz FTDUHZRUDQAVOE-SNVBAGLBSA-N 1 2 186.299 1.259 10 0 ADAELO Cc1cc[nH+]cc1C[C@H](C)CO 85443015 573029916 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KNTOAGCRHHVVSG-UHFFFAOYSA-N 1 2 176.223 1.113 10 0 ADAELO CCCN1C(=O)C[NH2+]C1(CC)CC 308244426 573062998 /nfs/dbraw/zinc/06/29/98/573062998.db2.gz UOGHYWKUXVYDOR-UHFFFAOYSA-N 1 2 184.283 1.345 10 0 ADAELO C=Cc1cc(C)[nH+]cc1N 209752000 573065467 /nfs/dbraw/zinc/06/54/67/573065467.db2.gz DGVSFHOJWCSLMQ-UHFFFAOYSA-N 1 2 134.182 1.615 10 0 ADAELO C[C@H]1CC[C@H](C(=O)Cc2[nH]cc[nH+]2)O1 88140695 573081267 /nfs/dbraw/zinc/08/12/67/573081267.db2.gz IHWGWZQPQQWGNH-IONNQARKSA-N 1 2 194.234 1.089 10 0 ADAELO Nc1cccc(CCc2c[nH]c[nH+]2)c1 143921485 573072114 /nfs/dbraw/zinc/07/21/14/573072114.db2.gz ZYLZZHYDFIWKGO-UHFFFAOYSA-N 1 2 187.246 1.777 10 0 ADAELO Nc1cccc(CCc2c[nH+]c[nH]2)c1 143921485 573072119 /nfs/dbraw/zinc/07/21/19/573072119.db2.gz ZYLZZHYDFIWKGO-UHFFFAOYSA-N 1 2 187.246 1.777 10 0 ADAELO CCC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[C@H](C1)O2 85540737 573072247 /nfs/dbraw/zinc/07/22/47/573072247.db2.gz IYJHURHKFMVZRZ-BBBLOLIVSA-N 1 2 197.278 1.217 10 0 ADAELO CCC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[C@H](C1)O2 85540737 573072252 /nfs/dbraw/zinc/07/22/52/573072252.db2.gz IYJHURHKFMVZRZ-BBBLOLIVSA-N 1 2 197.278 1.217 10 0 ADAELO CCN(C)c1ccc([NH3+])c(OC)c1 82523463 573088117 /nfs/dbraw/zinc/08/81/17/573088117.db2.gz LMCFUAYVICCWND-UHFFFAOYSA-N 1 2 180.251 1.734 10 0 ADAELO CC(C)OCc1c[nH]c[nH+]1 104625178 573088139 /nfs/dbraw/zinc/08/81/39/573088139.db2.gz NUTYRXGVKUHOOA-UHFFFAOYSA-N 1 2 140.186 1.335 10 0 ADAELO CC(C)OCc1c[nH+]c[nH]1 104625178 573088143 /nfs/dbraw/zinc/08/81/43/573088143.db2.gz NUTYRXGVKUHOOA-UHFFFAOYSA-N 1 2 140.186 1.335 10 0 ADAELO Cc1c(N)cccc1-c1[nH+]ccn1C 82530022 573091054 /nfs/dbraw/zinc/09/10/54/573091054.db2.gz GYSJUYIXWZZCRV-UHFFFAOYSA-N 1 2 187.246 1.978 10 0 ADAELO CCOCc1[nH]c2c(N)cccc2[nH+]1 82539319 573091377 /nfs/dbraw/zinc/09/13/77/573091377.db2.gz WVKBASMSNBNMNP-UHFFFAOYSA-N 1 2 191.234 1.682 10 0 ADAELO O[C@H]1CCCc2[nH+]cccc2C1 114667009 573103409 /nfs/dbraw/zinc/10/34/09/573103409.db2.gz KQGQADLOMJDCRO-VIFPVBQESA-N 1 2 163.220 1.321 10 0 ADAELO CC[C@H](CO)C[N@@H+]1CCC(F)(F)C1 259524172 573597865 /nfs/dbraw/zinc/59/78/65/573597865.db2.gz PVLCREWMDFCPRL-QMMMGPOBSA-N 1 2 193.237 1.346 10 0 ADAELO CC[C@H](CO)C[N@H+]1CCC(F)(F)C1 259524172 573597869 /nfs/dbraw/zinc/59/78/69/573597869.db2.gz PVLCREWMDFCPRL-QMMMGPOBSA-N 1 2 193.237 1.346 10 0 ADAELO Nc1ccc2c(c1)[nH+]c1n2CC[C@@H]1O 114670826 573103237 /nfs/dbraw/zinc/10/32/37/573103237.db2.gz YGOYKGHPJLCJML-VIFPVBQESA-N 1 2 189.218 1.056 10 0 ADAELO CCOC(=O)N[C@H]1CC2CC[NH+]1CC2 238285248 573114929 /nfs/dbraw/zinc/11/49/29/573114929.db2.gz PARXNCLRCMZANP-SECBINFHSA-N 1 2 198.266 1.174 10 0 ADAELO Cc1noc([C@H](C)[NH2+][C@H](C)CF)n1 308280276 573135227 /nfs/dbraw/zinc/13/52/27/573135227.db2.gz WTLSPWYDALEBPR-RITPCOANSA-N 1 2 187.218 1.387 10 0 ADAELO CCc1[nH]c([C@@H](O)C(F)(F)F)c[nH+]1 238280917 573122401 /nfs/dbraw/zinc/12/24/01/573122401.db2.gz KEXIRELMJXKLAV-ZCFIWIBFSA-N 1 2 194.156 1.568 10 0 ADAELO CCc1[nH]cc([C@@H](O)C(F)(F)F)[nH+]1 238280917 573122409 /nfs/dbraw/zinc/12/24/09/573122409.db2.gz KEXIRELMJXKLAV-ZCFIWIBFSA-N 1 2 194.156 1.568 10 0 ADAELO CCc1[nH+]ccn1-c1ccnc(C)n1 82615634 573128525 /nfs/dbraw/zinc/12/85/25/573128525.db2.gz SOTIFAAEGQOMRC-UHFFFAOYSA-N 1 2 188.234 1.533 10 0 ADAELO NC1=[NH+]O[C@H](c2ccccc2O)C1 257951836 573134904 /nfs/dbraw/zinc/13/49/04/573134904.db2.gz WHOICMLUOIXGOU-QMMMGPOBSA-N 1 2 178.191 1.126 10 0 ADAELO CCOC(=O)[C@]1(C)CC(C)(C)CC[NH2+]1 257952119 573135155 /nfs/dbraw/zinc/13/51/55/573135155.db2.gz FUAHZZFSTUQJIJ-NSHDSACASA-N 1 2 199.294 1.718 10 0 ADAELO CC(=O)[C@H]([NH3+])c1ccc(C)o1 104661709 573137555 /nfs/dbraw/zinc/13/75/55/573137555.db2.gz QDDTVAKSXUKZDI-QMMMGPOBSA-N 1 2 153.181 1.177 10 0 ADAELO C[N@@H+]1CCCC[C@@H]1C(F)(F)CO 141960393 573137822 /nfs/dbraw/zinc/13/78/22/573137822.db2.gz JQAHAJQDDKARAA-SSDOTTSWSA-N 1 2 179.210 1.098 10 0 ADAELO C[N@H+]1CCCC[C@@H]1C(F)(F)CO 141960393 573137828 /nfs/dbraw/zinc/13/78/28/573137828.db2.gz JQAHAJQDDKARAA-SSDOTTSWSA-N 1 2 179.210 1.098 10 0 ADAELO FC1(F)C[NH2+]CC[C@@H]1c1ccncc1 258540783 573147036 /nfs/dbraw/zinc/14/70/36/573147036.db2.gz IDJPIOKBTDBCDK-SECBINFHSA-N 1 2 198.216 1.794 10 0 ADAELO [NH3+][C@H]1CCc2cc(S)ccc21 104667114 573148673 /nfs/dbraw/zinc/14/86/73/573148673.db2.gz AWTOLIAGWKNAII-VIFPVBQESA-N 1 2 165.261 1.921 10 0 ADAELO C[N@@H+]1CCO[C@@H](C(=O)C2CCCC2)C1 85792803 573150834 /nfs/dbraw/zinc/15/08/34/573150834.db2.gz ZMJBKXQDVXNXPQ-SNVBAGLBSA-N 1 2 197.278 1.076 10 0 ADAELO C[N@H+]1CCO[C@@H](C(=O)C2CCCC2)C1 85792803 573150838 /nfs/dbraw/zinc/15/08/38/573150838.db2.gz ZMJBKXQDVXNXPQ-SNVBAGLBSA-N 1 2 197.278 1.076 10 0 ADAELO C[NH2+][C@@H](c1c[nH]nn1)[C@@H](C)CC(C)C 308503864 573150890 /nfs/dbraw/zinc/15/08/90/573150890.db2.gz XWXAHUSPXOZNMG-WCBMZHEXSA-N 1 2 196.298 1.747 10 0 ADAELO C[NH2+][C@@H](c1cn[nH]n1)[C@@H](C)CC(C)C 308503864 573150893 /nfs/dbraw/zinc/15/08/93/573150893.db2.gz XWXAHUSPXOZNMG-WCBMZHEXSA-N 1 2 196.298 1.747 10 0 ADAELO CC[N@@H+]1CCC[C@@H]1c1nc(C=O)co1 257961438 573183343 /nfs/dbraw/zinc/18/33/43/573183343.db2.gz GLLIQERGSUWYHV-SECBINFHSA-N 1 2 194.234 1.644 10 0 ADAELO CC[N@H+]1CCC[C@@H]1c1nc(C=O)co1 257961438 573183347 /nfs/dbraw/zinc/18/33/47/573183347.db2.gz GLLIQERGSUWYHV-SECBINFHSA-N 1 2 194.234 1.644 10 0 ADAELO CC(C)c1cc(N)nc(C[NH+](C)C)n1 85801011 573158622 /nfs/dbraw/zinc/15/86/22/573158622.db2.gz DHYJTFARDWHVEC-UHFFFAOYSA-N 1 2 194.282 1.244 10 0 ADAELO CC(=O)[C@@H]([NH3+])c1cc(Cl)ccn1 104670972 573161547 /nfs/dbraw/zinc/16/15/47/573161547.db2.gz LKUQWASWYPYENV-MRVPVSSYSA-N 1 2 184.626 1.324 10 0 ADAELO [NH3+][C@@H]1CCc2ccc(S)cc2C1 104670356 573161579 /nfs/dbraw/zinc/16/15/79/573161579.db2.gz BTRZGMHKFBUJBK-SECBINFHSA-N 1 2 179.288 1.791 10 0 ADAELO C[C@@H](O)[C@H]([NH3+])c1ccccc1S 104672752 573164268 /nfs/dbraw/zinc/16/42/68/573164268.db2.gz JOZXQJUTGMOFLA-MUWHJKNJSA-N 1 2 183.276 1.356 10 0 ADAELO CCN(C)C(=O)Nc1cc[nH+]cc1N 85964790 573212511 /nfs/dbraw/zinc/21/25/11/573212511.db2.gz APDMNTOKSHUIJS-UHFFFAOYSA-N 1 2 194.238 1.147 10 0 ADAELO C/C=C\C[NH2+][C@H](C)C(=O)OCC 219380980 573211787 /nfs/dbraw/zinc/21/17/87/573211787.db2.gz IKLJIBLJNRIGCY-RZAAKKIOSA-N 1 2 171.240 1.104 10 0 ADAELO C[C@H](O)C[C@H](C)n1cc[nH+]c1 82815299 573211982 /nfs/dbraw/zinc/21/19/82/573211982.db2.gz KEEVZAPORRRNOV-YUMQZZPRSA-N 1 2 154.213 1.215 10 0 ADAELO CC(C)O[NH2+]C[C@@]1(C)C[C@@H]1C 714650240 573212408 /nfs/dbraw/zinc/21/24/08/573212408.db2.gz BAKMECMOHKHINW-DTWKUNHWSA-N 1 2 157.257 1.962 10 0 ADAELO CCSc1nc(NC)cc(C)[nH+]1 238307468 573214958 /nfs/dbraw/zinc/21/49/58/573214958.db2.gz WHDYEFNDKCARSZ-UHFFFAOYSA-N 1 2 183.280 1.939 10 0 ADAELO Nc1cn[nH+]c(-c2cccc(F)c2)c1 257973270 573214969 /nfs/dbraw/zinc/21/49/69/573214969.db2.gz OCYJFLMLXLVQNT-UHFFFAOYSA-N 1 2 189.193 1.865 10 0 ADAELO COC(=O)[C@@H]([NH2+]C1CC1)[C@H](C)C(C)C 308517523 573215273 /nfs/dbraw/zinc/21/52/73/573215273.db2.gz OOTWDGQCYMWFBZ-SCZZXKLOSA-N 1 2 199.294 1.572 10 0 ADAELO CC1CC(N2C(=O)C3(CC3)[NH2+][C@H]2C)C1 123863429 573217502 /nfs/dbraw/zinc/21/75/02/573217502.db2.gz 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104736472 573228703 /nfs/dbraw/zinc/22/87/03/573228703.db2.gz HSWPCJAQNTXUAC-RXMQYKEDSA-N 1 2 149.284 1.360 10 0 ADAELO Cc1[nH]c(CC(C)C)c[nH+]1 104736496 573228839 /nfs/dbraw/zinc/22/88/39/573228839.db2.gz RCGMLWDMQYVICI-UHFFFAOYSA-N 1 2 138.214 1.917 10 0 ADAELO CCc1cc(N)nc(C[C@@H](C)OC)[nH+]1 129102124 573228963 /nfs/dbraw/zinc/22/89/63/573228963.db2.gz YPCXPFDLYDXGOV-SSDOTTSWSA-N 1 2 195.266 1.199 10 0 ADAELO C[C@H](O)C[C@H](C)[NH+]1C[C@@H](F)[C@H](F)C1 714658139 573228973 /nfs/dbraw/zinc/22/89/73/573228973.db2.gz YMXRVMVSOHFSLN-RBXMUDONSA-N 1 2 193.237 1.138 10 0 ADAELO COC(=O)C1=C(C)C=C/C1=C(/C)[NH3+] 238321015 573229005 /nfs/dbraw/zinc/22/90/05/573229005.db2.gz LERVQMAESHYQLI-BQYQJAHWSA-N 1 2 179.219 1.278 10 0 ADAELO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1ncn[nH]1 308526886 573236962 /nfs/dbraw/zinc/23/69/62/573236962.db2.gz XQDFEGDVUDOTJW-IUCAKERBSA-N 1 2 196.298 1.747 10 0 ADAELO CC(C)[C@@H](C)C[NH2+][C@H](C)c1ncn[nH]1 308526883 573236618 /nfs/dbraw/zinc/23/66/18/573236618.db2.gz 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CC[C@](C)(O)C[N@@H+]1C[C@H](F)[C@H](F)C1 714665253 573262562 /nfs/dbraw/zinc/26/25/62/573262562.db2.gz AECRIRSGZBHFLI-YIZRAAEISA-N 1 2 193.237 1.139 10 0 ADAELO CC[C@](C)(O)C[N@H+]1C[C@H](F)[C@H](F)C1 714665253 573262567 /nfs/dbraw/zinc/26/25/67/573262567.db2.gz AECRIRSGZBHFLI-YIZRAAEISA-N 1 2 193.237 1.139 10 0 ADAELO CCCC(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1C 50184142 573262922 /nfs/dbraw/zinc/26/29/22/573262922.db2.gz GNOXLCUZVHFPKS-UWVGGRQHSA-N 1 2 199.294 1.465 10 0 ADAELO CCCC(=O)C[N@H+]1C[C@H](C)OC[C@@H]1C 50184142 573262925 /nfs/dbraw/zinc/26/29/25/573262925.db2.gz GNOXLCUZVHFPKS-UWVGGRQHSA-N 1 2 199.294 1.465 10 0 ADAELO Cc1cc(/C=C(\[NH3+])C(=O)[O-])cc(C)[nH+]1 308530865 573262977 /nfs/dbraw/zinc/26/29/77/573262977.db2.gz CJLSBKMFDHSUDK-UITAMQMPSA-N 1 2 192.218 1.083 10 0 ADAELO CCCC(=O)C[N@@H+]1CCOCC1(C)C 50184189 573262985 /nfs/dbraw/zinc/26/29/85/573262985.db2.gz GUEVNVVZTSTJKG-UHFFFAOYSA-N 1 2 199.294 1.466 10 0 ADAELO CCCC(=O)C[N@H+]1CCOCC1(C)C 50184189 573262988 /nfs/dbraw/zinc/26/29/88/573262988.db2.gz GUEVNVVZTSTJKG-UHFFFAOYSA-N 1 2 199.294 1.466 10 0 ADAELO CCCC(=O)C[N@@H+]1CCOC[C@@H]1CC 50184160 573263016 /nfs/dbraw/zinc/26/30/16/573263016.db2.gz CKYHMIRXANHXMJ-JTQLQIEISA-N 1 2 199.294 1.466 10 0 ADAELO CCCC(=O)C[N@H+]1CCOC[C@@H]1CC 50184160 573263021 /nfs/dbraw/zinc/26/30/21/573263021.db2.gz CKYHMIRXANHXMJ-JTQLQIEISA-N 1 2 199.294 1.466 10 0 ADAELO O=C1Nc2ccc[nH+]c2N[C@H]1C1CC1 86160183 573277377 /nfs/dbraw/zinc/27/73/77/573277377.db2.gz YWGNTXZCJOKLAR-QMMMGPOBSA-N 1 2 189.218 1.224 10 0 ADAELO CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH2+]1 238795451 573277401 /nfs/dbraw/zinc/27/74/01/573277401.db2.gz WREDCFODLKUZGM-BDAKNGLRSA-N 1 2 184.283 1.247 10 0 ADAELO C[NH+](C)Cc1cc(F)c(F)nc1F 238330788 573277451 /nfs/dbraw/zinc/27/74/51/573277451.db2.gz XKDZNAYYNJGXOL-UHFFFAOYSA-N 1 2 190.168 1.561 10 0 ADAELO C[C@@H]1CC(=O)Nc2ccc[nH+]c2N1 86160157 573277558 /nfs/dbraw/zinc/27/75/58/573277558.db2.gz MITHSMYMIZFMRB-ZCFIWIBFSA-N 1 2 177.207 1.224 10 0 ADAELO 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CC[C@H]1C[N@H+](CC2CC2)[C@H](C)CC[NH2+]1 82943344 573312780 /nfs/dbraw/zinc/31/27/80/573312780.db2.gz RHZAFDHNIDFJRJ-PWSUYJOCSA-N 1 2 196.338 1.859 10 0 ADAELO CNc1cn[nH+]c2ccc(O)cc12 238346646 573313039 /nfs/dbraw/zinc/31/30/39/573313039.db2.gz ZSGPPFOOQPCFLW-UHFFFAOYSA-N 1 2 175.191 1.377 10 0 ADAELO Cc1[nH]c(-c2ccccc2)[nH+]c1N 106775269 573313085 /nfs/dbraw/zinc/31/30/85/573313085.db2.gz PAKVXFJETXHVHS-UHFFFAOYSA-N 1 2 173.219 1.967 10 0 ADAELO C[N@H+]1CC(=O)[C@H]2CCCC[C@@H]2C1 238352804 573322693 /nfs/dbraw/zinc/32/26/93/573322693.db2.gz FRVWVPOTTYODBB-BDAKNGLRSA-N 1 2 167.252 1.307 10 0 ADAELO CCOC[C@@H](C)[NH2+][C@@H](C)c1ncon1 308548825 573322697 /nfs/dbraw/zinc/32/26/97/573322697.db2.gz WODIWSIBPZBOIL-SFYZADRCSA-N 1 2 199.254 1.145 10 0 ADAELO C[N@@H+]1CC(=O)[C@H]2CCCC[C@@H]2C1 238352804 573322698 /nfs/dbraw/zinc/32/26/98/573322698.db2.gz FRVWVPOTTYODBB-BDAKNGLRSA-N 1 2 167.252 1.307 10 0 ADAELO CCC(=O)[C@H](C)[N@@H+]1CCO[C@H](C)C1 82953807 573322914 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CC[C@@H]1[NH2+][C@H](CC)N([C@@H]2C[C@@H]2C)C1=O 124396395 573454006 /nfs/dbraw/zinc/45/40/06/573454006.db2.gz UNCDCAYDDQLKQI-QEYWKRMJSA-N 1 2 196.294 1.341 10 0 ADAELO CCOCc1cn(CC)c(C)[nH+]1 258359388 573458361 /nfs/dbraw/zinc/45/83/61/573458361.db2.gz ZEMNHGQFCBGKLY-UHFFFAOYSA-N 1 2 168.240 1.748 10 0 ADAELO FC[C@@H]1CO[C@@H](c2ccccc2)C[NH2+]1 107265194 573458458 /nfs/dbraw/zinc/45/84/58/573458458.db2.gz FLOVFVOSEMUJGY-GHMZBOCLSA-N 1 2 195.237 1.686 10 0 ADAELO Cn1cc[nH+]c1CC(=O)C1CCC1 86486052 573458475 /nfs/dbraw/zinc/45/84/75/573458475.db2.gz WSUAJIMAIKAQPZ-UHFFFAOYSA-N 1 2 178.235 1.332 10 0 ADAELO CCCc1c(CO)[nH+]c2ccccn12 142672714 573458537 /nfs/dbraw/zinc/45/85/37/573458537.db2.gz VPLRWFVSNJIGFM-UHFFFAOYSA-N 1 2 190.246 1.779 10 0 ADAELO FC[C@H]1CO[C@@H](c2ccccc2)C[NH2+]1 107265201 573458554 /nfs/dbraw/zinc/45/85/54/573458554.db2.gz FLOVFVOSEMUJGY-WDEREUQCSA-N 1 2 195.237 1.686 10 0 ADAELO C[C@@H]1C[C@H]1C(=O)Cc1[nH+]ccn1C 86486044 573458760 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194.278 1.760 10 0 ADAELO Oc1cccn2c(C3CC3)c[nH+]c12 257823351 573522146 /nfs/dbraw/zinc/52/21/46/573522146.db2.gz GKPVOODLGBVRNQ-UHFFFAOYSA-N 1 2 174.203 1.917 10 0 ADAELO C[C@@H](O)C1=[NH+]Cc2ccccc2N1 238425589 573522291 /nfs/dbraw/zinc/52/22/91/573522291.db2.gz HVVFRALYIKIKSM-SSDOTTSWSA-N 1 2 176.219 1.201 10 0 ADAELO CC(=O)[C@@H](c1ccc(C)o1)[NH+](C)C 259485631 573522306 /nfs/dbraw/zinc/52/23/06/573522306.db2.gz YNMMORWBANRXPJ-JTQLQIEISA-N 1 2 181.235 1.780 10 0 ADAELO CC(=O)Cc1cn(C(C)C)c[nH+]1 107329663 573522704 /nfs/dbraw/zinc/52/27/04/573522704.db2.gz JNPBVIYHHJBIFD-UHFFFAOYSA-N 1 2 166.224 1.596 10 0 ADAELO CC(=O)[C@H](c1ccc(C)o1)[NH+](C)C 259485633 573523689 /nfs/dbraw/zinc/52/36/89/573523689.db2.gz YNMMORWBANRXPJ-SNVBAGLBSA-N 1 2 181.235 1.780 10 0 ADAELO COC1CCC([C@@H]([NH2+]N)C2CC2)CC1 686350059 573542745 /nfs/dbraw/zinc/54/27/45/573542745.db2.gz IUNIQGZVYYQHBI-ILDUYXDCSA-N 1 2 198.310 1.434 10 0 ADAELO [NH3+][C@H](c1cccc2c1OCC2)C(F)F 236300278 573542083 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CC[C@@H](CC(=O)OC)c1[nH+]ccn1C 259570421 573783167 /nfs/dbraw/zinc/78/31/67/573783167.db2.gz DEIMEOBKSWYXEB-QMMMGPOBSA-N 1 2 196.250 1.477 10 0 ADAELO COc1ccc2c[nH+]c([C@H](C)O)n2c1 257877280 573783308 /nfs/dbraw/zinc/78/33/08/573783308.db2.gz UVZOSNGITFMAAV-ZETCQYMHSA-N 1 2 192.218 1.396 10 0 ADAELO Nc1cn[nH+]c(Cc2ccco2)c1 257877402 573783615 /nfs/dbraw/zinc/78/36/15/573783615.db2.gz DZGUJEUNATZBSB-UHFFFAOYSA-N 1 2 175.191 1.243 10 0 ADAELO C[C@]1(c2ccccc2)NC(=S)C[NH2+]1 238502763 573783686 /nfs/dbraw/zinc/78/36/86/573783686.db2.gz NWECYAAAOGOAMS-SNVBAGLBSA-N 1 2 192.287 1.380 10 0 ADAELO CCCN1C(=O)C[NH2+][C@@]1(C)CC(C)C 308742000 573786526 /nfs/dbraw/zinc/78/65/26/573786526.db2.gz PHJAZDNRPNPRKZ-LLVKDONJSA-N 1 2 198.310 1.591 10 0 ADAELO [NH3+]Cc1nc(C2CCC2)c(F)c(=O)[nH]1 108374493 573786611 /nfs/dbraw/zinc/78/66/11/573786611.db2.gz YEGDYMRBKQUZSX-UHFFFAOYSA-N 1 2 197.213 1.048 10 0 ADAELO Oc1cnn(CC[NH+]2CCCCC2)c1 257877329 573786772 /nfs/dbraw/zinc/78/67/72/573786772.db2.gz DVTPDTVUIGYXEU-UHFFFAOYSA-N 1 2 195.266 1.075 10 0 ADAELO FC1(F)C[NH2+]CC[C@H]1c1cccnc1 258514529 573786891 /nfs/dbraw/zinc/78/68/91/573786891.db2.gz FRBWSJYZKIWVJA-VIFPVBQESA-N 1 2 198.216 1.794 10 0 ADAELO C[NH2+]CC(=O)O[C@@H]1CCC[C@H](C)C1 40953465 573792137 /nfs/dbraw/zinc/79/21/37/573792137.db2.gz KWHLSLUAZLDVID-DTWKUNHWSA-N 1 2 185.267 1.328 10 0 ADAELO [NH3+][C@@H](c1cccnc1)C(F)F 84192638 573792160 /nfs/dbraw/zinc/79/21/60/573792160.db2.gz PQHPLSZRHANSOG-LURJTMIESA-N 1 2 158.151 1.347 10 0 ADAELO CCCCCCOC(=O)C[NH2+]C 40952869 573792327 /nfs/dbraw/zinc/79/23/27/573792327.db2.gz WMQKPCUCYFPMBD-UHFFFAOYSA-N 1 2 173.256 1.329 10 0 ADAELO CCCCCOC(=O)[C@H]1CCCC[NH2+]1 40954262 573792410 /nfs/dbraw/zinc/79/24/10/573792410.db2.gz SDQOVBGBMCUAML-SNVBAGLBSA-N 1 2 199.294 1.862 10 0 ADAELO C[NH2+]CC(=O)O[C@H]1CCC[C@H](C)C1 40953461 573792420 /nfs/dbraw/zinc/79/24/20/573792420.db2.gz KWHLSLUAZLDVID-IUCAKERBSA-N 1 2 185.267 1.328 10 0 ADAELO CCC[C@H](O)CNc1cc(F)cc[nH+]1 308727886 573792736 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/nfs/dbraw/zinc/82/54/30/573825430.db2.gz KHROOFYGOUNNDD-SFYZADRCSA-N 1 2 193.237 1.487 10 0 ADAELO Cc1c(N)cc[nH+]c1C(F)(F)F 238525537 573825811 /nfs/dbraw/zinc/82/58/11/573825811.db2.gz QFOHOAKSKFYSFE-UHFFFAOYSA-N 1 2 176.141 1.991 10 0 ADAELO Cc1cnc(C[NH2+]C(C)(C)CF)n1C 308751670 573827235 /nfs/dbraw/zinc/82/72/35/573827235.db2.gz UQRKHDIXIFBUDX-UHFFFAOYSA-N 1 2 199.273 1.566 10 0 ADAELO Cc1c[nH+]c(CNC(C)(C)CF)n1C 308751670 573827241 /nfs/dbraw/zinc/82/72/41/573827241.db2.gz UQRKHDIXIFBUDX-UHFFFAOYSA-N 1 2 199.273 1.566 10 0 ADAELO Cn1c[nH+]cc1OC1CCCC1 238531386 573829705 /nfs/dbraw/zinc/82/97/05/573829705.db2.gz WYZRRCGFQCEKER-UHFFFAOYSA-N 1 2 166.224 1.742 10 0 ADAELO NC1=[NH+]O[C@H](c2ccc(F)cc2)C1 257886309 573830086 /nfs/dbraw/zinc/83/00/86/573830086.db2.gz MRSUBUZXYFTMMM-QMMMGPOBSA-N 1 2 180.182 1.559 10 0 ADAELO CCCc1c[nH]c([C@@H]2COCC[NH2+]2)n1 259208455 573834798 /nfs/dbraw/zinc/83/47/98/573834798.db2.gz YEZAAODXZLAPKU-VIFPVBQESA-N 1 2 195.266 1.023 10 0 ADAELO CC(C)[C@@H]1COC(=O)[C@@H](C(C)(C)C)[NH2+]1 238157032 573838949 /nfs/dbraw/zinc/83/89/49/573838949.db2.gz FJHQCLMQEPMFLJ-IUCAKERBSA-N 1 2 199.294 1.572 10 0 ADAELO CN(c1cccc[nH+]1)[C@H]1COC[C@H]1F 585297512 573839003 /nfs/dbraw/zinc/83/90/03/573839003.db2.gz FWTXSUSDMHORJD-BDAKNGLRSA-N 1 2 196.225 1.255 10 0 ADAELO C[N@H+](Cc1cnc[nH]1)[C@@H]1CCC[C@@H]1F 585296920 573839905 /nfs/dbraw/zinc/83/99/05/573839905.db2.gz OXHFEXOGNXLKJX-VHSXEESVSA-N 1 2 197.257 1.732 10 0 ADAELO C[N@@H+](Cc1cnc[nH]1)[C@@H]1CCC[C@@H]1F 585296920 573839912 /nfs/dbraw/zinc/83/99/12/573839912.db2.gz OXHFEXOGNXLKJX-VHSXEESVSA-N 1 2 197.257 1.732 10 0 ADAELO CCOC(=[NH2+])[C@@]1(C)CCCO1 87228992 573840446 /nfs/dbraw/zinc/84/04/46/573840446.db2.gz GHDAEAUYTKDWKJ-MRVPVSSYSA-N 1 2 157.213 1.569 10 0 ADAELO Cc1c(N)c[nH+]c2c(O)cccc12 257887307 573844408 /nfs/dbraw/zinc/84/44/08/573844408.db2.gz MVDKFKQCGRUQDY-UHFFFAOYSA-N 1 2 174.203 1.831 10 0 ADAELO C[C@H](O)CCc1cn2ccccc2[nH+]1 84350713 573844641 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CCOC(=[NH2+])[C@H](C)OC 79531510 573850941 /nfs/dbraw/zinc/85/09/41/573850941.db2.gz RMANEJTYADOPSW-YFKPBYRVSA-N 1 2 131.175 1.035 10 0 ADAELO Cc1ccn2c(N)c[nH+]c2c1F 238539738 573851124 /nfs/dbraw/zinc/85/11/24/573851124.db2.gz QGZJGPHUWCRACU-UHFFFAOYSA-N 1 2 165.171 1.364 10 0 ADAELO CCC1(O)CN(c2cccc[nH+]2)C1 84358881 573852676 /nfs/dbraw/zinc/85/26/76/573852676.db2.gz NNZLRNROQQQZDG-UHFFFAOYSA-N 1 2 178.235 1.043 10 0 ADAELO COC(=O)[C@@H](C)[NH2+][C@@H]1C[C@H]2CC=C[C@H]21 308454777 573852765 /nfs/dbraw/zinc/85/27/65/573852765.db2.gz DLYGHPWVCMPSRO-ZYUZMQFOSA-N 1 2 195.262 1.102 10 0 ADAELO CCC1(O)C[NH+](Cc2ccncc2)C1 84359356 573852777 /nfs/dbraw/zinc/85/27/77/573852777.db2.gz YUVNSPREGKHBTL-UHFFFAOYSA-N 1 2 192.262 1.038 10 0 ADAELO CC(=[NH2+])C1=NCC(C)(C)CC1=O 238165967 573853324 /nfs/dbraw/zinc/85/33/24/573853324.db2.gz PVDWDWPEWFHWJA-UHFFFAOYSA-N 1 2 166.224 1.466 10 0 ADAELO O=Cc1c2c(nn1C1CCC1)C[NH2+]C2 257888647 573854772 /nfs/dbraw/zinc/85/47/72/573854772.db2.gz 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194.278 1.982 10 0 ADAELO CC(C)CCCCN1C(=O)C[NH2+][C@@H]1C 131582407 573883800 /nfs/dbraw/zinc/88/38/00/573883800.db2.gz ICLVPBCLWAYNRF-JTQLQIEISA-N 1 2 198.310 1.591 10 0 ADAELO OCC[C@@H]1C[NH2+]c2ccc(O)cc2C1 257893893 573885227 /nfs/dbraw/zinc/88/52/27/573885227.db2.gz XRDLBSWQDKFJDD-QMMMGPOBSA-N 1 2 193.246 1.359 10 0 ADAELO Cc1cc(N)ccc1[NH2+]C1CC(O)C1 84422024 573885775 /nfs/dbraw/zinc/88/57/75/573885775.db2.gz GUCUIFTXLVCQFI-UHFFFAOYSA-N 1 2 192.262 1.512 10 0 ADAELO O[C@@H](Cc1ccccc1)c1[nH]cc[nH+]1 87340022 573889509 /nfs/dbraw/zinc/88/95/09/573889509.db2.gz LHETUUWISPHUOL-JTQLQIEISA-N 1 2 188.230 1.686 10 0 ADAELO [NH3+][C@@H](c1ncc[nH]1)c1ccco1 87340951 573889534 /nfs/dbraw/zinc/88/95/34/573889534.db2.gz QWICLDQSKHLAJA-SSDOTTSWSA-N 1 2 163.180 1.051 10 0 ADAELO O[C@H](Cc1cccs1)c1[nH]cc[nH+]1 87340368 573889619 /nfs/dbraw/zinc/88/96/19/573889619.db2.gz NFQHOWTULXZYAI-MRVPVSSYSA-N 1 2 194.259 1.747 10 0 ADAELO CCN(CC)c1c[nH+]cc(NC)c1 84446068 573893886 /nfs/dbraw/zinc/89/38/86/573893886.db2.gz NAFYITSVACRLAG-UHFFFAOYSA-N 1 2 179.267 1.970 10 0 ADAELO CCC[C@@H](O)[C@H](CC)n1cc[nH+]c1 44180563 573893269 /nfs/dbraw/zinc/89/32/69/573893269.db2.gz RARLVXIDHIYWFY-VHSXEESVSA-N 1 2 182.267 1.995 10 0 ADAELO C[C@H]1[NH2+]CN(C2CCCCC2)C1=O 84447557 573893316 /nfs/dbraw/zinc/89/33/16/573893316.db2.gz XHOQKUXWEXKHKW-MRVPVSSYSA-N 1 2 182.267 1.097 10 0 ADAELO CCC[C@H](O)[C@@H](CC)n1cc[nH+]c1 44180557 573893376 /nfs/dbraw/zinc/89/33/76/573893376.db2.gz RARLVXIDHIYWFY-ZJUUUORDSA-N 1 2 182.267 1.995 10 0 ADAELO O=C1C[NH2+]CN1C1CCCCCC1 84447551 573893513 /nfs/dbraw/zinc/89/35/13/573893513.db2.gz FEPFMBQSPVHUDH-UHFFFAOYSA-N 1 2 182.267 1.099 10 0 ADAELO Cc1cc(C)c(C[NH2+]CNN)c(C)c1 258987177 573893811 /nfs/dbraw/zinc/89/38/11/573893811.db2.gz DANIDUADKUPHAX-UHFFFAOYSA-N 1 2 193.294 1.122 10 0 ADAELO CC[C@H](C(=O)OC)c1[nH]cc(C)[nH+]1 258993364 573895003 /nfs/dbraw/zinc/89/50/03/573895003.db2.gz BGGMTFPHAJTGHY-ZETCQYMHSA-N 1 2 182.223 1.385 10 0 ADAELO C[C@H](O)c1cccc(N2C=[NH+]CC2)c1 258173730 573895057 /nfs/dbraw/zinc/89/50/57/573895057.db2.gz WBCRSRXJHAZEAA-VIFPVBQESA-N 1 2 190.246 1.588 10 0 ADAELO CC(C)=Cc1c[nH+]c(C)nc1N 238174435 573895487 /nfs/dbraw/zinc/89/54/87/573895487.db2.gz MWAYWGOXIZNXAR-UHFFFAOYSA-N 1 2 163.224 1.790 10 0 ADAELO C[C@@H]1[NH2+]CN(C2CCCCC2)C1=O 84447560 573895670 /nfs/dbraw/zinc/89/56/70/573895670.db2.gz XHOQKUXWEXKHKW-QMMMGPOBSA-N 1 2 182.267 1.097 10 0 ADAELO Cn1ccc([C@@H]([NH3+])c2ncco2)c1 76602082 573896139 /nfs/dbraw/zinc/89/61/39/573896139.db2.gz NLFXPCKJJBEEEG-MRVPVSSYSA-N 1 2 177.207 1.061 10 0 ADAELO CC(C)Cc1c[nH]c(C2(CO)CC2)[nH+]1 258993357 573896452 /nfs/dbraw/zinc/89/64/52/573896452.db2.gz BGCYAZPUSSNNTF-UHFFFAOYSA-N 1 2 194.278 1.632 10 0 ADAELO CNc1cc(Nc2cc[nH]c2)nc[nH+]1 258988807 573897752 /nfs/dbraw/zinc/89/77/52/573897752.db2.gz BEDPEHVRLINXNY-UHFFFAOYSA-N 1 2 189.222 1.590 10 0 ADAELO CC[C@@H](C(=O)OC)c1[nH]cc(C)[nH+]1 258993360 573898302 /nfs/dbraw/zinc/89/83/02/573898302.db2.gz 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CC[C@H](C)C[C@H](C)N1C(=O)C[NH2+][C@H]1C 127441355 573902211 /nfs/dbraw/zinc/90/22/11/573902211.db2.gz ZFEMSCZUENRNJV-LPEHRKFASA-N 1 2 198.310 1.589 10 0 ADAELO Fc1c[nH+]ccc1NCCOC1CC1 715055740 573904668 /nfs/dbraw/zinc/90/46/68/573904668.db2.gz ORDXMBUINKIDRE-UHFFFAOYSA-N 1 2 196.225 1.234 10 0 ADAELO Cc1cnc([C@H]2CSCC[NH2+]2)o1 257903729 573904789 /nfs/dbraw/zinc/90/47/89/573904789.db2.gz PHAMKICZKSYZOO-SSDOTTSWSA-N 1 2 184.264 1.361 10 0 ADAELO CC(C)[N@@H+]1CC[C@@H](n2cc(O)cn2)C1 257903886 573904849 /nfs/dbraw/zinc/90/48/49/573904849.db2.gz ICHZRHZAAWXJNC-SECBINFHSA-N 1 2 195.266 1.244 10 0 ADAELO CC(C)[N@H+]1CC[C@@H](n2cc(O)cn2)C1 257903886 573904853 /nfs/dbraw/zinc/90/48/53/573904853.db2.gz ICHZRHZAAWXJNC-SECBINFHSA-N 1 2 195.266 1.244 10 0 ADAELO CCCc1c[nH]c(C2(CO)CCC2)[nH+]1 259226381 573904960 /nfs/dbraw/zinc/90/49/60/573904960.db2.gz ZVTSXOMGVYNICU-UHFFFAOYSA-N 1 2 194.278 1.776 10 0 ADAELO CC[C@H](C[NH2+]C)c1n[nH]c(=S)o1 259233402 573906312 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XXAYKZKCVAMPLN-QMMMGPOBSA-N 1 2 180.251 1.591 10 0 ADAELO CCCc1cn2c([nH+]1)CCC[C@H]2O 258454824 573910194 /nfs/dbraw/zinc/91/01/94/573910194.db2.gz PROSBBLRZZBDJJ-SNVBAGLBSA-N 1 2 180.251 1.663 10 0 ADAELO C[C@H](O)c1cc[nH+]c(N2CCCC2)c1 87414357 573910627 /nfs/dbraw/zinc/91/06/27/573910627.db2.gz IODXDNWFUXVTAH-VIFPVBQESA-N 1 2 192.262 1.735 10 0 ADAELO C[C@@H](O)c1ccnc(-n2cc[nH+]c2)c1 87414577 573910782 /nfs/dbraw/zinc/91/07/82/573910782.db2.gz HJAPYZZSHCYLGJ-MRVPVSSYSA-N 1 2 189.218 1.321 10 0 ADAELO C/C=C/C=C/[NH3+] 80725661 573910800 /nfs/dbraw/zinc/91/08/00/573910800.db2.gz FJNLGRCWQZQBSR-MQQKCMAXSA-N 1 2 83.134 1.035 10 0 ADAELO C[C@H](O)c1cc[nH+]c(N(C)C)c1 87414397 573910917 /nfs/dbraw/zinc/91/09/17/573910917.db2.gz DGPVNIGSOGMZDW-ZETCQYMHSA-N 1 2 166.224 1.201 10 0 ADAELO CC(=O)Cc1[nH]cc(C(C)(C)C)[nH+]1 259004016 573913245 /nfs/dbraw/zinc/91/32/45/573913245.db2.gz CIZSJYNBJRXWFY-UHFFFAOYSA-N 1 2 180.251 1.839 10 0 ADAELO CC[NH2+]CC(F)(F)Br 80881797 573916890 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173.256 1.328 10 0 ADAELO C[C@H]1CC(=O)Nc2cc(N)ccc2[NH2+]1 103178930 573920586 /nfs/dbraw/zinc/92/05/86/573920586.db2.gz ZUJFJRKGNNHMRQ-LURJTMIESA-N 1 2 191.234 1.411 10 0 ADAELO CCCCCOC(=O)[C@H](CC)[NH2+]C 44627141 573920634 /nfs/dbraw/zinc/92/06/34/573920634.db2.gz YWJBKIXTGUASGD-VIFPVBQESA-N 1 2 187.283 1.718 10 0 ADAELO FC(F)C[NH2+]C1C2(CC2)C12CC2 642824120 573920836 /nfs/dbraw/zinc/92/08/36/573920836.db2.gz OTYXPBOWKGRBGJ-UHFFFAOYSA-N 1 2 173.206 1.784 10 0 ADAELO CC[C@H]([NH2+]C)C(=O)O[C@H](C)CC 44626745 573920949 /nfs/dbraw/zinc/92/09/49/573920949.db2.gz VRJIHFISPADBFP-SFYZADRCSA-N 1 2 173.256 1.326 10 0 ADAELO C[NH2+]CC[NH2+][C@H]1C[C@@H]1c1ccccc1 44675843 573922030 /nfs/dbraw/zinc/92/20/30/573922030.db2.gz AUOPNXJRHSOGJL-NEPJUHHUSA-N 1 2 190.290 1.352 10 0 ADAELO CC[C@@H]([NH2+]C)C(=O)OCC(C)C 44626900 573922071 /nfs/dbraw/zinc/92/20/71/573922071.db2.gz ISCUQAGOOSKVDA-MRVPVSSYSA-N 1 2 173.256 1.184 10 0 ADAELO CC[C@H](C)OC(=O)[C@@H](CC)[NH2+]C 44626743 573922117 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/nfs/dbraw/zinc/96/73/89/573967389.db2.gz GGIXBTWIBQNLGZ-UHFFFAOYSA-N 1 2 152.197 1.240 10 0 ADAELO OCC[C@H]1C[NH2+]c2ccc(O)cc21 258191734 573969337 /nfs/dbraw/zinc/96/93/37/573969337.db2.gz TZVQBDSPUXNBSV-ZETCQYMHSA-N 1 2 179.219 1.284 10 0 ADAELO Cc1ccc([C@H]2CN(C)CC[N@@H+]2C)o1 259030710 573969434 /nfs/dbraw/zinc/96/94/34/573969434.db2.gz JSWNAOHJXYFKQY-SNVBAGLBSA-N 1 2 194.278 1.506 10 0 ADAELO Cc1ccc([C@H]2CN(C)CC[N@H+]2C)o1 259030710 573969440 /nfs/dbraw/zinc/96/94/40/573969440.db2.gz JSWNAOHJXYFKQY-SNVBAGLBSA-N 1 2 194.278 1.506 10 0 ADAELO Cc1ccc([C@@H]2CN(C)CC[N@@H+]2C)o1 259030706 573969876 /nfs/dbraw/zinc/96/98/76/573969876.db2.gz JSWNAOHJXYFKQY-JTQLQIEISA-N 1 2 194.278 1.506 10 0 ADAELO Cc1ccc([C@@H]2CN(C)CC[N@H+]2C)o1 259030706 573969879 /nfs/dbraw/zinc/96/98/79/573969879.db2.gz JSWNAOHJXYFKQY-JTQLQIEISA-N 1 2 194.278 1.506 10 0 ADAELO C[NH2+][C@H](C=C(C)C)c1cn[nH]n1 87600569 573972119 /nfs/dbraw/zinc/97/21/19/573972119.db2.gz MKQGYPIKTRYYFQ-SSDOTTSWSA-N 1 2 166.228 1.031 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TXYCGYPRQSNKHY-MRVPVSSYSA-N 1 2 194.263 1.175 10 0 ADAELO C[NH2+][C@H](c1c[nH]nn1)C(C)(C)C 87600652 573972280 /nfs/dbraw/zinc/97/22/80/573972280.db2.gz XVGUMIXCIHQNRS-SSDOTTSWSA-N 1 2 168.244 1.111 10 0 ADAELO C[NH2+][C@H](c1cn[nH]n1)C(C)(C)C 87600652 573972283 /nfs/dbraw/zinc/97/22/83/573972283.db2.gz XVGUMIXCIHQNRS-SSDOTTSWSA-N 1 2 168.244 1.111 10 0 ADAELO C[NH2+][C@H](c1cn[nH]n1)C1CCCC1 87600813 573972392 /nfs/dbraw/zinc/97/23/92/573972392.db2.gz ABVOEKQGWMIREH-VIFPVBQESA-N 1 2 180.255 1.255 10 0 ADAELO C[NH2+][C@H](c1c[nH]nn1)C1CCCC1 87600813 573972396 /nfs/dbraw/zinc/97/23/96/573972396.db2.gz ABVOEKQGWMIREH-VIFPVBQESA-N 1 2 180.255 1.255 10 0 ADAELO O=Cc1ccccc1Cc1c[nH]c[nH+]1 104397978 573972663 /nfs/dbraw/zinc/97/26/63/573972663.db2.gz SSOXMHOOMOFZFZ-UHFFFAOYSA-N 1 2 186.214 1.813 10 0 ADAELO c1cc(-c2[nH]cc[nH+]2)c[nH]1 104398962 573972750 /nfs/dbraw/zinc/97/27/50/573972750.db2.gz GBFJXNSWDWIZBB-UHFFFAOYSA-N 1 2 133.154 1.405 10 0 ADAELO [NH3+][C@H](CC1CCCCC1)c1cnn[nH]1 87600312 573972788 /nfs/dbraw/zinc/97/27/88/573972788.db2.gz ZBEOIUQLJFEFQW-SECBINFHSA-N 1 2 194.282 1.775 10 0 ADAELO [NH3+][C@H](c1cnn[nH]1)C1CCCCC1 87600467 573972832 /nfs/dbraw/zinc/97/28/32/573972832.db2.gz PPNKEUVHZJZTAI-VIFPVBQESA-N 1 2 180.255 1.385 10 0 ADAELO O=Cc1ccnc(-n2cc[nH+]c2)c1 104397303 573974857 /nfs/dbraw/zinc/97/48/57/573974857.db2.gz AVHNTORCXLMWCZ-UHFFFAOYSA-N 1 2 173.175 1.080 10 0 ADAELO CCCCCC[C@H]([NH3+])c1cnn[nH]1 87599924 573974893 /nfs/dbraw/zinc/97/48/93/573974893.db2.gz NTJVCOCPMCOKOK-QMMMGPOBSA-N 1 2 182.271 1.775 10 0 ADAELO Cc1cc(C)c([C@@H]([NH3+])NN)c(C)c1 259254550 573975157 /nfs/dbraw/zinc/97/51/57/573975157.db2.gz GOLIIGBBYZKEMV-JTQLQIEISA-N 1 2 179.267 1.032 10 0 ADAELO C[NH2+][C@@H](C=C(C)C)c1cn[nH]n1 87600568 573975239 /nfs/dbraw/zinc/97/52/39/573975239.db2.gz MKQGYPIKTRYYFQ-ZETCQYMHSA-N 1 2 166.228 1.031 10 0 ADAELO C[NH2+][C@@H](C=C(C)C)c1c[nH]nn1 87600568 573975248 /nfs/dbraw/zinc/97/52/48/573975248.db2.gz MKQGYPIKTRYYFQ-ZETCQYMHSA-N 1 2 166.228 1.031 10 0 ADAELO C[C@@H]1CCC[C@@H]([C@H]([NH3+])c2cnn[nH]2)C1 87599899 573975291 /nfs/dbraw/zinc/97/52/91/573975291.db2.gz XFKGWYUYAHTVDS-MRTMQBJTSA-N 1 2 194.282 1.631 10 0 ADAELO COc1cccc2[nH+]c(N)ccc12 104394728 573975359 /nfs/dbraw/zinc/97/53/59/573975359.db2.gz GJIWCNOAVYRNIB-UHFFFAOYSA-N 1 2 174.203 1.826 10 0 ADAELO Cc1ccsc1[C@H]([NH3+])c1cnn[nH]1 87600327 573975585 /nfs/dbraw/zinc/97/55/85/573975585.db2.gz MGUHUMNPSBOHBV-SSDOTTSWSA-N 1 2 194.263 1.223 10 0 ADAELO C[NH2+][C@H](c1cn[nH]n1)C1CCCCC1 87600828 573975671 /nfs/dbraw/zinc/97/56/71/573975671.db2.gz KWWPUNTVXHNIFO-JTQLQIEISA-N 1 2 194.282 1.646 10 0 ADAELO C[NH2+][C@H](c1c[nH]nn1)C1CCCCC1 87600828 573975673 /nfs/dbraw/zinc/97/56/73/573975673.db2.gz KWWPUNTVXHNIFO-JTQLQIEISA-N 1 2 194.282 1.646 10 0 ADAELO Oc1c(F)cccc1-c1[nH]cc[nH+]1 104400326 573975839 /nfs/dbraw/zinc/97/58/39/573975839.db2.gz PGLDFDKBLJQTJN-UHFFFAOYSA-N 1 2 178.166 1.921 10 0 ADAELO N[C@@H]1[NH2+]CCc2c1[nH]c1ccccc21 259254073 573975877 /nfs/dbraw/zinc/97/58/77/573975877.db2.gz ATFASSSYZLYHQL-LLVKDONJSA-N 1 2 187.246 1.271 10 0 ADAELO C[NH2+][C@@H](c1cnn[nH]1)c1cccs1 87600838 573976087 /nfs/dbraw/zinc/97/60/87/573976087.db2.gz TXYCGYPRQSNKHY-QMMMGPOBSA-N 1 2 194.263 1.175 10 0 ADAELO C[NH2+][C@@H](c1cn[nH]n1)c1cccs1 87600838 573976090 /nfs/dbraw/zinc/97/60/90/573976090.db2.gz TXYCGYPRQSNKHY-QMMMGPOBSA-N 1 2 194.263 1.175 10 0 ADAELO C[NH2+][C@@H](c1c[nH]nn1)c1cccs1 87600838 573976093 /nfs/dbraw/zinc/97/60/93/573976093.db2.gz TXYCGYPRQSNKHY-QMMMGPOBSA-N 1 2 194.263 1.175 10 0 ADAELO Cc1ccccc1[C@H]([NH3+])c1cnn[nH]1 87599833 573976128 /nfs/dbraw/zinc/97/61/28/573976128.db2.gz WLHPVRUQVNRSMZ-JTQLQIEISA-N 1 2 188.234 1.161 10 0 ADAELO Cc1ccc([C@@H]([NH3+])c2cnn[nH]2)cc1 87600202 573976330 /nfs/dbraw/zinc/97/63/30/573976330.db2.gz HJWKUJWLCXATHR-SNVBAGLBSA-N 1 2 188.234 1.161 10 0 ADAELO CC[C@H](C)[C@@H](O)c1c[nH]c[nH+]1 104401407 573978694 /nfs/dbraw/zinc/97/86/94/573978694.db2.gz POTZHSFOYCZEMF-POYBYMJQSA-N 1 2 154.213 1.489 10 0 ADAELO CC[C@H](C)[C@@H](O)c1c[nH+]c[nH]1 104401407 573978699 /nfs/dbraw/zinc/97/86/99/573978699.db2.gz POTZHSFOYCZEMF-POYBYMJQSA-N 1 2 154.213 1.489 10 0 ADAELO CC(C)[C@@H](O)c1c[nH]c[nH+]1 104401651 573977981 /nfs/dbraw/zinc/97/79/81/573977981.db2.gz ITXSXCIPTKRWSO-SSDOTTSWSA-N 1 2 140.186 1.099 10 0 ADAELO CC(C)[C@@H](O)c1c[nH+]c[nH]1 104401651 573977985 /nfs/dbraw/zinc/97/79/85/573977985.db2.gz ITXSXCIPTKRWSO-SSDOTTSWSA-N 1 2 140.186 1.099 10 0 ADAELO CC[C@@H](C)[C@H](O)c1c[nH]c[nH+]1 104401397 573980390 /nfs/dbraw/zinc/98/03/90/573980390.db2.gz POTZHSFOYCZEMF-SVRRBLITSA-N 1 2 154.213 1.489 10 0 ADAELO CC[C@@H](C)[C@H](O)c1c[nH+]c[nH]1 104401397 573980394 /nfs/dbraw/zinc/98/03/94/573980394.db2.gz POTZHSFOYCZEMF-SVRRBLITSA-N 1 2 154.213 1.489 10 0 ADAELO Nn1cc[nH+]c1CCc1ccccc1 104399623 573979672 /nfs/dbraw/zinc/97/96/72/573979672.db2.gz VBDVUHXDXSKLQV-UHFFFAOYSA-N 1 2 187.246 1.382 10 0 ADAELO C[C@H](CO)c1ccc2c(c1)[nH+]cn2C 258194251 573979763 /nfs/dbraw/zinc/97/97/63/573979763.db2.gz XQRAJRHMRLHCRF-MRVPVSSYSA-N 1 2 190.246 1.669 10 0 ADAELO Nc1ccc(F)c(Cc2c[nH]c[nH+]2)c1 104399625 573979838 /nfs/dbraw/zinc/97/98/38/573979838.db2.gz XBRZKWIZMCQPDW-UHFFFAOYSA-N 1 2 191.209 1.722 10 0 ADAELO Nc1ccc(C2CC([NH3+])C2)cc1S 259255580 573979904 /nfs/dbraw/zinc/97/99/04/573979904.db2.gz AMCLKYMSIMIGBJ-UHFFFAOYSA-N 1 2 194.303 1.762 10 0 ADAELO Cc1c(-c2ccc(N)[nH+]c2)cnn1C 85112253 573980026 /nfs/dbraw/zinc/98/00/26/573980026.db2.gz RIORWIAXSKESEF-UHFFFAOYSA-N 1 2 188.234 1.373 10 0 ADAELO Cc1ccc(Cc2cc(N)cn[nH+]2)cc1 259257653 573983649 /nfs/dbraw/zinc/98/36/49/573983649.db2.gz AHIGCJPJZBLLBX-UHFFFAOYSA-N 1 2 199.257 1.958 10 0 ADAELO Cc1cccc(Cc2cc(N)cn[nH+]2)c1 259589759 573986022 /nfs/dbraw/zinc/98/60/22/573986022.db2.gz YYPOYUZMUHPBLO-UHFFFAOYSA-N 1 2 199.257 1.958 10 0 ADAELO c1csc([C@@H]2[NH2+]CCS2)n1 82054154 573986247 /nfs/dbraw/zinc/98/62/47/573986247.db2.gz DDIIJCOTXQXFRE-ZCFIWIBFSA-N 1 2 172.278 1.478 10 0 ADAELO Cc1nc(F)ccc1-c1[nH]cc[nH+]1 104466086 573990348 /nfs/dbraw/zinc/99/03/48/573990348.db2.gz ZEKKPMOBRGTDHV-UHFFFAOYSA-N 1 2 177.182 1.919 10 0 ADAELO Cn1cc[nH+]c1-c1ccc(O)cc1O 104463560 573990409 /nfs/dbraw/zinc/99/04/09/573990409.db2.gz FTOOQGIZRNNZOZ-UHFFFAOYSA-N 1 2 190.202 1.498 10 0 ADAELO Cc1ccc(-c2[nH]cc[nH+]2)cn1 104466612 573990494 /nfs/dbraw/zinc/99/04/94/573990494.db2.gz RRPRXWVATGBQCC-UHFFFAOYSA-N 1 2 159.192 1.780 10 0 ADAELO COc1ncccc1-c1[nH]cc[nH+]1 104463161 573990509 /nfs/dbraw/zinc/99/05/09/573990509.db2.gz CPFDWRAHTUFMKM-UHFFFAOYSA-N 1 2 175.191 1.480 10 0 ADAELO Nc1ccc(-c2[nH]cc[nH+]2)c(N)c1 104467757 573990540 /nfs/dbraw/zinc/99/05/40/573990540.db2.gz ZUSKREIHLGDHNQ-UHFFFAOYSA-N 1 2 174.207 1.241 10 0 ADAELO Cc1ccc(-c2[nH+]ccn2C)cn1 104465019 573992584 /nfs/dbraw/zinc/99/25/84/573992584.db2.gz GMSPEDCEVJALKC-UHFFFAOYSA-N 1 2 173.219 1.791 10 0 ADAELO OCc1cc(-c2[nH]cc[nH+]2)ccc1F 104464459 573992729 /nfs/dbraw/zinc/99/27/29/573992729.db2.gz HCKRVHYFQBPIMH-UHFFFAOYSA-N 1 2 192.193 1.708 10 0 ADAELO Cc1cc(-c2[nH+]ccn2C)cnc1F 104465023 573992844 /nfs/dbraw/zinc/99/28/44/573992844.db2.gz QKXBCIDDSWNZJL-UHFFFAOYSA-N 1 2 191.209 1.930 10 0 ADAELO COc1ncc(-c2[nH]cc[nH+]2)cc1F 104466618 573993604 /nfs/dbraw/zinc/99/36/04/573993604.db2.gz CWYDGQTZZPIHBS-UHFFFAOYSA-N 1 2 193.181 1.619 10 0 ADAELO Nc1cccc(Nc2ccccn2)[nH+]1 211382069 573993678 /nfs/dbraw/zinc/99/36/78/573993678.db2.gz MTDZSMOLFBNSAJ-UHFFFAOYSA-N 1 2 186.218 1.802 10 0 ADAELO COc1cc(-c2[nH]cc[nH+]2)c(F)cn1 104466623 573993692 /nfs/dbraw/zinc/99/36/92/573993692.db2.gz KRURDHYLPNBPKH-UHFFFAOYSA-N 1 2 193.181 1.619 10 0 ADAELO CCc1cn([C@H](C)C(=O)OC)c[nH+]1 259591038 573994722 /nfs/dbraw/zinc/99/47/22/573994722.db2.gz BZDMAZDQJRMXIB-SSDOTTSWSA-N 1 2 182.223 1.180 10 0 ADAELO CCc1cn([C@@H](C)C(=O)OC)c[nH+]1 259591048 573994800 /nfs/dbraw/zinc/99/48/00/573994800.db2.gz BZDMAZDQJRMXIB-ZETCQYMHSA-N 1 2 182.223 1.180 10 0 ADAELO Cc1nc([C@@H]2COCC[NH2+]2)ccc1F 104480375 574000955 /nfs/dbraw/zinc/00/09/55/574000955.db2.gz ZXDQZEDUKDFPOX-JTQLQIEISA-N 1 2 196.225 1.190 10 0 ADAELO C/C(=C\c1c[nH+]cn1C)[N+](=O)[O-] 85168337 574000995 /nfs/dbraw/zinc/00/09/95/574000995.db2.gz XBDHXHVIOITUCE-ZZXKWVIFSA-N 1 2 167.168 1.058 10 0 ADAELO Cn1c[nH+]cc1[C@@H](O)C(F)(F)F 85172081 574000330 /nfs/dbraw/zinc/00/03/30/574000330.db2.gz VXSLBYIKDMXYEJ-RXMQYKEDSA-N 1 2 180.129 1.016 10 0 ADAELO CCOC(=O)N[C@@H](C)c1[nH+]ccn1C 82276731 574000348 /nfs/dbraw/zinc/00/03/48/574000348.db2.gz AGBRLDJLJPRSRN-ZETCQYMHSA-N 1 2 197.238 1.227 10 0 ADAELO C[NH+](C)CC(=O)c1cc(N)ccc1F 104479708 574000609 /nfs/dbraw/zinc/00/06/09/574000609.db2.gz HGJODXUUHIGSKE-UHFFFAOYSA-N 1 2 196.225 1.152 10 0 ADAELO Sc1ccc([C@H]2COCC[NH2+]2)cc1 104479535 574000715 /nfs/dbraw/zinc/00/07/15/574000715.db2.gz JPLNQHLWJDILRJ-SNVBAGLBSA-N 1 2 195.287 1.636 10 0 ADAELO CC(C)[C@H](O)c1c[nH+]cn1C 85171316 574000773 /nfs/dbraw/zinc/00/07/73/574000773.db2.gz CRDHVJBEYMKKHD-QMMMGPOBSA-N 1 2 154.213 1.110 10 0 ADAELO Cn1c[nH+]cc1[C@@H](O)c1ccoc1 85171734 574002394 /nfs/dbraw/zinc/00/23/94/574002394.db2.gz ZMMDUWMHLYHMGZ-VIFPVBQESA-N 1 2 178.191 1.095 10 0 ADAELO CC[N@@H+]1CCC[C@@H]1c1ncc(C=O)o1 258198196 574002424 /nfs/dbraw/zinc/00/24/24/574002424.db2.gz SWJYJCGKLBPSRB-SECBINFHSA-N 1 2 194.234 1.644 10 0 ADAELO CC[N@H+]1CCC[C@@H]1c1ncc(C=O)o1 258198196 574002429 /nfs/dbraw/zinc/00/24/29/574002429.db2.gz SWJYJCGKLBPSRB-SECBINFHSA-N 1 2 194.234 1.644 10 0 ADAELO CCn1nc(C)c(N)c1-c1[nH]cc[nH+]1 85167418 574002576 /nfs/dbraw/zinc/00/25/76/574002576.db2.gz QNESUIOCXVDHFZ-UHFFFAOYSA-N 1 2 191.238 1.184 10 0 ADAELO Cn1c[nH+]cc1[C@@H](O)C1CCCC1 85171686 574002631 /nfs/dbraw/zinc/00/26/31/574002631.db2.gz ITUTYOXHRNQQTF-JTQLQIEISA-N 1 2 180.251 1.644 10 0 ADAELO CC/C(=C\c1c[nH+]cn1C)[N+](=O)[O-] 85168340 574002641 /nfs/dbraw/zinc/00/26/41/574002641.db2.gz UNHGXCKLZYXTQH-QPJJXVBHSA-N 1 2 181.195 1.448 10 0 ADAELO CC(=O)[C@H]1C[C@H]1c1c[nH+]cn1C 85167956 574002952 /nfs/dbraw/zinc/00/29/52/574002952.db2.gz PVDGMPBOMBUUMM-HTQZYQBOSA-N 1 2 164.208 1.113 10 0 ADAELO CC(=O)[C@H]([NH3+])c1ccc(C)c(F)c1F 104489087 574002960 /nfs/dbraw/zinc/00/29/60/574002960.db2.gz CEKGEHGBSGQPNA-JTQLQIEISA-N 1 2 199.200 1.862 10 0 ADAELO CC[NH+]1CC(Oc2nccs2)C1 585379370 574003033 /nfs/dbraw/zinc/00/30/33/574003033.db2.gz KCKZQNRDIPJZMM-UHFFFAOYSA-N 1 2 184.264 1.226 10 0 ADAELO CCC[C@H](O)c1c[nH+]cn1C 85171193 574003843 /nfs/dbraw/zinc/00/38/43/574003843.db2.gz GOUKZXWWGSPOBU-QMMMGPOBSA-N 1 2 154.213 1.254 10 0 ADAELO Cn1c[nH+]cc1[C@@H](O)c1ccco1 85171809 574003869 /nfs/dbraw/zinc/00/38/69/574003869.db2.gz JRVKQVIYWKFESF-SECBINFHSA-N 1 2 178.191 1.095 10 0 ADAELO CC(=O)[C@@H]([NH3+])c1cc2ccccc2[nH]1 104488262 574004202 /nfs/dbraw/zinc/00/42/02/574004202.db2.gz RDJFCDLVIBJHLJ-LLVKDONJSA-N 1 2 188.230 1.757 10 0 ADAELO CCNc1cncc(-n2cc[nH+]c2)n1 82304075 574004212 /nfs/dbraw/zinc/00/42/12/574004212.db2.gz SKZOXXYATCIMDZ-UHFFFAOYSA-N 1 2 189.222 1.094 10 0 ADAELO CCCn1c[nH+]cc1[C@@H](C)O 85187168 574004352 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1248939689 765353801 /nfs/dbraw/zinc/35/38/01/765353801.db2.gz JSCZGYBAHQAMBK-JTQLQIEISA-N 1 2 191.278 1.688 10 0 ADAELO FC(F)Cc1[nH]cc[nH+]1 1250390537 767041624 /nfs/dbraw/zinc/04/16/24/767041624.db2.gz CPVNBVPCSXWAJC-UHFFFAOYSA-N 1 2 132.113 1.217 10 0 ADAELO CCC[C@H](O)CNc1cc[nH+]nc1 1252774626 767194316 /nfs/dbraw/zinc/19/43/16/767194316.db2.gz SAZVUFRRSSLGBD-VIFPVBQESA-N 1 2 181.239 1.050 10 0 ADAELO CCC[C@@H](O)CNc1cc[nH+]nc1 1252774625 767195484 /nfs/dbraw/zinc/19/54/84/767195484.db2.gz SAZVUFRRSSLGBD-SECBINFHSA-N 1 2 181.239 1.050 10 0 ADAELO CC(C)(C)[C@H](O)C[NH2+][C@H]1CC1(F)F 1253740091 767269259 /nfs/dbraw/zinc/26/92/59/767269259.db2.gz NZBAIKPNMYAKER-NKWVEPMBSA-N 1 2 193.237 1.391 10 0 ADAELO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CC1(F)F 1253740092 767270196 /nfs/dbraw/zinc/27/01/96/767270196.db2.gz NZBAIKPNMYAKER-RNFRBKRXSA-N 1 2 193.237 1.391 10 0 ADAELO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CC1(F)F 1253740090 767271960 /nfs/dbraw/zinc/27/19/60/767271960.db2.gz 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185.230 1.650 10 0 ADAELO Cc1cccc2[nH+]c(CCCO)[nH]c12 86085554 1169122908 /nfs/dbraw/zinc/12/29/08/1169122908.db2.gz LVJCCZZIJGMRAR-UHFFFAOYSA-N 1 2 190.246 1.796 10 0 ADAELO Cc1cccc2[nH]c(CCCO)[nH+]c12 86085554 1169122916 /nfs/dbraw/zinc/12/29/16/1169122916.db2.gz LVJCCZZIJGMRAR-UHFFFAOYSA-N 1 2 190.246 1.796 10 0 ADAELO CC(C)c1ccoc1C(=[NH2+])NN 757122847 673914739 /nfs/dbraw/zinc/91/47/39/673914739.db2.gz YAZKLLMAGKFIRL-UHFFFAOYSA-N 1 2 167.212 1.192 10 0 ADAELO CCCCc1ccoc1C(=[NH2+])NN 757122032 673914914 /nfs/dbraw/zinc/91/49/14/673914914.db2.gz NOEWZAXFLMAVAJ-UHFFFAOYSA-N 1 2 181.239 1.411 10 0 ADAELO CC(C)Cc1ccoc1C(=[NH2+])NN 757122688 673915200 /nfs/dbraw/zinc/91/52/00/673915200.db2.gz UGEYWNLHCAMAPT-UHFFFAOYSA-N 1 2 181.239 1.267 10 0 ADAELO C[C@@H]1COCC[N@@H+]1Cc1ccoc1 306321862 673916104 /nfs/dbraw/zinc/91/61/04/673916104.db2.gz XLDXMXPAGBTXGU-SECBINFHSA-N 1 2 181.235 1.500 10 0 ADAELO C[C@@H]1COCC[N@H+]1Cc1ccoc1 306321862 673916105 /nfs/dbraw/zinc/91/61/05/673916105.db2.gz 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/nfs/dbraw/zinc/16/78/41/1169167841.db2.gz FKEOHAURVYPHOP-UHFFFAOYSA-N 1 2 180.251 1.655 10 0 ADAELO OC1C[NH+](CCCC(F)(F)F)C1 124177559 1169168444 /nfs/dbraw/zinc/16/84/44/1169168444.db2.gz QAOSTFZKJZYRIF-UHFFFAOYSA-N 1 2 183.173 1.005 10 0 ADAELO COCC(C)(C)Nc1cccc[nH+]1 125417864 1169171590 /nfs/dbraw/zinc/17/15/90/1169171590.db2.gz SFOCNXFIEDAAQJ-UHFFFAOYSA-N 1 2 180.251 1.919 10 0 ADAELO COc1cc(NCC(C)(C)O)cc[nH+]1 127050931 1169176819 /nfs/dbraw/zinc/17/68/19/1169176819.db2.gz ZPNDBGZPPNQVGH-UHFFFAOYSA-N 1 2 196.250 1.273 10 0 ADAELO Cc1nc(NC(C)(C)CCO)cc[nH+]1 129621970 1169181677 /nfs/dbraw/zinc/18/16/77/1169181677.db2.gz VHITYDIOFQNSEK-UHFFFAOYSA-N 1 2 195.266 1.358 10 0 ADAELO CC(=O)NCCCCCn1cc[nH+]c1 169945268 673970850 /nfs/dbraw/zinc/97/08/50/673970850.db2.gz XDECKVPSKPLYFE-UHFFFAOYSA-N 1 2 195.266 1.190 10 0 ADAELO CCOC(=O)/C=C/c1c[nH+]cn1CC 84818013 673976177 /nfs/dbraw/zinc/97/61/77/673976177.db2.gz OSYFSJZECYGIAD-AATRIKPKSA-N 1 2 194.234 1.479 10 0 ADAELO Cc1ccc(CCn2cc[nH+]c2)nc1 138094186 1169197286 /nfs/dbraw/zinc/19/72/86/1169197286.db2.gz IAWHPAMODZSBET-UHFFFAOYSA-N 1 2 187.246 1.829 10 0 ADAELO Cc1nc(C[N@@H+](C)[C@H](C)CO)oc1C 158861344 673977499 /nfs/dbraw/zinc/97/74/99/673977499.db2.gz VIAMVNNQZYRAJN-SSDOTTSWSA-N 1 2 198.266 1.104 10 0 ADAELO Cc1nc(C[N@H+](C)[C@H](C)CO)oc1C 158861344 673977501 /nfs/dbraw/zinc/97/75/01/673977501.db2.gz VIAMVNNQZYRAJN-SSDOTTSWSA-N 1 2 198.266 1.104 10 0 ADAELO Cc1nc(C[N@@H+](C)[C@@H](C)CO)oc1C 158861198 673977821 /nfs/dbraw/zinc/97/78/21/673977821.db2.gz VIAMVNNQZYRAJN-ZETCQYMHSA-N 1 2 198.266 1.104 10 0 ADAELO Cc1nc(C[N@H+](C)[C@@H](C)CO)oc1C 158861198 673977823 /nfs/dbraw/zinc/97/78/23/673977823.db2.gz VIAMVNNQZYRAJN-ZETCQYMHSA-N 1 2 198.266 1.104 10 0 ADAELO CCN(CC)c1cc(N(C)C)[nH+]cn1 140165893 1169200725 /nfs/dbraw/zinc/20/07/25/1169200725.db2.gz AFRSVVWQSIXQLF-UHFFFAOYSA-N 1 2 194.282 1.389 10 0 ADAELO CCN(CC)c1cc(N(C)C)nc[nH+]1 140165893 1169200734 /nfs/dbraw/zinc/20/07/34/1169200734.db2.gz AFRSVVWQSIXQLF-UHFFFAOYSA-N 1 2 194.282 1.389 10 0 ADAELO CC(C)CCCC[NH2+]Cc1cn[nH]n1 703992024 673984215 /nfs/dbraw/zinc/98/42/15/673984215.db2.gz TYPUUSPSPIRFJY-UHFFFAOYSA-N 1 2 196.298 1.721 10 0 ADAELO COC1CC(Cn2cc[nH+]c2)C1 704231106 673984799 /nfs/dbraw/zinc/98/47/99/673984799.db2.gz GBDDUAARRZFYJN-UHFFFAOYSA-N 1 2 166.224 1.308 10 0 ADAELO CC[NH2+]Cc1noc([C@H]2CC23CC3)n1 705165804 673985895 /nfs/dbraw/zinc/98/58/95/673985895.db2.gz HHSJXFPSCROQAW-SSDOTTSWSA-N 1 2 193.250 1.447 10 0 ADAELO CC[NH2+]Cc1noc([C@@H]2CC23CC3)n1 705165806 673986264 /nfs/dbraw/zinc/98/62/64/673986264.db2.gz HHSJXFPSCROQAW-ZETCQYMHSA-N 1 2 193.250 1.447 10 0 ADAELO CCCCOC(=O)C[N@@H+]1C[C@@H](C)[C@@H]1C 706822058 673987880 /nfs/dbraw/zinc/98/78/80/673987880.db2.gz XCMNQKDOXQVSHR-ZJUUUORDSA-N 1 2 199.294 1.670 10 0 ADAELO CCCCOC(=O)C[N@H+]1C[C@@H](C)[C@@H]1C 706822058 673987882 /nfs/dbraw/zinc/98/78/82/673987882.db2.gz XCMNQKDOXQVSHR-ZJUUUORDSA-N 1 2 199.294 1.670 10 0 ADAELO CCCCOC(=O)C[N@@H+]1C[C@H](C)[C@H]1C 706822056 673987925 /nfs/dbraw/zinc/98/79/25/673987925.db2.gz XCMNQKDOXQVSHR-VHSXEESVSA-N 1 2 199.294 1.670 10 0 ADAELO CCCCOC(=O)C[N@H+]1C[C@H](C)[C@H]1C 706822056 673987928 /nfs/dbraw/zinc/98/79/28/673987928.db2.gz XCMNQKDOXQVSHR-VHSXEESVSA-N 1 2 199.294 1.670 10 0 ADAELO CCCCOC(=O)C[N@@H+]1C[C@@H](C)[C@H]1C 706822050 673988043 /nfs/dbraw/zinc/98/80/43/673988043.db2.gz XCMNQKDOXQVSHR-NXEZZACHSA-N 1 2 199.294 1.670 10 0 ADAELO CCCCOC(=O)C[N@H+]1C[C@@H](C)[C@H]1C 706822050 673988046 /nfs/dbraw/zinc/98/80/46/673988046.db2.gz XCMNQKDOXQVSHR-NXEZZACHSA-N 1 2 199.294 1.670 10 0 ADAELO CCCCOC(=O)C[N@@H+]1C[C@H](C)[C@@H]1C 706822053 673988073 /nfs/dbraw/zinc/98/80/73/673988073.db2.gz XCMNQKDOXQVSHR-UWVGGRQHSA-N 1 2 199.294 1.670 10 0 ADAELO CCCCOC(=O)C[N@H+]1C[C@H](C)[C@@H]1C 706822053 673988075 /nfs/dbraw/zinc/98/80/75/673988075.db2.gz XCMNQKDOXQVSHR-UWVGGRQHSA-N 1 2 199.294 1.670 10 0 ADAELO C[C@@H](CF)[NH2+]Cc1nccn1C1CC1 711782392 674003831 /nfs/dbraw/zinc/00/38/31/674003831.db2.gz DKTMOECYOFJZJM-QMMMGPOBSA-N 1 2 197.257 1.666 10 0 ADAELO FCC[NH2+]Cc1nccn1C1CC1 711775534 674004031 /nfs/dbraw/zinc/00/40/31/674004031.db2.gz UZWFGGLKZJMQHI-UHFFFAOYSA-N 1 2 183.230 1.277 10 0 ADAELO C/C=C(/C)C(=O)OCc1c[nH+]cn1C 761004539 674007525 /nfs/dbraw/zinc/00/75/25/674007525.db2.gz YKYFSPPNKIJFNV-YWEYNIOJSA-N 1 2 194.234 1.430 10 0 ADAELO C/C=C(\C)C(=O)OCc1c[nH+]cn1C 761004537 674007568 /nfs/dbraw/zinc/00/75/68/674007568.db2.gz YKYFSPPNKIJFNV-XBXARRHUSA-N 1 2 194.234 1.430 10 0 ADAELO CC(C)(C)C[N@@H+]1CCCC(=O)C1 145897276 1169230311 /nfs/dbraw/zinc/23/03/11/1169230311.db2.gz BHKCIEODDXPULN-UHFFFAOYSA-N 1 2 169.268 1.697 10 0 ADAELO CC(C)(C)C[N@H+]1CCCC(=O)C1 145897276 1169230319 /nfs/dbraw/zinc/23/03/19/1169230319.db2.gz BHKCIEODDXPULN-UHFFFAOYSA-N 1 2 169.268 1.697 10 0 ADAELO CO[C@H]1C[C@H](CNc2cccc[nH+]2)C1 714665918 674017405 /nfs/dbraw/zinc/01/74/05/674017405.db2.gz NFRGVALJFKRNMO-MGCOHNPYSA-N 1 2 192.262 1.919 10 0 ADAELO CCCc1nc2[nH]ccc2c(N)[nH+]1 757566156 674019000 /nfs/dbraw/zinc/01/90/00/674019000.db2.gz KXYDUKZRJLEUGS-UHFFFAOYSA-N 1 2 176.223 1.444 10 0 ADAELO CC(C)Nc1cc(CO)cc[nH+]1 147342171 1169238684 /nfs/dbraw/zinc/23/86/84/1169238684.db2.gz MKAYBVDHMBYYQE-UHFFFAOYSA-N 1 2 166.224 1.394 10 0 ADAELO c1cn(C[C@H]2CC[C@H](C3CC3)O2)c[nH+]1 715471480 674021231 /nfs/dbraw/zinc/02/12/31/674021231.db2.gz VEUHVGLKMNGUHS-GHMZBOCLSA-N 1 2 192.262 1.841 10 0 ADAELO c1cn(C[C@@H]2CC[C@H](C3CC3)O2)c[nH+]1 715471492 674021469 /nfs/dbraw/zinc/02/14/69/674021469.db2.gz VEUHVGLKMNGUHS-WDEREUQCSA-N 1 2 192.262 1.841 10 0 ADAELO c1cn(C[C@H]2CC[C@@H](C3CC3)O2)c[nH+]1 715471484 674021553 /nfs/dbraw/zinc/02/15/53/674021553.db2.gz VEUHVGLKMNGUHS-MNOVXSKESA-N 1 2 192.262 1.841 10 0 ADAELO c1cn(C[C@@H]2CC[C@@H](C3CC3)O2)c[nH+]1 715471489 674021558 /nfs/dbraw/zinc/02/15/58/674021558.db2.gz VEUHVGLKMNGUHS-QWRGUYRKSA-N 1 2 192.262 1.841 10 0 ADAELO Cn1c[nH+]cc1-c1ccncc1N 147848440 1169242810 /nfs/dbraw/zinc/24/28/10/1169242810.db2.gz SVBSPDCVSMCOFA-UHFFFAOYSA-N 1 2 174.207 1.064 10 0 ADAELO CC(C)[N@H+](Cc1ccoc1)C1COC1 824472485 674030824 /nfs/dbraw/zinc/03/08/24/674030824.db2.gz SWTJSUUWLNAVAA-UHFFFAOYSA-N 1 2 195.262 1.889 10 0 ADAELO CC(C)[N@@H+](Cc1ccoc1)C1COC1 824472485 674030825 /nfs/dbraw/zinc/03/08/25/674030825.db2.gz SWTJSUUWLNAVAA-UHFFFAOYSA-N 1 2 195.262 1.889 10 0 ADAELO CCc1nc(C[NH2+]C2CSC2)co1 825058332 674031155 /nfs/dbraw/zinc/03/11/55/674031155.db2.gz VZOTWMROPCNJOP-UHFFFAOYSA-N 1 2 198.291 1.442 10 0 ADAELO c1nnsc1C[N@@H+]1CC[C@@H]2C[C@@H]21 859218132 674040083 /nfs/dbraw/zinc/04/00/83/674040083.db2.gz VTISQJIKCDCNHH-SVRRBLITSA-N 1 2 181.264 1.132 10 0 ADAELO c1nnsc1C[N@H+]1CC[C@@H]2C[C@@H]21 859218132 674040085 /nfs/dbraw/zinc/04/00/85/674040085.db2.gz VTISQJIKCDCNHH-SVRRBLITSA-N 1 2 181.264 1.132 10 0 ADAELO c1nnsc1C[N@@H+]1CC[C@H]2C[C@H]21 859218131 674040314 /nfs/dbraw/zinc/04/03/14/674040314.db2.gz VTISQJIKCDCNHH-POYBYMJQSA-N 1 2 181.264 1.132 10 0 ADAELO c1nnsc1C[N@H+]1CC[C@H]2C[C@H]21 859218131 674040315 /nfs/dbraw/zinc/04/03/15/674040315.db2.gz VTISQJIKCDCNHH-POYBYMJQSA-N 1 2 181.264 1.132 10 0 ADAELO CCOc1ccc[nH+]c1NC[C@H](C)O 160204619 1169260199 /nfs/dbraw/zinc/26/01/99/1169260199.db2.gz NOSLAIMXUWKGHT-QMMMGPOBSA-N 1 2 196.250 1.273 10 0 ADAELO C1=C[C@@H]([NH2+]Cc2ccn[nH]2)CCC1 165903414 1169273307 /nfs/dbraw/zinc/27/33/07/1169273307.db2.gz ZDQXNKGTEPUUAP-SECBINFHSA-N 1 2 177.251 1.608 10 0 ADAELO C1=C[C@H]([NH2+]Cc2ccn[nH]2)CCC1 165903283 1169274842 /nfs/dbraw/zinc/27/48/42/1169274842.db2.gz ZDQXNKGTEPUUAP-VIFPVBQESA-N 1 2 177.251 1.608 10 0 ADAELO Cc1coc(C[NH2+]Cc2ccno2)c1 718110576 674058747 /nfs/dbraw/zinc/05/87/47/674058747.db2.gz UVEAGCPKBQWHTP-UHFFFAOYSA-N 1 2 192.218 1.866 10 0 ADAELO Cc1coc(C[NH2+]Cc2cc[nH]n2)c1 718084606 674059183 /nfs/dbraw/zinc/05/91/83/674059183.db2.gz VGWONAXBFNGYOM-UHFFFAOYSA-N 1 2 191.234 1.601 10 0 ADAELO c1cc(CC[NH+]2CCOCC2)sn1 719819201 674066093 /nfs/dbraw/zinc/06/60/93/674066093.db2.gz UOOURWSXEHZGEZ-UHFFFAOYSA-N 1 2 198.291 1.018 10 0 ADAELO c1cc(CCn2cc[nH+]c2)sn1 719895962 674066340 /nfs/dbraw/zinc/06/63/40/674066340.db2.gz ZRNOLUXUWJMEIG-UHFFFAOYSA-N 1 2 179.248 1.582 10 0 ADAELO Cc1cc(Cn2cc[nH+]c2)c(C)nn1 720605822 674070588 /nfs/dbraw/zinc/07/05/88/674070588.db2.gz GKPYEPBXGIAZQU-UHFFFAOYSA-N 1 2 188.234 1.338 10 0 ADAELO Cc1cc(C[NH2+][C@@H](C)CF)no1 720384051 674068979 /nfs/dbraw/zinc/06/89/79/674068979.db2.gz SLAXAUCKEDGBJE-LURJTMIESA-N 1 2 172.203 1.431 10 0 ADAELO Cc1conc1Cn1cc[nH+]c1 720388540 674069059 /nfs/dbraw/zinc/06/90/59/674069059.db2.gz FCTSTRLZHGXWKA-UHFFFAOYSA-N 1 2 163.180 1.228 10 0 ADAELO C[C@H]1CC[N@H+](Cc2ncc[nH]2)CCO1 720503231 674070783 /nfs/dbraw/zinc/07/07/83/674070783.db2.gz SUGKDWWKLGGIGF-VIFPVBQESA-N 1 2 195.266 1.021 10 0 ADAELO C[C@H]1CC[N@@H+](Cc2ncc[nH]2)CCO1 720503231 674070784 /nfs/dbraw/zinc/07/07/84/674070784.db2.gz SUGKDWWKLGGIGF-VIFPVBQESA-N 1 2 195.266 1.021 10 0 ADAELO C[C@@H]1CC[N@H+](Cc2ncc[nH]2)CCO1 720503228 674070877 /nfs/dbraw/zinc/07/08/77/674070877.db2.gz SUGKDWWKLGGIGF-SECBINFHSA-N 1 2 195.266 1.021 10 0 ADAELO C[C@@H]1CC[N@@H+](Cc2ncc[nH]2)CCO1 720503228 674070878 /nfs/dbraw/zinc/07/08/78/674070878.db2.gz SUGKDWWKLGGIGF-SECBINFHSA-N 1 2 195.266 1.021 10 0 ADAELO c1cn(C[C@@H]2C[C@H]3CCC[C@H]3O2)c[nH+]1 720864879 674072090 /nfs/dbraw/zinc/07/20/90/674072090.db2.gz MPOBTYVXCOHIKK-OUAUKWLOSA-N 1 2 192.262 1.841 10 0 ADAELO c1cn(C[C@@H]2C[C@@H]3CCC[C@H]3O2)c[nH+]1 720864878 674072289 /nfs/dbraw/zinc/07/22/89/674072289.db2.gz MPOBTYVXCOHIKK-GARJFASQSA-N 1 2 192.262 1.841 10 0 ADAELO c1cn(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c[nH+]1 720864875 674072726 /nfs/dbraw/zinc/07/27/26/674072726.db2.gz MPOBTYVXCOHIKK-DCAQKATOSA-N 1 2 192.262 1.841 10 0 ADAELO c1cn(C[C@@H]2C[C@H]3CCC[C@@H]3O2)c[nH+]1 720864880 674073134 /nfs/dbraw/zinc/07/31/34/674073134.db2.gz MPOBTYVXCOHIKK-VWYCJHECSA-N 1 2 192.262 1.841 10 0 ADAELO CO[C@H]1C[C@@H](Cn2cc[nH+]c2)C1 721109968 674077216 /nfs/dbraw/zinc/07/72/16/674077216.db2.gz GBDDUAARRZFYJN-DTORHVGOSA-N 1 2 166.224 1.308 10 0 ADAELO CCC(=O)OCCCc1[nH+]ccn1C 802786565 674081974 /nfs/dbraw/zinc/08/19/74/674081974.db2.gz UIZLDJXRLONNDT-UHFFFAOYSA-N 1 2 196.250 1.306 10 0 ADAELO Cn1c[nH+]cc1-c1ccccc1N 204042660 1169310160 /nfs/dbraw/zinc/31/01/60/1169310160.db2.gz VSCMPJMQCJJODS-UHFFFAOYSA-N 1 2 173.219 1.669 10 0 ADAELO c1cnc(-c2ccn3cc[nH+]c3c2)nc1 204746255 1169316171 /nfs/dbraw/zinc/31/61/71/1169316171.db2.gz NOSGSPYLJQRILE-UHFFFAOYSA-N 1 2 196.213 1.791 10 0 ADAELO C[NH+](C)Cc1ncc(Cl)cn1 205306594 1169320249 /nfs/dbraw/zinc/32/02/49/1169320249.db2.gz JLWGGTUQOGUBJL-UHFFFAOYSA-N 1 2 171.631 1.192 10 0 ADAELO C[NH+]1CC(Oc2ccc(O)cc2)C1 212811370 1169330866 /nfs/dbraw/zinc/33/08/66/1169330866.db2.gz HLKWLJCXFRNHID-UHFFFAOYSA-N 1 2 179.219 1.085 10 0 ADAELO C[NH+]1CC(Oc2cccc(O)c2)C1 212811180 1169331268 /nfs/dbraw/zinc/33/12/68/1169331268.db2.gz OVGNGVFTIQIPQJ-UHFFFAOYSA-N 1 2 179.219 1.085 10 0 ADAELO COc1cc[nH+]cc1NC(C)C 212252224 1169332655 /nfs/dbraw/zinc/33/26/55/1169332655.db2.gz PQOJMZYLWPAQIW-UHFFFAOYSA-N 1 2 166.224 1.911 10 0 ADAELO C[NH+](C)Cc1nnc(C(C)(C)C)o1 218374952 1169341785 /nfs/dbraw/zinc/34/17/85/1169341785.db2.gz BYCXNZWMXLXFKO-UHFFFAOYSA-N 1 2 183.255 1.429 10 0 ADAELO CCOC(=O)CCCc1[nH]cc[nH+]1 222601012 1169358040 /nfs/dbraw/zinc/35/80/40/1169358040.db2.gz PXPSJCRGDVGOKD-UHFFFAOYSA-N 1 2 182.223 1.296 10 0 ADAELO COC(=O)C1([NH2+]C2CCCC2)CC1 226559560 1169378389 /nfs/dbraw/zinc/37/83/89/1169378389.db2.gz RLUQWJXAHVERBP-UHFFFAOYSA-N 1 2 183.251 1.224 10 0 ADAELO COC[C@H](C)[NH2+][C@@H](C)C(F)F 228478518 1169382453 /nfs/dbraw/zinc/38/24/53/1169382453.db2.gz BGBAYKJLKLKJLX-WDSKDSINSA-N 1 2 167.199 1.265 10 0 ADAELO COC[C@@H](C)[NH2+][C@H](C)C(F)F 228478526 1169382675 /nfs/dbraw/zinc/38/26/75/1169382675.db2.gz BGBAYKJLKLKJLX-PHDIDXHHSA-N 1 2 167.199 1.265 10 0 ADAELO COC[C@H](C)[NH2+][C@H](C)C(F)F 228478529 1169383071 /nfs/dbraw/zinc/38/30/71/1169383071.db2.gz BGBAYKJLKLKJLX-NTSWFWBYSA-N 1 2 167.199 1.265 10 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1308137037 1170189420 /nfs/dbraw/zinc/18/94/20/1170189420.db2.gz NEJYNIYSHYDCRR-UHFFFAOYSA-N 1 2 197.307 1.770 10 0 ADAELO C[NH+](C)Cc1nnc(C2=CCCC2)o1 1322399617 1170216596 /nfs/dbraw/zinc/21/65/96/1170216596.db2.gz GKCBLODLWNIDPZ-UHFFFAOYSA-N 1 2 193.250 1.699 10 0 ADAELO Cc1cc(C[N@@H+]2CC[C@H]2C2CC2)n[nH]1 1324663861 1170226165 /nfs/dbraw/zinc/22/61/65/1170226165.db2.gz VIVJHHPIRVVPIJ-NSHDSACASA-N 1 2 191.278 1.702 10 0 ADAELO Cc1cc(C[N@H+]2CC[C@H]2C2CC2)n[nH]1 1324663861 1170226169 /nfs/dbraw/zinc/22/61/69/1170226169.db2.gz VIVJHHPIRVVPIJ-NSHDSACASA-N 1 2 191.278 1.702 10 0 ADAELO Cc1cc(C[N@@H+]2CC[C@@H]2C2CC2)n[nH]1 1324663860 1170227108 /nfs/dbraw/zinc/22/71/08/1170227108.db2.gz VIVJHHPIRVVPIJ-LLVKDONJSA-N 1 2 191.278 1.702 10 0 ADAELO Cc1cc(C[N@H+]2CC[C@@H]2C2CC2)n[nH]1 1324663860 1170227113 /nfs/dbraw/zinc/22/71/13/1170227113.db2.gz VIVJHHPIRVVPIJ-LLVKDONJSA-N 1 2 191.278 1.702 10 0 ADAELO CC[C@@H](C)Cc1nnc(C[NH+](C)C)o1 1325827520 1170235033 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/nfs/dbraw/zinc/24/06/83/1170240683.db2.gz BUZRMCKOKUKKNI-IONNQARKSA-N 1 2 179.267 1.558 10 0 ADAELO Cc1cc(C[N@H+]2C[C@H](C)[C@@H]2C)n[nH]1 1326341409 1170240790 /nfs/dbraw/zinc/24/07/90/1170240790.db2.gz BUZRMCKOKUKKNI-CBAPKCEASA-N 1 2 179.267 1.558 10 0 ADAELO Cc1cc(C[N@@H+]2C[C@H](C)[C@@H]2C)n[nH]1 1326341409 1170240796 /nfs/dbraw/zinc/24/07/96/1170240796.db2.gz BUZRMCKOKUKKNI-CBAPKCEASA-N 1 2 179.267 1.558 10 0 ADAELO Cc1cc(C[N@H+]2C[C@@H](C)[C@@H]2C)n[nH]1 1326341300 1170240899 /nfs/dbraw/zinc/24/08/99/1170240899.db2.gz BUZRMCKOKUKKNI-APPZFPTMSA-N 1 2 179.267 1.558 10 0 ADAELO Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H]2C)n[nH]1 1326341300 1170240907 /nfs/dbraw/zinc/24/09/07/1170240907.db2.gz BUZRMCKOKUKKNI-APPZFPTMSA-N 1 2 179.267 1.558 10 0 ADAELO CC(C)[C@H]1CC[N@H+](Cc2nnc[nH]2)C1 1327870670 1170254476 /nfs/dbraw/zinc/25/44/76/1170254476.db2.gz MYXOOUBWJZDBRN-VIFPVBQESA-N 1 2 194.282 1.283 10 0 ADAELO CC(C)[C@H]1CC[N@@H+](Cc2nnc[nH]2)C1 1327870670 1170254482 /nfs/dbraw/zinc/25/44/82/1170254482.db2.gz MYXOOUBWJZDBRN-VIFPVBQESA-N 1 2 194.282 1.283 10 0 ADAELO CC(C)[C@@H]1CC[N@H+](Cc2nnc[nH]2)C1 1327870669 1170256353 /nfs/dbraw/zinc/25/63/53/1170256353.db2.gz MYXOOUBWJZDBRN-SECBINFHSA-N 1 2 194.282 1.283 10 0 ADAELO CC(C)[C@@H]1CC[N@@H+](Cc2nnc[nH]2)C1 1327870669 1170256363 /nfs/dbraw/zinc/25/63/63/1170256363.db2.gz MYXOOUBWJZDBRN-SECBINFHSA-N 1 2 194.282 1.283 10 0 ADAELO C[C@H]1CC[C@@H](C)C[N@H+]1Cc1nnc[nH]1 1328397737 1170262363 /nfs/dbraw/zinc/26/23/63/1170262363.db2.gz BCYPGQAWAZLQSN-BDAKNGLRSA-N 1 2 194.282 1.425 10 0 ADAELO C[C@@H]1CC[C@@H](C)[N@H+](Cc2nnc[nH]2)C1 1328397740 1170262279 /nfs/dbraw/zinc/26/22/79/1170262279.db2.gz BCYPGQAWAZLQSN-RKDXNWHRSA-N 1 2 194.282 1.425 10 0 ADAELO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2nnc[nH]2)C1 1328397740 1170262285 /nfs/dbraw/zinc/26/22/85/1170262285.db2.gz BCYPGQAWAZLQSN-RKDXNWHRSA-N 1 2 194.282 1.425 10 0 ADAELO C[C@H]1CC[C@@H](C)C[N@@H+]1Cc1nnc[nH]1 1328397737 1170262370 /nfs/dbraw/zinc/26/23/70/1170262370.db2.gz BCYPGQAWAZLQSN-BDAKNGLRSA-N 1 2 194.282 1.425 10 0 ADAELO C[C@H]1CC[C@H](C)[N@H+](Cc2nnc[nH]2)C1 1328397739 1170262865 /nfs/dbraw/zinc/26/28/65/1170262865.db2.gz BCYPGQAWAZLQSN-IUCAKERBSA-N 1 2 194.282 1.425 10 0 ADAELO C[C@H]1CC[C@H](C)[N@@H+](Cc2nnc[nH]2)C1 1328397739 1170262868 /nfs/dbraw/zinc/26/28/68/1170262868.db2.gz BCYPGQAWAZLQSN-IUCAKERBSA-N 1 2 194.282 1.425 10 0 ADAELO C[C@H]1CC[C@@H](C)[N@H+](Cc2nnc[nH]2)C1 1328397738 1170263199 /nfs/dbraw/zinc/26/31/99/1170263199.db2.gz BCYPGQAWAZLQSN-DTWKUNHWSA-N 1 2 194.282 1.425 10 0 ADAELO C[C@H]1CC[C@@H](C)[N@@H+](Cc2nnc[nH]2)C1 1328397738 1170263208 /nfs/dbraw/zinc/26/32/08/1170263208.db2.gz BCYPGQAWAZLQSN-DTWKUNHWSA-N 1 2 194.282 1.425 10 0 ADAELO C[NH+](C)Cc1nnc([C@@H]2CC23CC3)o1 1330100325 1170277778 /nfs/dbraw/zinc/27/77/78/1170277778.db2.gz OJBBRQGYZILNPG-ZETCQYMHSA-N 1 2 193.250 1.399 10 0 ADAELO C[NH+](C)Cc1nnc([C@H]2CC23CC3)o1 1330100324 1170278134 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/nfs/dbraw/zinc/94/52/46/571945246.db2.gz IIIHDBRUBASCBY-MRVPVSSYSA-N 1 2 184.239 1.258 10 0 ADAELO COC[C@@H](C)[NH2+]N1CCCCC1 213946319 571945741 /nfs/dbraw/zinc/94/57/41/571945741.db2.gz OTHNQBQSCDOVCA-SECBINFHSA-N 1 2 172.272 1.012 10 0 ADAELO C[NH2+]CC(=O)OC[C@H]1CCC[C@H](C)C1 300806768 571945767 /nfs/dbraw/zinc/94/57/67/571945767.db2.gz XHQAQIRMPKEPBH-UWVGGRQHSA-N 1 2 199.294 1.575 10 0 ADAELO [NH3+][C@H](CCC1CCCC1)c1ncn[nH]1 300807220 571946113 /nfs/dbraw/zinc/94/61/13/571946113.db2.gz WRJUXSBWAAYDCS-SECBINFHSA-N 1 2 194.282 1.775 10 0 ADAELO CCN1CCC(=O)c2ccc(C)[nH+]c21 196408832 571946420 /nfs/dbraw/zinc/94/64/20/571946420.db2.gz JXGDITYRJQOFOH-UHFFFAOYSA-N 1 2 190.246 1.803 10 0 ADAELO CCC[N@@H+]1CC(=O)NC12CCCCC2 334860462 571946837 /nfs/dbraw/zinc/94/68/37/571946837.db2.gz DRGPQBACZRLFGH-UHFFFAOYSA-N 1 2 196.294 1.489 10 0 ADAELO CCC[N@H+]1CC(=O)NC12CCCCC2 334860462 571946838 /nfs/dbraw/zinc/94/68/38/571946838.db2.gz DRGPQBACZRLFGH-UHFFFAOYSA-N 1 2 196.294 1.489 10 0 ADAELO C[NH2+]CC(=O)OC[C@@H]1CCC[C@@H](C)C1 300806767 571947486 /nfs/dbraw/zinc/94/74/86/571947486.db2.gz XHQAQIRMPKEPBH-NXEZZACHSA-N 1 2 199.294 1.575 10 0 ADAELO O[C@@H](CCCC(F)F)c1[nH]cc[nH+]1 687907291 571947836 /nfs/dbraw/zinc/94/78/36/571947836.db2.gz RUZNHQLWRGBBTR-LURJTMIESA-N 1 2 190.193 1.879 10 0 ADAELO C[C@H]([NH2+]CCOCC1CC1)C(F)F 235518335 571948908 /nfs/dbraw/zinc/94/89/08/571948908.db2.gz GCFUIAKJHGKWIZ-ZETCQYMHSA-N 1 2 193.237 1.656 10 0 ADAELO Cc1ccc2c(c1)C(=O)CC[N+]2=O 687751630 571949562 /nfs/dbraw/zinc/94/95/62/571949562.db2.gz NYNFKTRWVZLACI-UHFFFAOYSA-N 1 2 175.187 1.794 10 0 ADAELO C[NH2+][C@H](Cc1ccco1)C(F)F 234468077 571952451 /nfs/dbraw/zinc/95/24/51/571952451.db2.gz KIYCOILIJSCCST-SSDOTTSWSA-N 1 2 175.178 1.675 10 0 ADAELO CC(C)CC[C@@H]1C[N@H+](C)CC1=O 76597569 571952883 /nfs/dbraw/zinc/95/28/83/571952883.db2.gz NOFNUCJKSCHKNO-SECBINFHSA-N 1 2 169.268 1.553 10 0 ADAELO CC(C)CC[C@@H]1C[N@@H+](C)CC1=O 76597569 571952886 /nfs/dbraw/zinc/95/28/86/571952886.db2.gz 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/nfs/dbraw/zinc/95/73/18/571957318.db2.gz BCKIXSHYQRXXFP-MRVPVSSYSA-N 1 2 196.250 1.537 10 0 ADAELO CCn1c[nH+]cc1[C@@H](O)[C@H](C)COC 687687378 571955245 /nfs/dbraw/zinc/95/52/45/571955245.db2.gz IQHLCUKVWILCNB-SCZZXKLOSA-N 1 2 198.266 1.219 10 0 ADAELO CCn1c[nH+]cc1[C@H](O)[C@@H](C)COC 687687379 571955577 /nfs/dbraw/zinc/95/55/77/571955577.db2.gz IQHLCUKVWILCNB-WCBMZHEXSA-N 1 2 198.266 1.219 10 0 ADAELO CCN(C)c1ccc(CO)c[nH+]1 40538633 571955760 /nfs/dbraw/zinc/95/57/60/571955760.db2.gz SYHDWBRBKYPCMH-UHFFFAOYSA-N 1 2 166.224 1.030 10 0 ADAELO Cc1[nH+]c[nH]c1CN1CCC=C(F)C1 687757884 571956856 /nfs/dbraw/zinc/95/68/56/571956856.db2.gz RPTZIEFQQMIARM-UHFFFAOYSA-N 1 2 195.241 1.777 10 0 ADAELO c1ccc(NC[C@]23COC[C@H]2C3)[nH+]c1 689245386 571957024 /nfs/dbraw/zinc/95/70/24/571957024.db2.gz YHPPVZFTTJWMKG-MWLCHTKSSA-N 1 2 190.246 1.530 10 0 ADAELO COCC[C@H](O)c1cc(C)[nH+]c(C)c1 687688987 571959777 /nfs/dbraw/zinc/95/97/77/571959777.db2.gz BKKUTUOQPFADFM-NSHDSACASA-N 1 2 195.262 1.768 10 0 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/nfs/dbraw/zinc/12/48/28/572124828.db2.gz KNVGJNRNLSKBJB-SVRRBLITSA-N 1 2 168.244 1.241 10 0 ADAELO CCC[C@@H](C)[C@H]([NH2+]C)c1c[nH]nn1 300344253 572124934 /nfs/dbraw/zinc/12/49/34/572124934.db2.gz PPXQIGUHRNVGFC-APPZFPTMSA-N 1 2 182.271 1.501 10 0 ADAELO CCC[C@@H](C)[C@H]([NH2+]C)c1cn[nH]n1 300344253 572124937 /nfs/dbraw/zinc/12/49/37/572124937.db2.gz PPXQIGUHRNVGFC-APPZFPTMSA-N 1 2 182.271 1.501 10 0 ADAELO COC(=O)[C@@H](CC(C)C)[NH2+]C1CC1 37459473 572125019 /nfs/dbraw/zinc/12/50/19/572125019.db2.gz WLYJNSBJAHOORC-SECBINFHSA-N 1 2 185.267 1.326 10 0 ADAELO CCC[C@@H](C)[C@H](NN)c1cn(C)c[nH+]1 300346829 572125109 /nfs/dbraw/zinc/12/51/09/572125109.db2.gz JGSZEZAGNDWZSO-SCZZXKLOSA-N 1 2 196.298 1.361 10 0 ADAELO CCC[C@H]([NH2+]C1CC1)C(=O)OC 37459482 572125303 /nfs/dbraw/zinc/12/53/03/572125303.db2.gz FSBLIYWDEFJBCW-QMMMGPOBSA-N 1 2 171.240 1.080 10 0 ADAELO COC(=O)[C@](C)([NH2+]C1CC1)C1CC1 37459411 572125631 /nfs/dbraw/zinc/12/56/31/572125631.db2.gz BFFJZYPJMGUWRS-SNVBAGLBSA-N 1 2 183.251 1.080 10 0 ADAELO CCCCC[C@H]([NH2+]C1CC1)C(=O)OC 37459435 572125864 /nfs/dbraw/zinc/12/58/64/572125864.db2.gz KAUWHFCKCPCXHQ-JTQLQIEISA-N 1 2 199.294 1.860 10 0 ADAELO CCC[C@@H](C)[C@H](NN)c1c[nH+]cn1C 300346449 572125876 /nfs/dbraw/zinc/12/58/76/572125876.db2.gz ICFOYHWLOXPGGL-SCZZXKLOSA-N 1 2 196.298 1.361 10 0 ADAELO [NH3+]C1OC(c2ccccn2)C(=O)C1=O 18067559 572126229 /nfs/dbraw/zinc/12/62/29/572126229.db2.gz VAXKMSAMXNMYBO-UHFFFAOYSA-N 1 2 192.174 1.335 10 0 ADAELO CCCC[C@H](NN)c1cn(C)c[nH+]1 300346579 572126294 /nfs/dbraw/zinc/12/62/94/572126294.db2.gz BFDGSCBLMDTUNP-QMMMGPOBSA-N 1 2 182.271 1.115 10 0 ADAELO COC(=[NH2+])CCc1cccnc1 71495780 572126315 /nfs/dbraw/zinc/12/63/15/572126315.db2.gz HFBIFAXLWYYYGA-UHFFFAOYSA-N 1 2 164.208 1.638 10 0 ADAELO COC(=O)[C@@](C)(CC(C)C)[NH2+]C1CC1 37459400 572126390 /nfs/dbraw/zinc/12/63/90/572126390.db2.gz UQBXPSRGMPBLDQ-LLVKDONJSA-N 1 2 199.294 1.716 10 0 ADAELO COC(=O)[C@H](CC(C)C)[NH2+]C1CC1 37459472 572126573 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1.860 10 0 ADAELO CCC[C@H](C)[C@H]([NH2+]N)[C@@H]1C[C@H]1C 300348767 572127687 /nfs/dbraw/zinc/12/76/87/572127687.db2.gz OYGRLZQEGVEGNU-JLIMGVALSA-N 1 2 170.300 1.911 10 0 ADAELO CCOC(=O)[C@](C)(CC)[NH2+]C1CC1 37459501 572127557 /nfs/dbraw/zinc/12/75/57/572127557.db2.gz WKUBDFAADBOPJE-JTQLQIEISA-N 1 2 185.267 1.470 10 0 ADAELO CCOC(=O)[C@](C)([NH2+]C1CC1)C1CC1 37459519 572127888 /nfs/dbraw/zinc/12/78/88/572127888.db2.gz RUUYACRQJZLBAG-LLVKDONJSA-N 1 2 197.278 1.470 10 0 ADAELO CCOC(=O)[C@@H](CC(C)C)[NH2+]C1CC1 37459535 572127914 /nfs/dbraw/zinc/12/79/14/572127914.db2.gz OQNBJLKGFSWUHH-SNVBAGLBSA-N 1 2 199.294 1.716 10 0 ADAELO CCOC(=O)C(C)(C)[NH2+]C1CC1 37459513 572127920 /nfs/dbraw/zinc/12/79/20/572127920.db2.gz SZDYAJMPOBZARB-UHFFFAOYSA-N 1 2 171.240 1.080 10 0 ADAELO CCCCC[C@H]([NH2+]C)C(=O)OCC 37458741 572128002 /nfs/dbraw/zinc/12/80/02/572128002.db2.gz XZCBMVSDLQASDP-VIFPVBQESA-N 1 2 187.283 1.718 10 0 ADAELO CCCCC[C@@H]([NH2+]C)C(=O)OC 37447946 572128218 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/nfs/dbraw/zinc/38/54/60/572385460.db2.gz AYDBBSOXCRFAPJ-DTWKUNHWSA-N 1 2 196.298 1.892 10 0 ADAELO CCC[C@@H]([NH2+]CC)c1ncn[nH]1 83746815 572385529 /nfs/dbraw/zinc/38/55/29/572385529.db2.gz DDVIQRZYZLMRNR-SSDOTTSWSA-N 1 2 168.244 1.255 10 0 ADAELO CC(C)CC[C@H]([NH3+])c1ncn[nH]1 83746144 572385584 /nfs/dbraw/zinc/38/55/84/572385584.db2.gz RECQWQBDIJOTBB-ZETCQYMHSA-N 1 2 168.244 1.241 10 0 ADAELO CC[NH2+][C@H](c1ccoc1)c1nnc[nH]1 83746807 572385603 /nfs/dbraw/zinc/38/56/03/572385603.db2.gz JEFITYHXZNALNL-MRVPVSSYSA-N 1 2 192.222 1.097 10 0 ADAELO CCC[NH2+][C@@H](CC1CC1)c1ncn[nH]1 83746918 572385613 /nfs/dbraw/zinc/38/56/13/572385613.db2.gz UGCMUWOETZMEMS-VIFPVBQESA-N 1 2 194.282 1.646 10 0 ADAELO CCC[C@@H](C)C[C@H]([NH3+])c1ncn[nH]1 83746323 572387204 /nfs/dbraw/zinc/38/72/04/572387204.db2.gz ZSGRMXNEUFTEHE-SFYZADRCSA-N 1 2 182.271 1.631 10 0 ADAELO [NH3+][C@@H](CCC(F)(F)F)c1ncn[nH]1 83746191 572385661 /nfs/dbraw/zinc/38/56/61/572385661.db2.gz YXAAHCVYQFBYPC-BYPYZUCNSA-N 1 2 194.160 1.147 10 0 ADAELO CC(C)CC[C@@H]([NH3+])c1ncn[nH]1 83746145 572385735 /nfs/dbraw/zinc/38/57/35/572385735.db2.gz RECQWQBDIJOTBB-SSDOTTSWSA-N 1 2 168.244 1.241 10 0 ADAELO CCC[NH2+][C@H](CC)c1ncn[nH]1 83746861 572385762 /nfs/dbraw/zinc/38/57/62/572385762.db2.gz HVNSVGVYQOSIJZ-SSDOTTSWSA-N 1 2 168.244 1.255 10 0 ADAELO CCC[NH2+][C@H](c1ncn[nH]1)C(C)(C)C 83746899 572385795 /nfs/dbraw/zinc/38/57/95/572385795.db2.gz QZWWIOTXMQWXNC-MRVPVSSYSA-N 1 2 196.298 1.892 10 0 ADAELO CCCCCC[C@H]1C=C(O)NC(=[NH2+])N1 238226132 572385807 /nfs/dbraw/zinc/38/58/07/572385807.db2.gz RYGCZPNVAPMMES-QMMMGPOBSA-N 1 2 197.282 1.160 10 0 ADAELO CC[NH2+][C@@H](C[C@@H](C)CC)c1ncn[nH]1 83746741 572385915 /nfs/dbraw/zinc/38/59/15/572385915.db2.gz AYDBBSOXCRFAPJ-IUCAKERBSA-N 1 2 196.298 1.892 10 0 ADAELO CCC[NH2+][C@H](c1ncn[nH]1)C1CC1 83746917 572385866 /nfs/dbraw/zinc/38/58/66/572385866.db2.gz KTMQIOMLKYDYLC-QMMMGPOBSA-N 1 2 180.255 1.255 10 0 ADAELO CCC[C@H](C)C[C@H]([NH2+]C)c1ncn[nH]1 83746605 572385925 /nfs/dbraw/zinc/38/59/25/572385925.db2.gz AUAXVVZPTPLSRK-IUCAKERBSA-N 1 2 196.298 1.892 10 0 ADAELO CCC[C@@H](C)C[C@@H]([NH2+]C)c1ncn[nH]1 83746606 572385944 /nfs/dbraw/zinc/38/59/44/572385944.db2.gz AUAXVVZPTPLSRK-RKDXNWHRSA-N 1 2 196.298 1.892 10 0 ADAELO CC[NH2+][C@H](CC1CC1)c1ncn[nH]1 83746813 572385984 /nfs/dbraw/zinc/38/59/84/572385984.db2.gz OLBNBIMJSMYVPA-MRVPVSSYSA-N 1 2 180.255 1.255 10 0 ADAELO CC[C@H](C)C[C@H]([NH3+])c1ncn[nH]1 83746181 572387216 /nfs/dbraw/zinc/38/72/16/572387216.db2.gz ISHLMRRIJAKRPX-BQBZGAKWSA-N 1 2 168.244 1.241 10 0 ADAELO C[NH2+][C@@H](CC1CCCC1)c1ncn[nH]1 83746489 572386034 /nfs/dbraw/zinc/38/60/34/572386034.db2.gz DFLWRKIJRUTBAX-VIFPVBQESA-N 1 2 194.282 1.646 10 0 ADAELO CC[NH2+][C@@H](c1ccoc1)c1nnc[nH]1 83746806 572386125 /nfs/dbraw/zinc/38/61/25/572386125.db2.gz JEFITYHXZNALNL-QMMMGPOBSA-N 1 2 192.222 1.097 10 0 ADAELO CCC[C@H](C)C[C@@H]([NH2+]C)c1ncn[nH]1 83746607 572386137 /nfs/dbraw/zinc/38/61/37/572386137.db2.gz AUAXVVZPTPLSRK-DTWKUNHWSA-N 1 2 196.298 1.892 10 0 ADAELO CCC[NH2+][C@H](CC(C)C)c1ncn[nH]1 83746879 572386159 /nfs/dbraw/zinc/38/61/59/572386159.db2.gz KOSSLGPSNBEZOO-SECBINFHSA-N 1 2 196.298 1.892 10 0 ADAELO C[NH2+][C@@H](CC(C)C)c1ncn[nH]1 83746511 572386189 /nfs/dbraw/zinc/38/61/89/572386189.db2.gz OECRNDPPHMMKHZ-ZETCQYMHSA-N 1 2 168.244 1.111 10 0 ADAELO CCCC[C@@H]([NH2+]CC)c1ncn[nH]1 83746697 572386208 /nfs/dbraw/zinc/38/62/08/572386208.db2.gz KWYUDTGSKXYJNA-MRVPVSSYSA-N 1 2 182.271 1.646 10 0 ADAELO CC[C@H](C)C[C@@H]([NH3+])c1ncn[nH]1 83746183 572386229 /nfs/dbraw/zinc/38/62/29/572386229.db2.gz ISHLMRRIJAKRPX-NKWVEPMBSA-N 1 2 168.244 1.241 10 0 ADAELO CC[NH2+][C@H](CC(C)C)c1ncn[nH]1 83746755 572386357 /nfs/dbraw/zinc/38/63/57/572386357.db2.gz DAZWGOCZNJFXRL-MRVPVSSYSA-N 1 2 182.271 1.501 10 0 ADAELO CCCCC[C@H]([NH2+]C)c1ncn[nH]1 83746439 572386503 /nfs/dbraw/zinc/38/65/03/572386503.db2.gz BERRSMQDMKOOEU-QMMMGPOBSA-N 1 2 182.271 1.646 10 0 ADAELO CCC[NH2+][C@@H](c1ncn[nH]1)C1CC1 83746916 572386514 /nfs/dbraw/zinc/38/65/14/572386514.db2.gz KTMQIOMLKYDYLC-MRVPVSSYSA-N 1 2 180.255 1.255 10 0 ADAELO CCC[NH2+][C@@H](CC(C)C)c1ncn[nH]1 83746878 572386528 /nfs/dbraw/zinc/38/65/28/572386528.db2.gz KOSSLGPSNBEZOO-VIFPVBQESA-N 1 2 196.298 1.892 10 0 ADAELO CC[C@H](C)C[C@H]([NH2+]C)c1ncn[nH]1 83746486 572386588 /nfs/dbraw/zinc/38/65/88/572386588.db2.gz PLSTZJYLTANWGA-YUMQZZPRSA-N 1 2 182.271 1.501 10 0 ADAELO CC[C@@H](C)C[C@H]([NH3+])c1ncn[nH]1 83746180 572386618 /nfs/dbraw/zinc/38/66/18/572386618.db2.gz ISHLMRRIJAKRPX-RQJHMYQMSA-N 1 2 168.244 1.241 10 0 ADAELO C[NH2+][C@@H](CCC(C)(C)C)c1ncn[nH]1 83746461 572386725 /nfs/dbraw/zinc/38/67/25/572386725.db2.gz YCNPIMVAYCLTBY-QMMMGPOBSA-N 1 2 196.298 1.892 10 0 ADAELO CCCCC[C@H]([NH3+])c1ncn[nH]1 83746130 572387190 /nfs/dbraw/zinc/38/71/90/572387190.db2.gz NUPHDFKACQTTAH-ZETCQYMHSA-N 1 2 168.244 1.385 10 0 ADAELO CC[NH2+][C@@H](c1ncn[nH]1)C1CCCC1 83746830 572386800 /nfs/dbraw/zinc/38/68/00/572386800.db2.gz NPKLOFRAFKWOCZ-SECBINFHSA-N 1 2 194.282 1.646 10 0 ADAELO C[NH2+][C@@H](CCC(C)C)c1ncn[nH]1 83746451 572386977 /nfs/dbraw/zinc/38/69/77/572386977.db2.gz NEOWTFFZXNUFSU-QMMMGPOBSA-N 1 2 182.271 1.501 10 0 ADAELO CC[NH2+][C@H](c1ncn[nH]1)C1CCCC1 83746831 572387054 /nfs/dbraw/zinc/38/70/54/572387054.db2.gz NPKLOFRAFKWOCZ-VIFPVBQESA-N 1 2 194.282 1.646 10 0 ADAELO CCCCCC[C@@H]([NH3+])c1ncn[nH]1 83746207 572387373 /nfs/dbraw/zinc/38/73/73/572387373.db2.gz PYQCOUQQNBKTMJ-MRVPVSSYSA-N 1 2 182.271 1.775 10 0 ADAELO C[NH2+][C@H](CCC(C)C)c1ncn[nH]1 83746452 572387392 /nfs/dbraw/zinc/38/73/92/572387392.db2.gz NEOWTFFZXNUFSU-MRVPVSSYSA-N 1 2 182.271 1.501 10 0 ADAELO CCCCCC[C@H]([NH3+])c1ncn[nH]1 83746206 572387457 /nfs/dbraw/zinc/38/74/57/572387457.db2.gz PYQCOUQQNBKTMJ-QMMMGPOBSA-N 1 2 182.271 1.775 10 0 ADAELO CCC[NH2+][C@H](CC1CC1)c1ncn[nH]1 83746919 572387485 /nfs/dbraw/zinc/38/74/85/572387485.db2.gz UGCMUWOETZMEMS-SECBINFHSA-N 1 2 194.282 1.646 10 0 ADAELO CCCC[C@@H]([NH2+]C)c1ncn[nH]1 83746438 572387610 /nfs/dbraw/zinc/38/76/10/572387610.db2.gz KACGZMSOPXOFKQ-SSDOTTSWSA-N 1 2 168.244 1.255 10 0 ADAELO CCCC[C@H]([NH2+]CC)c1ncn[nH]1 83746696 572387625 /nfs/dbraw/zinc/38/76/25/572387625.db2.gz KWYUDTGSKXYJNA-QMMMGPOBSA-N 1 2 182.271 1.646 10 0 ADAELO c1cc2n(c1)-c1n[nH+]ccc1NC2 76599092 572387652 /nfs/dbraw/zinc/38/76/52/572387652.db2.gz DUDZYVNQXNOMCY-UHFFFAOYSA-N 1 2 172.191 1.193 10 0 ADAELO COC[C@H](C)[NH2+]c1ccc(N)c(N)c1 234706435 572388384 /nfs/dbraw/zinc/38/83/84/572388384.db2.gz NOYIKAUOXDPCEM-ZETCQYMHSA-N 1 2 195.266 1.298 10 0 ADAELO CCOCSc1ccc(N)[nH+]c1 83756199 572390516 /nfs/dbraw/zinc/39/05/16/572390516.db2.gz UBVPIXLPOAZGOF-UHFFFAOYSA-N 1 2 184.264 1.750 10 0 ADAELO CCc1ccc(C[NH2+]C2COC2)o1 87194785 572391410 /nfs/dbraw/zinc/39/14/10/572391410.db2.gz VVWIJKPXGZAIBU-UHFFFAOYSA-N 1 2 181.235 1.330 10 0 ADAELO CCc1nc(C[NH2+]C2COC2)cs1 87195170 572391817 /nfs/dbraw/zinc/39/18/17/572391817.db2.gz NJUOMRDZBNPLMN-UHFFFAOYSA-N 1 2 198.291 1.194 10 0 ADAELO Cc1nc2c(c[nH+]1)c(C=O)cn2C 76600726 572392669 /nfs/dbraw/zinc/39/26/69/572392669.db2.gz GGXHQKDWWAGOFX-UHFFFAOYSA-N 1 2 175.191 1.089 10 0 ADAELO CCOCOc1ccc[nH+]c1N 83755858 572392797 /nfs/dbraw/zinc/39/27/97/572392797.db2.gz BQFXYGCAJPAMMH-UHFFFAOYSA-N 1 2 168.196 1.037 10 0 ADAELO Cc1[nH+]cnc2c1c(C=O)cn2C 76600722 572392852 /nfs/dbraw/zinc/39/28/52/572392852.db2.gz AGZZQIGPCFUHNV-UHFFFAOYSA-N 1 2 175.191 1.089 10 0 ADAELO Cn1cc(C=O)cc1-n1cc[nH+]c1 76600753 572393900 /nfs/dbraw/zinc/39/39/00/572393900.db2.gz ZUBULLXFMJXPDS-UHFFFAOYSA-N 1 2 175.191 1.023 10 0 ADAELO Cn1c(C=O)ccc1-n1cc[nH+]c1 76600750 572393969 /nfs/dbraw/zinc/39/39/69/572393969.db2.gz BJRZGVQVGXAAET-UHFFFAOYSA-N 1 2 175.191 1.023 10 0 ADAELO CC[NH2+][C@@H](c1ncn[nH]1)C(CC)CC 87170777 572394549 /nfs/dbraw/zinc/39/45/49/572394549.db2.gz ZVAHKQCHSFFIKY-SECBINFHSA-N 1 2 196.298 1.892 10 0 ADAELO CCC(CC)[C@@H]([NH2+]C)c1ncn[nH]1 87170774 572396317 /nfs/dbraw/zinc/39/63/17/572396317.db2.gz LOZVQGKCJCZHGJ-MRVPVSSYSA-N 1 2 182.271 1.501 10 0 ADAELO CC(C)C(C[NH2+]N(C)C)C(C)C 308008438 572396706 /nfs/dbraw/zinc/39/67/06/572396706.db2.gz NUZVXGAPJGJFEZ-UHFFFAOYSA-N 1 2 172.316 1.981 10 0 ADAELO Cc1[nH+]c2c(c(C=O)cn2C)n1C 76602016 572396853 /nfs/dbraw/zinc/39/68/53/572396853.db2.gz GQDWJONYPIMEPX-UHFFFAOYSA-N 1 2 177.207 1.033 10 0 ADAELO Cn1c[nH+]cc1-c1cc(N)cn1C 76601455 572397486 /nfs/dbraw/zinc/39/74/86/572397486.db2.gz VVJXCWPDTKKZNW-UHFFFAOYSA-N 1 2 176.223 1.008 10 0 ADAELO CCC(CC)[C@@H]([NH3+])c1ncn[nH]1 87170771 572397591 /nfs/dbraw/zinc/39/75/91/572397591.db2.gz KUVREUDBONOFHU-SSDOTTSWSA-N 1 2 168.244 1.241 10 0 ADAELO CCC(CC)C(=O)[C@@H]1C[N@H+](C)CCO1 87169416 572397686 /nfs/dbraw/zinc/39/76/86/572397686.db2.gz SGCGMBYNLCLZLI-JTQLQIEISA-N 1 2 199.294 1.322 10 0 ADAELO CCC(CC)C(=O)[C@@H]1C[N@@H+](C)CCO1 87169416 572397689 /nfs/dbraw/zinc/39/76/89/572397689.db2.gz SGCGMBYNLCLZLI-JTQLQIEISA-N 1 2 199.294 1.322 10 0 ADAELO CCCCNC(=O)N1CCC[N@H+](C)C1 238228966 572397991 /nfs/dbraw/zinc/39/79/91/572397991.db2.gz ORRROJUCVNNKAE-UHFFFAOYSA-N 1 2 199.298 1.091 10 0 ADAELO CCCCNC(=O)N1CCC[N@@H+](C)C1 238228966 572397995 /nfs/dbraw/zinc/39/79/95/572397995.db2.gz ORRROJUCVNNKAE-UHFFFAOYSA-N 1 2 199.298 1.091 10 0 ADAELO CCC(CC)C(=O)[C@H]1C[N@H+](C)CCO1 87169417 572398036 /nfs/dbraw/zinc/39/80/36/572398036.db2.gz SGCGMBYNLCLZLI-SNVBAGLBSA-N 1 2 199.294 1.322 10 0 ADAELO CCC(CC)C(=O)[C@H]1C[N@@H+](C)CCO1 87169417 572398038 /nfs/dbraw/zinc/39/80/38/572398038.db2.gz SGCGMBYNLCLZLI-SNVBAGLBSA-N 1 2 199.294 1.322 10 0 ADAELO O=C1CCC[NH2+][C@H]1Cc1ccco1 76603161 572399318 /nfs/dbraw/zinc/39/93/18/572399318.db2.gz ILDNZDLRVISSOC-VIFPVBQESA-N 1 2 179.219 1.143 10 0 ADAELO O=C1CCC[NH2+][C@@H]1Cc1ccco1 76603157 572401111 /nfs/dbraw/zinc/40/11/11/572401111.db2.gz ILDNZDLRVISSOC-SECBINFHSA-N 1 2 179.219 1.143 10 0 ADAELO C[C@H]1C[NH2+]c2ccc(O)cc2N1C 76602738 572403215 /nfs/dbraw/zinc/40/32/15/572403215.db2.gz LHTXMAWFEVOMCG-ZETCQYMHSA-N 1 2 178.235 1.642 10 0 ADAELO 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Nc1[nH+]cccc1OCOCC1CC1 236377945 572469848 /nfs/dbraw/zinc/46/98/48/572469848.db2.gz SAPNESLTIRVMEC-UHFFFAOYSA-N 1 2 194.234 1.427 10 0 ADAELO COCc1ccccc1C(=[NH2+])OC 83968954 572470005 /nfs/dbraw/zinc/47/00/05/572470005.db2.gz PIHFEBNSIZVVEG-UHFFFAOYSA-N 1 2 179.219 1.805 10 0 ADAELO CCCCc1[nH+]c[nH]c1COC 238260483 572474186 /nfs/dbraw/zinc/47/41/86/572474186.db2.gz KEZPFIYQOZOVRR-UHFFFAOYSA-N 1 2 168.240 1.899 10 0 ADAELO Cc1c[nH]c([C@@H](C)[NH+]2CC(O)C2)c1C 74246071 572474591 /nfs/dbraw/zinc/47/45/91/572474591.db2.gz QKZJJYBXQCWBTC-SECBINFHSA-N 1 2 194.278 1.369 10 0 ADAELO Cc1c[nH]c([C@H](C)[NH+]2CC(O)C2)c1C 74246072 572474815 /nfs/dbraw/zinc/47/48/15/572474815.db2.gz QKZJJYBXQCWBTC-VIFPVBQESA-N 1 2 194.278 1.369 10 0 ADAELO CCCNC(=O)c1ccc(C)[nH+]c1N 76904788 572476075 /nfs/dbraw/zinc/47/60/75/572476075.db2.gz IIBZLGRSQNTOJY-UHFFFAOYSA-N 1 2 193.250 1.112 10 0 ADAELO CNC(=O)c1ccc(C(C)C)[nH+]c1N 76904789 572477047 /nfs/dbraw/zinc/47/70/47/572477047.db2.gz SXNMBNSQOYZSRN-UHFFFAOYSA-N 1 2 193.250 1.147 10 0 ADAELO CCOC(=O)c1ccc(CC)[nH+]c1N 238262997 572478017 /nfs/dbraw/zinc/47/80/17/572478017.db2.gz OXLVQNPEOYXLKJ-UHFFFAOYSA-N 1 2 194.234 1.403 10 0 ADAELO CCOC(=O)Cc1[nH]cc(C2CC2)[nH+]1 238263247 572478329 /nfs/dbraw/zinc/47/83/29/572478329.db2.gz NOOSKEIOZZMALM-UHFFFAOYSA-N 1 2 194.234 1.393 10 0 ADAELO CCOC(=O)Cc1[nH]c[nH+]c1C(C)C 238262576 572478550 /nfs/dbraw/zinc/47/85/50/572478550.db2.gz INHUXHVJLNLIJS-UHFFFAOYSA-N 1 2 196.250 1.639 10 0 ADAELO C[NH2+]CCc1c(C(C)C)[nH]n(C)c1=O 250571955 572478966 /nfs/dbraw/zinc/47/89/66/572478966.db2.gz KHQPMTXXQNVONY-UHFFFAOYSA-N 1 2 197.282 1.011 10 0 ADAELO CCN(CC)c1nc(C)[nH+]c(NC)n1 84027183 572479212 /nfs/dbraw/zinc/47/92/12/572479212.db2.gz WXFOVTGMEBKZSH-UHFFFAOYSA-N 1 2 195.270 1.068 10 0 ADAELO CCN(CC)c1nc(NC)nc(C)[nH+]1 84027183 572479218 /nfs/dbraw/zinc/47/92/18/572479218.db2.gz WXFOVTGMEBKZSH-UHFFFAOYSA-N 1 2 195.270 1.068 10 0 ADAELO Cc1[nH]cc(-c2nc(C)sc2N)[nH+]1 74246278 572480358 /nfs/dbraw/zinc/48/03/58/572480358.db2.gz PLTZIOJAHVEOFQ-UHFFFAOYSA-N 1 2 194.263 1.732 10 0 ADAELO CO[C@@H](C)C[NH2+]c1ccc(N)c(N)c1 234751477 572480419 /nfs/dbraw/zinc/48/04/19/572480419.db2.gz KDWWKWNJTHGURO-ZETCQYMHSA-N 1 2 195.266 1.298 10 0 ADAELO COc1c[nH+]c(C)c(O)c1C 141471557 572480563 /nfs/dbraw/zinc/48/05/63/572480563.db2.gz HXBDHKNHXRYHLV-UHFFFAOYSA-N 1 2 153.181 1.413 10 0 ADAELO Cc1nc(-n2c[nH+]c(N)c2)sc1C 74246285 572482331 /nfs/dbraw/zinc/48/23/31/572482331.db2.gz SWKQBUCTGMAHCZ-UHFFFAOYSA-N 1 2 194.263 1.528 10 0 ADAELO C[NH2+]Cc1c(CC(C)C)[nH]n(C)c1=O 250572640 572483036 /nfs/dbraw/zinc/48/30/36/572483036.db2.gz QDTARDZHHYYLIW-UHFFFAOYSA-N 1 2 197.282 1.044 10 0 ADAELO CCOc1c[nH+]c(N)c(OCC)c1 238261522 572484529 /nfs/dbraw/zinc/48/45/29/572484529.db2.gz XTSIKHXRDSSRQJ-UHFFFAOYSA-N 1 2 182.223 1.461 10 0 ADAELO CC(C)C[C@@H]([NH3+])c1nc2c[nH]oc-2n1 74246478 572484716 /nfs/dbraw/zinc/48/47/16/572484716.db2.gz DFAGNDOWLJIEDL-ZCFIWIBFSA-N 1 2 194.238 1.597 10 0 ADAELO CCOCC(=O)c1cc(C)c[nH+]c1N 84062872 572485664 /nfs/dbraw/zinc/48/56/64/572485664.db2.gz ZSWYUYRFZHKQMT-UHFFFAOYSA-N 1 2 194.234 1.191 10 0 ADAELO CC[C@H](C)[C@H]([NH3+])c1nc2c[nH]oc-2n1 74246479 572486007 /nfs/dbraw/zinc/48/60/07/572486007.db2.gz DFVSTVLCLYDVFR-FSPLSTOPSA-N 1 2 194.238 1.597 10 0 ADAELO CCOc1cc(CO)[nH+]cc1CC 238265466 572486584 /nfs/dbraw/zinc/48/65/84/572486584.db2.gz OONDKKUDTZYJJF-UHFFFAOYSA-N 1 2 181.235 1.535 10 0 ADAELO CCOCC(=O)c1c(C)cc[nH+]c1N 84062981 572487838 /nfs/dbraw/zinc/48/78/38/572487838.db2.gz YJOGJNGUVWFZMR-UHFFFAOYSA-N 1 2 194.234 1.191 10 0 ADAELO CCC[C@@H]1CCC[C@@H](C(=O)OCC)[NH2+]1 238267697 572489201 /nfs/dbraw/zinc/48/92/01/572489201.db2.gz VGHUQUVXFHIZEX-ZJUUUORDSA-N 1 2 199.294 1.860 10 0 ADAELO C[NH2+]Cc1c(C(C)(C)C)[nH]n(C)c1=O 250600237 572489276 /nfs/dbraw/zinc/48/92/76/572489276.db2.gz YHNPLNJZWUESOZ-UHFFFAOYSA-N 1 2 197.282 1.143 10 0 ADAELO C=C/C(=C/C)[C@H]([NH2+]CC)C(=O)OCC 238266016 572490938 /nfs/dbraw/zinc/49/09/38/572490938.db2.gz JYKSEIDCIDBGOS-MBACFSSFSA-N 1 2 197.278 1.660 10 0 ADAELO C=C/C(=C/C)[C@H]([NH2+]CC)C(=O)OC 238265971 572491069 /nfs/dbraw/zinc/49/10/69/572491069.db2.gz BNGJPMHEEZOZSS-XZLDQRQTSA-N 1 2 183.251 1.270 10 0 ADAELO CCCOc1cc[nH+]c(CCO)c1 238265943 572492735 /nfs/dbraw/zinc/49/27/35/572492735.db2.gz JRMHGRVFQXJGCD-UHFFFAOYSA-N 1 2 181.235 1.405 10 0 ADAELO CCOc1cc(N)[nH+]c(OCC)c1 238268893 572493196 /nfs/dbraw/zinc/49/31/96/572493196.db2.gz ZHRLKGOURRYMHH-UHFFFAOYSA-N 1 2 182.223 1.461 10 0 ADAELO CC(C)OC(=O)C[NH2+][C@H]1CC=CCC1 84067661 572493477 /nfs/dbraw/zinc/49/34/77/572493477.db2.gz OYXBFBFQXQFOCI-JTQLQIEISA-N 1 2 197.278 1.636 10 0 ADAELO CCCCc1nnc([C@H]([NH3+])COC)o1 238269000 572493927 /nfs/dbraw/zinc/49/39/27/572493927.db2.gz FLHMNIQOSHVCOW-SSDOTTSWSA-N 1 2 199.254 1.058 10 0 ADAELO CC(C)COC(=O)NCc1c[nH+]c[nH]1 84081855 572493940 /nfs/dbraw/zinc/49/39/40/572493940.db2.gz YUEQFWKQSLDFGO-UHFFFAOYSA-N 1 2 197.238 1.292 10 0 ADAELO CC(C)COC(=O)NCc1c[nH]c[nH+]1 84081855 572493942 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CC(C)[C@@H](C)OC(=O)[C@@H]1CCCC[NH2+]1 87467751 572496604 /nfs/dbraw/zinc/49/66/04/572496604.db2.gz WJWPAQCPYWPNRH-ZJUUUORDSA-N 1 2 199.294 1.716 10 0 ADAELO COCCOc1ccn2cc[nH+]c2c1 114471866 572496936 /nfs/dbraw/zinc/49/69/36/572496936.db2.gz KDBADDXDBJFAAO-UHFFFAOYSA-N 1 2 192.218 1.360 10 0 ADAELO Nc1[nH+]cn2c3c(sc12)CCCC3 74247785 572498431 /nfs/dbraw/zinc/49/84/31/572498431.db2.gz SQTJSHBWNHDBRL-UHFFFAOYSA-N 1 2 193.275 1.857 10 0 ADAELO CC(C)[C@@H](C)OC(=O)[C@H]1CCCC[NH2+]1 87468165 572498452 /nfs/dbraw/zinc/49/84/52/572498452.db2.gz WJWPAQCPYWPNRH-NXEZZACHSA-N 1 2 199.294 1.716 10 0 ADAELO CC(C)[C@H](C)OC(=O)[C@H]1CCCC[NH2+]1 87468166 572498463 /nfs/dbraw/zinc/49/84/63/572498463.db2.gz WJWPAQCPYWPNRH-VHSXEESVSA-N 1 2 199.294 1.716 10 0 ADAELO C[C@@H](c1[nH]cc[nH+]1)N1CCC(=O)CC1 74247887 572498486 /nfs/dbraw/zinc/49/84/86/572498486.db2.gz ISEKSPNZSVRSDJ-QMMMGPOBSA-N 1 2 193.250 1.136 10 0 ADAELO C[C@H](c1[nH]cc[nH+]1)N1CCC(=O)CC1 74247888 572498588 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199.294 1.716 10 0 ADAELO CC(C)[C@H](C)OC(=O)C[NH2+]C1CC1 87467965 572499699 /nfs/dbraw/zinc/49/96/99/572499699.db2.gz WCAPMUYOMQMHML-QMMMGPOBSA-N 1 2 185.267 1.326 10 0 ADAELO CC(C)[C@@H](C)OC(=O)C[NH2+]CC1CC1 87467962 572500169 /nfs/dbraw/zinc/50/01/69/572500169.db2.gz PEDDZIWHDGPEQZ-SECBINFHSA-N 1 2 199.294 1.574 10 0 ADAELO CCC[NH2+]CC(=O)O[C@@H](C)C(C)C 87468179 572500246 /nfs/dbraw/zinc/50/02/46/572500246.db2.gz IFXWGIMTZMIAFX-VIFPVBQESA-N 1 2 187.283 1.574 10 0 ADAELO CCC[NH2+]CC(=O)O[C@H](C)C(C)C 87468180 572500255 /nfs/dbraw/zinc/50/02/55/572500255.db2.gz IFXWGIMTZMIAFX-SECBINFHSA-N 1 2 187.283 1.574 10 0 ADAELO CC(C)[NH2+]CC(=O)O[C@H](C)C(C)C 87467821 572500388 /nfs/dbraw/zinc/50/03/88/572500388.db2.gz RHFOUKUZHMWUDB-SECBINFHSA-N 1 2 187.283 1.572 10 0 ADAELO c1ncc(-c2ccn3cc[nH+]c3c2)cn1 114473952 572500510 /nfs/dbraw/zinc/50/05/10/572500510.db2.gz FGQCJTYJXNHUPG-UHFFFAOYSA-N 1 2 196.213 1.791 10 0 ADAELO C[NH2+][C@H](C)C(=O)O[C@@H](C)C(C)C 87468112 572500605 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1.007 10 0 ADAELO CC[C@@H]([NH2+]C)C(=O)O[C@@H](C)C(C)C 87467951 572501191 /nfs/dbraw/zinc/50/11/91/572501191.db2.gz UUIOUBRZNURKKI-DTWKUNHWSA-N 1 2 187.283 1.572 10 0 ADAELO CCCN1C(=O)[C@@H](C)[NH2+][C@@H]1C(C)C 139511289 572501208 /nfs/dbraw/zinc/50/12/08/572501208.db2.gz FRSHNRSVALJHMC-BDAKNGLRSA-N 1 2 184.283 1.199 10 0 ADAELO CCCN1C(=O)[C@H](C)[NH2+][C@H]1C(C)C 139511411 572501292 /nfs/dbraw/zinc/50/12/92/572501292.db2.gz FRSHNRSVALJHMC-DTWKUNHWSA-N 1 2 184.283 1.199 10 0 ADAELO CCCN1C(=O)[C@H](C)[NH2+][C@@H]1C(C)C 139511564 572501323 /nfs/dbraw/zinc/50/13/23/572501323.db2.gz FRSHNRSVALJHMC-IUCAKERBSA-N 1 2 184.283 1.199 10 0 ADAELO O[C@H](C[C@H]1CCCOC1)c1[nH]cc[nH+]1 689653806 572501476 /nfs/dbraw/zinc/50/14/76/572501476.db2.gz NRLNUFOSLNPKFL-RKDXNWHRSA-N 1 2 196.250 1.260 10 0 ADAELO CC[C@@H]([NH2+]C)C(=O)O[C@H](C)C(C)C 87467953 572501437 /nfs/dbraw/zinc/50/14/37/572501437.db2.gz UUIOUBRZNURKKI-RKDXNWHRSA-N 1 2 187.283 1.572 10 0 ADAELO C[C@@H](c1cn[nH]c1)[NH+]1CCC(=O)CC1 74247889 572501585 /nfs/dbraw/zinc/50/15/85/572501585.db2.gz IUUYUCSSASUGCC-QMMMGPOBSA-N 1 2 193.250 1.136 10 0 ADAELO O[C@@H](C[C@H]1CCCOC1)c1[nH]cc[nH+]1 689653794 572501697 /nfs/dbraw/zinc/50/16/97/572501697.db2.gz NRLNUFOSLNPKFL-BDAKNGLRSA-N 1 2 196.250 1.260 10 0 ADAELO CC(=O)[C@H](C)SCc1[nH]cc[nH+]1 308042456 572501854 /nfs/dbraw/zinc/50/18/54/572501854.db2.gz NYAMUDDFZHITHP-ZETCQYMHSA-N 1 2 184.264 1.620 10 0 ADAELO O[C@@H](C[C@@H]1CCCOC1)c1[nH]cc[nH+]1 689653803 572501875 /nfs/dbraw/zinc/50/18/75/572501875.db2.gz NRLNUFOSLNPKFL-IUCAKERBSA-N 1 2 196.250 1.260 10 0 ADAELO CC(C)[C@H](C)Oc1cc[nH+]c(CO)c1 87469718 572501964 /nfs/dbraw/zinc/50/19/64/572501964.db2.gz GEGUBJNOCBLJPW-VIFPVBQESA-N 1 2 195.262 1.997 10 0 ADAELO CN(C)c1cc2c(cc1O)NCC[NH2+]2 74247942 572502912 /nfs/dbraw/zinc/50/29/12/572502912.db2.gz QDRYUSHLXPWXMT-UHFFFAOYSA-N 1 2 193.250 1.296 10 0 ADAELO Cc1cc(C(=O)[C@H]([NH3+])CC2CC2)n[nH]1 74247964 572503159 /nfs/dbraw/zinc/50/31/59/572503159.db2.gz PQRITCCKEVLJAA-MRVPVSSYSA-N 1 2 193.250 1.028 10 0 ADAELO C[C@H](c1ccc(O)cc1)[NH+]1CC(O)C1 74248138 572503367 /nfs/dbraw/zinc/50/33/67/572503367.db2.gz MCVOQUHENKRFGP-MRVPVSSYSA-N 1 2 193.246 1.130 10 0 ADAELO O[C@H](C[C@@H]1CCCOC1)c1[nH]cc[nH+]1 689653795 572503505 /nfs/dbraw/zinc/50/35/05/572503505.db2.gz NRLNUFOSLNPKFL-DTWKUNHWSA-N 1 2 196.250 1.260 10 0 ADAELO CC(C)[C@@H](C)Oc1cc[nH+]c(CO)c1 87469717 572503661 /nfs/dbraw/zinc/50/36/61/572503661.db2.gz GEGUBJNOCBLJPW-SECBINFHSA-N 1 2 195.262 1.997 10 0 ADAELO [NH3+]C1C(C2CCC2)=NC(=O)N1C1CC1 74248029 572504490 /nfs/dbraw/zinc/50/44/90/572504490.db2.gz WZXCSYMNXGFXTD-UHFFFAOYSA-N 1 2 193.250 1.773 10 0 ADAELO Cc1cc(C(=O)[C@@H]([NH3+])CC2CC2)n[nH]1 74247965 572504570 /nfs/dbraw/zinc/50/45/70/572504570.db2.gz PQRITCCKEVLJAA-QMMMGPOBSA-N 1 2 193.250 1.028 10 0 ADAELO C[NH2+][C@@H](CC1CCCCC1)C(=O)OC 87473636 572505272 /nfs/dbraw/zinc/50/52/72/572505272.db2.gz FANVDCVHINQUFE-JTQLQIEISA-N 1 2 199.294 1.718 10 0 ADAELO COC(=O)[C@H]([NH2+]C1(C)CC1)C1CC1 234548831 572506048 /nfs/dbraw/zinc/50/60/48/572506048.db2.gz VQXKEKMKSRJTMS-MRVPVSSYSA-N 1 2 183.251 1.080 10 0 ADAELO COC(=O)C1([NH2+]C2CCCCC2)CC1 234547638 572506594 /nfs/dbraw/zinc/50/65/94/572506594.db2.gz UMAQUSDQAPXWBH-UHFFFAOYSA-N 1 2 197.278 1.614 10 0 ADAELO COC(=O)C1([NH2+]C2CC2)CC(C)C1 234547201 572506682 /nfs/dbraw/zinc/50/66/82/572506682.db2.gz MDRYEEDPMCLVFV-UHFFFAOYSA-N 1 2 183.251 1.080 10 0 ADAELO Cc1c(C=O)ccc(O)c1C[NH+](C)C 74248292 572507115 /nfs/dbraw/zinc/50/71/15/572507115.db2.gz ZSOKMKANCFWNKA-UHFFFAOYSA-N 1 2 193.246 1.575 10 0 ADAELO FC(F)(F)OCCn1cc[nH+]c1 84178711 572507133 /nfs/dbraw/zinc/50/71/33/572507133.db2.gz AKOPPDOZYZTVFL-UHFFFAOYSA-N 1 2 180.129 1.420 10 0 ADAELO C[NH2+][C@H](CC1CCCCC1)C(=O)OC 87473637 572507332 /nfs/dbraw/zinc/50/73/32/572507332.db2.gz FANVDCVHINQUFE-SNVBAGLBSA-N 1 2 199.294 1.718 10 0 ADAELO CCCCn1cc(CO)[nH+]c1C 238276399 572507561 /nfs/dbraw/zinc/50/75/61/572507561.db2.gz ZSHRIKUFVPSQHB-UHFFFAOYSA-N 1 2 168.240 1.484 10 0 ADAELO CC(C)CCOCC[NH2+]CC(F)F 45106924 572508109 /nfs/dbraw/zinc/50/81/09/572508109.db2.gz ORRYPZJORRXKMH-UHFFFAOYSA-N 1 2 195.253 1.904 10 0 ADAELO CCOC(=[NH2+])[C@@H](O)Cc1ccccc1 238278662 572508725 /nfs/dbraw/zinc/50/87/25/572508725.db2.gz WUZWFIBFOFHNMU-JTQLQIEISA-N 1 2 193.246 1.604 10 0 ADAELO CCc1nc(N)c(COC)c(CC)[nH+]1 238278683 572509658 /nfs/dbraw/zinc/50/96/58/572509658.db2.gz GJPNWKOIRDDWMY-UHFFFAOYSA-N 1 2 195.266 1.330 10 0 ADAELO CCOC(=O)N[C@@H](C)Cc1c[nH+]c[nH]1 238278802 572510363 /nfs/dbraw/zinc/51/03/63/572510363.db2.gz IRNYTOCZDYMSMV-ZETCQYMHSA-N 1 2 197.238 1.087 10 0 ADAELO CCOC(=O)N[C@@H](C)Cc1c[nH]c[nH+]1 238278802 572510366 /nfs/dbraw/zinc/51/03/66/572510366.db2.gz IRNYTOCZDYMSMV-ZETCQYMHSA-N 1 2 197.238 1.087 10 0 ADAELO CC[C@@H](C)C(=O)Nc1cc[nH+]cc1N 62725711 572510404 /nfs/dbraw/zinc/51/04/04/572510404.db2.gz UAYUJLVNKDPUGD-SSDOTTSWSA-N 1 2 193.250 1.648 10 0 ADAELO CCOC(=[NH2+])[C@H](O)Cc1ccccc1 238279072 572510507 /nfs/dbraw/zinc/51/05/07/572510507.db2.gz WUZWFIBFOFHNMU-SNVBAGLBSA-N 1 2 193.246 1.604 10 0 ADAELO CC[C@H](C)C(=O)Nc1cc[nH+]cc1N 62725712 572511457 /nfs/dbraw/zinc/51/14/57/572511457.db2.gz UAYUJLVNKDPUGD-ZETCQYMHSA-N 1 2 193.250 1.648 10 0 ADAELO [NH3+][C@H](c1ccccc1)c1ncns1 74272172 572511759 /nfs/dbraw/zinc/51/17/59/572511759.db2.gz QLEQIIRYJNQDLA-MRVPVSSYSA-N 1 2 191.259 1.586 10 0 ADAELO [NH3+][C@@H](c1ccccc1)c1ncns1 74272171 572512212 /nfs/dbraw/zinc/51/22/12/572512212.db2.gz QLEQIIRYJNQDLA-QMMMGPOBSA-N 1 2 191.259 1.586 10 0 ADAELO CCOC(=[NH2+])c1ccc(C=O)c(O)c1 238279634 572512295 /nfs/dbraw/zinc/51/22/95/572512295.db2.gz AFDGQDWQVKZFLA-UHFFFAOYSA-N 1 2 193.202 1.567 10 0 ADAELO CCOC(=[NH2+])c1ccc(O)c(C=O)c1 238279856 572512924 /nfs/dbraw/zinc/51/29/24/572512924.db2.gz WAIAUDBOEDCRKZ-UHFFFAOYSA-N 1 2 193.202 1.567 10 0 ADAELO OCc1c[nH+]c(N2CCCCCC2)[nH]1 62820558 572513229 /nfs/dbraw/zinc/51/32/29/572513229.db2.gz BRGQLAZWIIRLCQ-UHFFFAOYSA-N 1 2 195.266 1.282 10 0 ADAELO OCc1c[nH]c(N2CCCCCC2)[nH+]1 62820558 572513238 /nfs/dbraw/zinc/51/32/38/572513238.db2.gz BRGQLAZWIIRLCQ-UHFFFAOYSA-N 1 2 195.266 1.282 10 0 ADAELO OCc1c[nH]c(Cc2cccs2)[nH+]1 62820499 572513300 /nfs/dbraw/zinc/51/33/00/572513300.db2.gz VBSXBTMBTSCAPO-UHFFFAOYSA-N 1 2 194.259 1.554 10 0 ADAELO OCc1c[nH+]c(Cc2cccs2)[nH]1 62820499 572513303 /nfs/dbraw/zinc/51/33/03/572513303.db2.gz VBSXBTMBTSCAPO-UHFFFAOYSA-N 1 2 194.259 1.554 10 0 ADAELO Cc1nc(N)c2c([nH+]1)CCC(C)(C)C2 74271602 572513655 /nfs/dbraw/zinc/51/36/55/572513655.db2.gz UGNLDNMZSBQDJA-UHFFFAOYSA-N 1 2 191.278 1.882 10 0 ADAELO CCOC(=[NH2+])c1ccc(C(N)=O)cc1 238279579 572514888 /nfs/dbraw/zinc/51/48/88/572514888.db2.gz LPSPTXQSMPDEBH-UHFFFAOYSA-N 1 2 192.218 1.147 10 0 ADAELO Cc1[nH+]c(Cc2cccnc2)ccc1N 235954381 572517686 /nfs/dbraw/zinc/51/76/86/572517686.db2.gz NSVMYTKOZQQMKJ-UHFFFAOYSA-N 1 2 199.257 1.958 10 0 ADAELO C[C@H](c1ccc[nH]1)[NH+]1CCC(=O)CC1 74268880 572518980 /nfs/dbraw/zinc/51/89/80/572518980.db2.gz QVJBYNBPKUOCCR-SECBINFHSA-N 1 2 192.262 1.741 10 0 ADAELO C[C@@H](c1ccc[nH]1)[NH+]1CCC(=O)CC1 74268878 572519035 /nfs/dbraw/zinc/51/90/35/572519035.db2.gz QVJBYNBPKUOCCR-VIFPVBQESA-N 1 2 192.262 1.741 10 0 ADAELO Cc1[nH+]c(Cc2ccncc2)ccc1N 235954655 572519982 /nfs/dbraw/zinc/51/99/82/572519982.db2.gz CKZHRXFRHPHOKV-UHFFFAOYSA-N 1 2 199.257 1.958 10 0 ADAELO C=C/C(=C/C)[C@@H]([NH2+]CC)C(=O)OCC 238284457 572520151 /nfs/dbraw/zinc/52/01/51/572520151.db2.gz JYKSEIDCIDBGOS-ABRRARGCSA-N 1 2 197.278 1.660 10 0 ADAELO CCc1[nH+]c2cc(CO)ccc2n1C 45238282 572520721 /nfs/dbraw/zinc/52/07/21/572520721.db2.gz KITWFHXWIXRWIW-UHFFFAOYSA-N 1 2 190.246 1.628 10 0 ADAELO C[C@@H](c1cnn[nH]1)[C@@H]([NH3+])c1ccco1 74269701 572520735 /nfs/dbraw/zinc/52/07/35/572520735.db2.gz WXWVQRIXESDNQH-IMTBSYHQSA-N 1 2 192.222 1.201 10 0 ADAELO c1cc2cnncn3c[nH+]c(c1)c23 45238405 572520761 /nfs/dbraw/zinc/52/07/61/572520761.db2.gz KIGATMFIFBWPJI-UHFFFAOYSA-N 1 2 170.175 1.278 10 0 ADAELO c1ccc2c(c1)[nH+]c1n2CC1 45238593 572520772 /nfs/dbraw/zinc/52/07/72/572520772.db2.gz GBVDGYQXXFICNE-UHFFFAOYSA-N 1 2 144.177 1.592 10 0 ADAELO C[C@H](c1cnn[nH]1)[C@@H]([NH3+])c1ccco1 74269703 572521134 /nfs/dbraw/zinc/52/11/34/572521134.db2.gz WXWVQRIXESDNQH-HZGVNTEJSA-N 1 2 192.222 1.201 10 0 ADAELO Cc1nc(-n2cc(N)[nH+]c2C)oc1C 74269882 572521341 /nfs/dbraw/zinc/52/13/41/572521341.db2.gz JZNNPOWUCMSOIP-UHFFFAOYSA-N 1 2 192.222 1.368 10 0 ADAELO Cc1cnc(C[NH2+]Cc2cc[nH]c2)o1 235954896 572521365 /nfs/dbraw/zinc/52/13/65/572521365.db2.gz IGXJXUNLYFQDNW-UHFFFAOYSA-N 1 2 191.234 1.601 10 0 ADAELO Cc1[nH]c2cccc(N(C)C)c2[nH+]1 45238378 572521502 /nfs/dbraw/zinc/52/15/02/572521502.db2.gz VDHVKAZCXRSEBC-UHFFFAOYSA-N 1 2 175.235 1.937 10 0 ADAELO Cc1cc2[nH+]c(N)[nH]c2c(O)c1C 45238418 572521793 /nfs/dbraw/zinc/52/17/93/572521793.db2.gz NFTDCJGYMWJFOA-UHFFFAOYSA-N 1 2 177.207 1.468 10 0 ADAELO C[C@@H](c1cnn[nH]1)[C@H]([NH3+])c1ccco1 74269697 572522325 /nfs/dbraw/zinc/52/23/25/572522325.db2.gz WXWVQRIXESDNQH-RCOVLWMOSA-N 1 2 192.222 1.201 10 0 ADAELO Cc1c(N)cc(F)c2[nH]c[nH+]c12 45238553 572523177 /nfs/dbraw/zinc/52/31/77/572523177.db2.gz NNPJCSBRHALTNE-UHFFFAOYSA-N 1 2 165.171 1.593 10 0 ADAELO CC(C)([NH3+])c1cc(-c2cnco2)[nH]n1 74269937 572523194 /nfs/dbraw/zinc/52/31/94/572523194.db2.gz OZCACYWCRNNGTQ-UHFFFAOYSA-N 1 2 192.222 1.259 10 0 ADAELO CCc1nc2sccc2c(NN)[nH+]1 45235357 572523412 /nfs/dbraw/zinc/52/34/12/572523412.db2.gz CCGAKZIGKXHOCZ-UHFFFAOYSA-N 1 2 194.263 1.539 10 0 ADAELO Cc1ccncc1[C@@H]([NH3+])c1ncco1 74276206 572524872 /nfs/dbraw/zinc/52/48/72/572524872.db2.gz IZFFWZKPUDYMSN-SECBINFHSA-N 1 2 189.218 1.426 10 0 ADAELO Cc1nc(C)c(-c2ccc[nH+]c2N)o1 74276068 572525350 /nfs/dbraw/zinc/52/53/50/572525350.db2.gz PCNHBXNGVAEOKQ-UHFFFAOYSA-N 1 2 189.218 1.936 10 0 ADAELO Cc1cc(N)nc(Cc2ccco2)[nH+]1 74276245 572525443 /nfs/dbraw/zinc/52/54/43/572525443.db2.gz DEYPCXHSAXJBKM-UHFFFAOYSA-N 1 2 189.218 1.551 10 0 ADAELO Cc1cnc(C[NH2+]Cc2ccc[nH]2)o1 235956569 572526047 /nfs/dbraw/zinc/52/60/47/572526047.db2.gz ACUPCCQTKWQECR-UHFFFAOYSA-N 1 2 191.234 1.601 10 0 ADAELO Cc1nc(N)cc(Cc2ccco2)[nH+]1 74276075 572526143 /nfs/dbraw/zinc/52/61/43/572526143.db2.gz NAGBQUDEGXVNOQ-UHFFFAOYSA-N 1 2 189.218 1.551 10 0 ADAELO Cc1[nH]c(C)c(-c2ccc(C=O)[nH]2)[nH+]1 74276191 572526610 /nfs/dbraw/zinc/52/66/10/572526610.db2.gz YVHKXEBYDXEHGO-UHFFFAOYSA-N 1 2 189.218 1.834 10 0 ADAELO O=Cc1cn2c3c([nH+]c2[nH]1)CCCC3 74276224 572527586 /nfs/dbraw/zinc/52/75/86/572527586.db2.gz UYUJSOBVZVVHHO-UHFFFAOYSA-N 1 2 189.218 1.354 10 0 ADAELO O=Cc1cn2c3c([nH]c2[nH+]1)CCCC3 74276224 572527590 /nfs/dbraw/zinc/52/75/90/572527590.db2.gz UYUJSOBVZVVHHO-UHFFFAOYSA-N 1 2 189.218 1.354 10 0 ADAELO Cc1ccncc1[C@H]([NH3+])c1ncco1 74276204 572527708 /nfs/dbraw/zinc/52/77/08/572527708.db2.gz IZFFWZKPUDYMSN-VIFPVBQESA-N 1 2 189.218 1.426 10 0 ADAELO CCN1CCN(C)c2cc([NH3+])ccc21 76979003 572528629 /nfs/dbraw/zinc/52/86/29/572528629.db2.gz DREMNAJUJXHHRO-UHFFFAOYSA-N 1 2 191.278 1.545 10 0 ADAELO CC(=O)N1C[C@H](C)Nc2[nH+]cccc21 74272626 572530962 /nfs/dbraw/zinc/53/09/62/572530962.db2.gz TVVNBXIWDCGHQF-ZETCQYMHSA-N 1 2 191.234 1.249 10 0 ADAELO CC1=NN(CC[C@@H]2CCC[NH2+]2)C(=O)C1 250881844 572531456 /nfs/dbraw/zinc/53/14/56/572531456.db2.gz VCXNHEVBDFXOIJ-VIFPVBQESA-N 1 2 195.266 1.039 10 0 ADAELO CC1=NN(CC[C@H]2CCC[NH2+]2)C(=O)C1 250881840 572531792 /nfs/dbraw/zinc/53/17/92/572531792.db2.gz VCXNHEVBDFXOIJ-SECBINFHSA-N 1 2 195.266 1.039 10 0 ADAELO COc1cc(N)c[nH+]c1NC(C)(C)C 76982581 572533888 /nfs/dbraw/zinc/53/38/88/572533888.db2.gz ABYSPWOCAQWBHF-UHFFFAOYSA-N 1 2 195.266 1.883 10 0 ADAELO CCCCNc1[nH+]cc(N)cc1OC 76982584 572533940 /nfs/dbraw/zinc/53/39/40/572533940.db2.gz FKMDBKJWKQIMLO-UHFFFAOYSA-N 1 2 195.266 1.884 10 0 ADAELO [NH3+]N1CCCC[C@H]1Cc1ccccc1 74273883 572534209 /nfs/dbraw/zinc/53/42/09/572534209.db2.gz TVWNXQJMXAODBE-LBPRGKRZSA-N 1 2 190.290 1.957 10 0 ADAELO CCN(CC)c1[nH+]cc(N)cc1OC 76982396 572535151 /nfs/dbraw/zinc/53/51/51/572535151.db2.gz YDPBOJWKNOEMRG-UHFFFAOYSA-N 1 2 195.266 1.519 10 0 ADAELO c1cc2c(cc1-n1cnnc1)CC[NH2+]2 63188172 572535883 /nfs/dbraw/zinc/53/58/83/572535883.db2.gz YMTRLOQWPYMQPA-UHFFFAOYSA-N 1 2 186.218 1.235 10 0 ADAELO Cc1cc(-c2c[nH+]ncc2N)[nH]c1C 74277145 572536358 /nfs/dbraw/zinc/53/63/58/572536358.db2.gz YVZRSPUFCWOCCP-UHFFFAOYSA-N 1 2 188.234 1.671 10 0 ADAELO CCOCc1c[nH+]c(CC)nc1N 238296610 572537022 /nfs/dbraw/zinc/53/70/22/572537022.db2.gz WTEJTIIJTUYQQG-UHFFFAOYSA-N 1 2 181.239 1.158 10 0 in-vitro ADAELO Cc1cc(C)c(-c2c[nH+]ncc2N)[nH]1 74277140 572537970 /nfs/dbraw/zinc/53/79/70/572537970.db2.gz QCELANXKRCIWSL-UHFFFAOYSA-N 1 2 188.234 1.671 10 0 ADAELO Cc1ccn(C)c1-c1c[nH+]ncc1N 74277150 572539879 /nfs/dbraw/zinc/53/98/79/572539879.db2.gz GSDXNZWHVDLKGA-UHFFFAOYSA-N 1 2 188.234 1.373 10 0 ADAELO Cc1cc(-c2ccc(N)[nH+]c2)nn1C 74277610 572540658 /nfs/dbraw/zinc/54/06/58/572540658.db2.gz SDEJHYLNZLOILK-UHFFFAOYSA-N 1 2 188.234 1.373 10 0 ADAELO CCCC1(O)C[NH+](Cc2ccco2)C1 84374841 572541455 /nfs/dbraw/zinc/54/14/55/572541455.db2.gz SVNRPEHNDFMRDD-UHFFFAOYSA-N 1 2 195.262 1.626 10 0 ADAELO Cc1csc(C[NH2+][C@@H](C)CF)n1 308057984 572542340 /nfs/dbraw/zinc/54/23/40/572542340.db2.gz VFKSKTFCCJIXID-LURJTMIESA-N 1 2 188.271 1.899 10 0 ADAELO C[NH2+][C@@H]1Sc2cscc2[C@@H]1O 74278598 572542922 /nfs/dbraw/zinc/54/29/22/572542922.db2.gz GUSRJZIKQGVSGP-NKWVEPMBSA-N 1 2 187.289 1.433 10 0 ADAELO C[NH2+][C@H]1Sc2cscc2[C@@H]1O 74278595 572542937 /nfs/dbraw/zinc/54/29/37/572542937.db2.gz GUSRJZIKQGVSGP-BQBZGAKWSA-N 1 2 187.289 1.433 10 0 ADAELO CCCC1(O)C[NH+](C/C=C/Cl)C1 84374867 572542971 /nfs/dbraw/zinc/54/29/71/572542971.db2.gz LWAKKGKYYBHMFJ-HWKANZROSA-N 1 2 189.686 1.586 10 0 ADAELO C[NH2+][C@@H]1Sc2cscc2[C@H]1O 74278592 572543098 /nfs/dbraw/zinc/54/30/98/572543098.db2.gz GUSRJZIKQGVSGP-RNFRBKRXSA-N 1 2 187.289 1.433 10 0 ADAELO CCCC1(O)C[NH+](Cc2ccno2)C1 84364176 572543232 /nfs/dbraw/zinc/54/32/32/572543232.db2.gz DJOKVNPFLYJNQS-UHFFFAOYSA-N 1 2 196.250 1.021 10 0 ADAELO Cc1cccc2c(C(N)=[NH2+])n[nH]c12 251151720 572543289 /nfs/dbraw/zinc/54/32/89/572543289.db2.gz HVACKLHWXBJVSF-UHFFFAOYSA-N 1 2 174.207 1.155 10 0 ADAELO Cc1cccc2c(C(N)=[NH2+])[nH]nc12 251151720 572543294 /nfs/dbraw/zinc/54/32/94/572543294.db2.gz HVACKLHWXBJVSF-UHFFFAOYSA-N 1 2 174.207 1.155 10 0 ADAELO COc1c(C)c[nH+]c(CC(C)=O)c1C 53765730 572543451 /nfs/dbraw/zinc/54/34/51/572543451.db2.gz YBMYROBKEGPHTR-UHFFFAOYSA-N 1 2 193.246 1.839 10 0 ADAELO C[NH2+][C@H]1Sc2cscc2[C@H]1O 74278589 572543502 /nfs/dbraw/zinc/54/35/02/572543502.db2.gz GUSRJZIKQGVSGP-RQJHMYQMSA-N 1 2 187.289 1.433 10 0 ADAELO CCC1(O)C[NH+](CCC(F)(F)F)C1 84360685 572543622 /nfs/dbraw/zinc/54/36/22/572543622.db2.gz KZXARIHKXSNISQ-UHFFFAOYSA-N 1 2 197.200 1.396 10 0 ADAELO Cc1csc(C[NH2+][C@H](C)CF)n1 308057991 572544444 /nfs/dbraw/zinc/54/44/44/572544444.db2.gz VFKSKTFCCJIXID-ZCFIWIBFSA-N 1 2 188.271 1.899 10 0 ADAELO O=Cc1ccc2[nH+]c3c(n2c1)CCC3 74280587 572544812 /nfs/dbraw/zinc/54/48/12/572544812.db2.gz SVWKGNSZZMOFJQ-UHFFFAOYSA-N 1 2 186.214 1.636 10 0 ADAELO O=Cc1cccc2[nH+]c3c(n12)CCC3 74280591 572544827 /nfs/dbraw/zinc/54/48/27/572544827.db2.gz RTNXPBVFPRIKFQ-UHFFFAOYSA-N 1 2 186.214 1.636 10 0 ADAELO [NH3+]N1CCOC[C@H]1C1CCCCC1 74282819 572545710 /nfs/dbraw/zinc/54/57/10/572545710.db2.gz MIYDZJSXOKBHIX-JTQLQIEISA-N 1 2 184.283 1.141 10 0 ADAELO [NH3+]N1CCOC[C@@H]1C1CCCCC1 74282821 572545798 /nfs/dbraw/zinc/54/57/98/572545798.db2.gz MIYDZJSXOKBHIX-SNVBAGLBSA-N 1 2 184.283 1.141 10 0 ADAELO Cc1[nH]c2cc3ccn(N)c3cc2[nH+]1 74280510 572546104 /nfs/dbraw/zinc/54/61/04/572546104.db2.gz OCPVIZKJHSWUNX-UHFFFAOYSA-N 1 2 186.218 1.540 10 0 ADAELO Cc1[nH]c2cc3c(ccn3N)cc2[nH+]1 74280510 572546111 /nfs/dbraw/zinc/54/61/11/572546111.db2.gz OCPVIZKJHSWUNX-UHFFFAOYSA-N 1 2 186.218 1.540 10 0 ADAELO C[C@@H]1Nc2cccnc2-n2c[nH+]cc21 74280503 572546188 /nfs/dbraw/zinc/54/61/88/572546188.db2.gz CWYQPXMOTFDVGI-ZETCQYMHSA-N 1 2 186.218 1.754 10 0 ADAELO c1ccc(C[NH2+]Cc2cnco2)nc1 84413365 572546350 /nfs/dbraw/zinc/54/63/50/572546350.db2.gz PEFAJVWNGHBEKF-UHFFFAOYSA-N 1 2 189.218 1.359 10 0 ADAELO Cc1ncc(-c2ccc(N)[nH+]c2)cn1 74280550 572546734 /nfs/dbraw/zinc/54/67/34/572546734.db2.gz UQPUJWLNQBENPX-UHFFFAOYSA-N 1 2 186.218 1.429 10 0 ADAELO C[NH2+]N(C)[C@@H](c1ccccc1)[C@@H](C)O 238306503 572547097 /nfs/dbraw/zinc/54/70/97/572547097.db2.gz PGAJKGHDUMJJGE-MWLCHTKSSA-N 1 2 194.278 1.175 10 0 ADAELO C[NH2+]N(C)[C@H](c1ccccc1)[C@@H](C)O 238306490 572547472 /nfs/dbraw/zinc/54/74/72/572547472.db2.gz PGAJKGHDUMJJGE-KOLCDFICSA-N 1 2 194.278 1.175 10 0 ADAELO Cc1ccc(C[NH2+]Cc2cnco2)o1 84414964 572548916 /nfs/dbraw/zinc/54/89/16/572548916.db2.gz FIEZGCHCCHETOH-UHFFFAOYSA-N 1 2 192.218 1.866 10 0 ADAELO c1ncc(C[NH2+]Cc2cscn2)o1 84415184 572549751 /nfs/dbraw/zinc/54/97/51/572549751.db2.gz BIASFYOPFVCZHH-UHFFFAOYSA-N 1 2 195.247 1.421 10 0 ADAELO CC[C@@H](C)C(=O)Cn1cc[nH+]c1 87536231 572550539 /nfs/dbraw/zinc/55/05/39/572550539.db2.gz UBLBNPZGDNWRFC-MRVPVSSYSA-N 1 2 166.224 1.498 10 0 ADAELO Cc1cc(C[NH2+]Cc2cnco2)on1 84414791 572550764 /nfs/dbraw/zinc/55/07/64/572550764.db2.gz RLARJYOGNRUKIF-UHFFFAOYSA-N 1 2 193.206 1.261 10 0 ADAELO CC[C@H](C)C(=O)C[N@@H+]1CCOC[C@@H]1C 87535307 572551481 /nfs/dbraw/zinc/55/14/81/572551481.db2.gz NYOLVKKIOSFSKL-UWVGGRQHSA-N 1 2 199.294 1.322 10 0 ADAELO CC[C@H](C)C(=O)C[N@H+]1CCOC[C@@H]1C 87535307 572551487 /nfs/dbraw/zinc/55/14/87/572551487.db2.gz NYOLVKKIOSFSKL-UWVGGRQHSA-N 1 2 199.294 1.322 10 0 ADAELO CC[C@H](C)C(=O)Cn1cc[nH+]c1 87536233 572551508 /nfs/dbraw/zinc/55/15/08/572551508.db2.gz UBLBNPZGDNWRFC-QMMMGPOBSA-N 1 2 166.224 1.498 10 0 ADAELO c1csc(C[NH2+]Cc2cnco2)n1 84414511 572551706 /nfs/dbraw/zinc/55/17/06/572551706.db2.gz AVILAVCXAOQAPE-UHFFFAOYSA-N 1 2 195.247 1.421 10 0 ADAELO CC[C@@H](C)C(=O)C[N@@H+]1CCOC[C@@H]1C 87535305 572552534 /nfs/dbraw/zinc/55/25/34/572552534.db2.gz NYOLVKKIOSFSKL-ZJUUUORDSA-N 1 2 199.294 1.322 10 0 ADAELO CC[C@@H](C)C(=O)C[N@H+]1CCOC[C@@H]1C 87535305 572552537 /nfs/dbraw/zinc/55/25/37/572552537.db2.gz NYOLVKKIOSFSKL-ZJUUUORDSA-N 1 2 199.294 1.322 10 0 ADAELO CCCCN(C)c1c[nH+]cc(N)c1 84446071 572553392 /nfs/dbraw/zinc/55/33/92/572553392.db2.gz LTWAQTWIVBQFBB-UHFFFAOYSA-N 1 2 179.267 1.900 10 0 ADAELO CC[C@H](C)[C@H](O)Cn1cc[nH+]c1 87538946 572555311 /nfs/dbraw/zinc/55/53/11/572555311.db2.gz NWFICGDCHWTEJQ-DTWKUNHWSA-N 1 2 168.240 1.290 10 0 ADAELO CC[C@@H](C)[C@@H](O)Cn1cc[nH+]c1 87538947 572555348 /nfs/dbraw/zinc/55/53/48/572555348.db2.gz NWFICGDCHWTEJQ-BDAKNGLRSA-N 1 2 168.240 1.290 10 0 ADAELO Cc1ccc2c(C(N)=[NH2+])n[nH]c2c1 251206770 572555414 /nfs/dbraw/zinc/55/54/14/572555414.db2.gz XIDZZCFQRKQXHP-UHFFFAOYSA-N 1 2 174.207 1.155 10 0 ADAELO CC[C@H](C)[C@@H](O)Cn1cc[nH+]c1 87538948 572557345 /nfs/dbraw/zinc/55/73/45/572557345.db2.gz NWFICGDCHWTEJQ-IUCAKERBSA-N 1 2 168.240 1.290 10 0 ADAELO CC[C@@H](C)[C@H](O)Cn1cc[nH+]c1 87538945 572558302 /nfs/dbraw/zinc/55/83/02/572558302.db2.gz NWFICGDCHWTEJQ-RKDXNWHRSA-N 1 2 168.240 1.290 10 0 ADAELO CCn1cc([C@H]2[NH2+][C@@H](C)CS2)nn1 714499204 572560802 /nfs/dbraw/zinc/56/08/02/572560802.db2.gz JSSCEMMQSKSWJU-XPUUQOCRSA-N 1 2 198.295 1.022 10 0 ADAELO CCn1cc([C@H]2[NH2+][C@H](C)CS2)nn1 714499203 572560961 /nfs/dbraw/zinc/56/09/61/572560961.db2.gz JSSCEMMQSKSWJU-SVRRBLITSA-N 1 2 198.295 1.022 10 0 ADAELO CC[C@@H]1CC[NH2+][C@H](C(=O)OC2CC2)C1 713286583 572562395 /nfs/dbraw/zinc/56/23/95/572562395.db2.gz LLSUWEKYOVUYSJ-SCZZXKLOSA-N 1 2 197.278 1.470 10 0 ADAELO CC[C@H]1CC[NH2+][C@H](C(=O)OC2CC2)C1 713286585 572563057 /nfs/dbraw/zinc/56/30/57/572563057.db2.gz LLSUWEKYOVUYSJ-WPRPVWTQSA-N 1 2 197.278 1.470 10 0 ADAELO CC(=O)[C@H](C)[N@@H+]1C[C@H](C)OC(C)(C)C1 45699038 572563655 /nfs/dbraw/zinc/56/36/55/572563655.db2.gz YZFFJYSDXAXADD-IUCAKERBSA-N 1 2 199.294 1.463 10 0 ADAELO CC(=O)[C@H](C)[N@H+]1C[C@H](C)OC(C)(C)C1 45699038 572563660 /nfs/dbraw/zinc/56/36/60/572563660.db2.gz YZFFJYSDXAXADD-IUCAKERBSA-N 1 2 199.294 1.463 10 0 ADAELO C[C@H](O)CCCCn1cc[nH+]c1 45620708 572564023 /nfs/dbraw/zinc/56/40/23/572564023.db2.gz FSILBSSBCIFGJY-VIFPVBQESA-N 1 2 168.240 1.434 10 0 ADAELO CC[C@H]1CC[NH2+][C@@H](C(=O)OC2CC2)C1 713286584 572564782 /nfs/dbraw/zinc/56/47/82/572564782.db2.gz LLSUWEKYOVUYSJ-WCBMZHEXSA-N 1 2 197.278 1.470 10 0 ADAELO CC[C@@H]1CC[NH2+][C@@H](C(=O)OC2CC2)C1 713286582 572565137 /nfs/dbraw/zinc/56/51/37/572565137.db2.gz LLSUWEKYOVUYSJ-PSASIEDQSA-N 1 2 197.278 1.470 10 0 ADAELO Cc1cc(C)n(-c2[nH]cc[nH+]2)n1 45820685 572567863 /nfs/dbraw/zinc/56/78/63/572567863.db2.gz SHHUOKMIBXJHMX-UHFFFAOYSA-N 1 2 162.196 1.212 10 0 ADAELO C[NH2+]Cc1noc(C2C[C@@H]3C[C@@H]3C2)n1 87565968 572569348 /nfs/dbraw/zinc/56/93/48/572569348.db2.gz HMRZEDLGAIOMGT-DHBOJHSNSA-N 1 2 193.250 1.303 10 0 ADAELO Clc1nc(-n2cc[nH+]c2)ns1 71624365 572571691 /nfs/dbraw/zinc/57/16/91/572571691.db2.gz UDVHHWMFDVGLHC-UHFFFAOYSA-N 1 2 186.627 1.377 10 0 ADAELO OCc1cc(OC2CC2)cc[nH+]1 713290844 572572005 /nfs/dbraw/zinc/57/20/05/572572005.db2.gz LMNQOJVZXQPWTA-UHFFFAOYSA-N 1 2 165.192 1.115 10 0 ADAELO CCn1cc[nH+]c1CC(=O)C1(C)CC1 87549384 572573101 /nfs/dbraw/zinc/57/31/01/572573101.db2.gz HFVVLPBSWPULJK-UHFFFAOYSA-N 1 2 192.262 1.815 10 0 ADAELO CNc1[nH+]cccc1COC1CC1 713287907 572574211 /nfs/dbraw/zinc/57/42/11/572574211.db2.gz QVLUYBUHYPVTCX-UHFFFAOYSA-N 1 2 178.235 1.802 10 0 ADAELO C/C=C/C[N@@H+](C)[C@H](C)C(=O)OC 308068811 572575479 /nfs/dbraw/zinc/57/54/79/572575479.db2.gz AECHULIJVGSVMK-HQZHTGGTSA-N 1 2 171.240 1.056 10 0 ADAELO C/C=C/C[N@H+](C)[C@H](C)C(=O)OC 308068811 572575482 /nfs/dbraw/zinc/57/54/82/572575482.db2.gz AECHULIJVGSVMK-HQZHTGGTSA-N 1 2 171.240 1.056 10 0 ADAELO Cn1cc[nH+]c1CC(=O)CC1CC1 87580795 572576345 /nfs/dbraw/zinc/57/63/45/572576345.db2.gz FPEDMCUVGZRDCD-UHFFFAOYSA-N 1 2 178.235 1.332 10 0 ADAELO CCCOC(=O)CCn1cc[nH+]c1 87555879 572576478 /nfs/dbraw/zinc/57/64/78/572576478.db2.gz DJTWCHPFVWLFEL-UHFFFAOYSA-N 1 2 182.223 1.226 10 0 ADAELO CCn1cc[nH+]c1CC(=O)CC1CC1 87580965 572576645 /nfs/dbraw/zinc/57/66/45/572576645.db2.gz JXCUFQQRPQHHQL-UHFFFAOYSA-N 1 2 192.262 1.815 10 0 ADAELO O=C(Cc1[nH]cc[nH+]1)C1C[C@@H]2C[C@@H]2C1 87563817 572576753 /nfs/dbraw/zinc/57/67/53/572576753.db2.gz FNEACEZXKPICCT-JVHMLUBASA-N 1 2 190.246 1.567 10 0 ADAELO C/C=C\C[N@@H+](C)[C@H](C)C(=O)OC 308068812 572577089 /nfs/dbraw/zinc/57/70/89/572577089.db2.gz AECHULIJVGSVMK-RPSMYOMKSA-N 1 2 171.240 1.056 10 0 ADAELO Nc1[nH+]cccc1CC(=O)CC1CC1 87580772 572577091 /nfs/dbraw/zinc/57/70/91/572577091.db2.gz HCRCULGFNHENFE-UHFFFAOYSA-N 1 2 190.246 1.576 10 0 ADAELO C/C=C\C[N@H+](C)[C@H](C)C(=O)OC 308068812 572577093 /nfs/dbraw/zinc/57/70/93/572577093.db2.gz AECHULIJVGSVMK-RPSMYOMKSA-N 1 2 171.240 1.056 10 0 ADAELO COC(=[NH2+])[C@H](O)Cc1ccccc1 238343251 572577299 /nfs/dbraw/zinc/57/72/99/572577299.db2.gz XBAKJIVLHJIAQC-SECBINFHSA-N 1 2 179.219 1.214 10 0 ADAELO Nc1cc(CC(=O)CC2CC2)cc[nH+]1 87580822 572577364 /nfs/dbraw/zinc/57/73/64/572577364.db2.gz LRHGZWGQVMMOTC-UHFFFAOYSA-N 1 2 190.246 1.576 10 0 ADAELO COC(=[NH2+])[C@@H](O)Cc1ccccc1 238342789 572578676 /nfs/dbraw/zinc/57/86/76/572578676.db2.gz XBAKJIVLHJIAQC-VIFPVBQESA-N 1 2 179.219 1.214 10 0 ADAELO CCCc1cc(N)nc(CC2CC2)[nH+]1 87583424 572581068 /nfs/dbraw/zinc/58/10/68/572581068.db2.gz NSVIIFBRIAIFEB-UHFFFAOYSA-N 1 2 191.278 1.964 10 0 ADAELO CC(C)C1=NC(=O)N(C(C)C)C1[NH3+] 74299270 572581594 /nfs/dbraw/zinc/58/15/94/572581594.db2.gz UMORXFPUTNEOGY-UHFFFAOYSA-N 1 2 183.255 1.875 10 0 ADAELO C[NH2+][C@H](COC(C)C)C(F)F 234480912 572582017 /nfs/dbraw/zinc/58/20/17/572582017.db2.gz VTRGUSJXVWQQRQ-ZCFIWIBFSA-N 1 2 167.199 1.265 10 0 ADAELO c1cnc2[nH]cc(Cn3cc[nH+]c3)c2c1 114720676 572583732 /nfs/dbraw/zinc/58/37/32/572583732.db2.gz IEFAXCWEUCXGMC-UHFFFAOYSA-N 1 2 198.229 1.808 10 0 ADAELO CCOC(=O)[C@H]([NH2+]C1CC1)C1CCC1 87585360 572586685 /nfs/dbraw/zinc/58/66/85/572586685.db2.gz XJVIZTCMKGCIHB-SNVBAGLBSA-N 1 2 197.278 1.470 10 0 ADAELO COC(=O)[C@H]([NH2+]C1CC1)C1CCC1 87585358 572587466 /nfs/dbraw/zinc/58/74/66/572587466.db2.gz BPWJRIPSXVJUKX-SECBINFHSA-N 1 2 183.251 1.080 10 0 ADAELO COC(=O)[C@@H]([NH2+]C1CC1)C1CCC1 87585359 572587779 /nfs/dbraw/zinc/58/77/79/572587779.db2.gz BPWJRIPSXVJUKX-VIFPVBQESA-N 1 2 183.251 1.080 10 0 ADAELO CC(=O)[C@@H](c1cccnc1)[NH+](C)C 114789435 572587994 /nfs/dbraw/zinc/58/79/94/572587994.db2.gz NNOIYUIKPCIZOQ-JTQLQIEISA-N 1 2 178.235 1.273 10 0 ADAELO CC[NH2+][C@@H](C=C(C)C)c1c[nH]nn1 87600909 572592537 /nfs/dbraw/zinc/59/25/37/572592537.db2.gz PUMIDXVUBPYKIZ-QMMMGPOBSA-N 1 2 180.255 1.422 10 0 ADAELO CC[C@@H](C)[C@H]([NH2+]C)c1c[nH]nn1 87600802 572594538 /nfs/dbraw/zinc/59/45/38/572594538.db2.gz GFZCSMKJBVMTQK-SVRRBLITSA-N 1 2 168.244 1.111 10 0 ADAELO CCOC(=O)[C@@H]([NH2+]C1CC1)C1CCC1 87585361 572588333 /nfs/dbraw/zinc/58/83/33/572588333.db2.gz XJVIZTCMKGCIHB-JTQLQIEISA-N 1 2 197.278 1.470 10 0 ADAELO CNc1[nH+]cc(CO)c2ccccc12 234497387 572588444 /nfs/dbraw/zinc/58/84/44/572588444.db2.gz NMYCNBGGZBYEJY-UHFFFAOYSA-N 1 2 188.230 1.769 10 0 ADAELO COC(=[NH2+])c1cnn(C(C)C)c1 234496729 572588998 /nfs/dbraw/zinc/58/89/98/572588998.db2.gz SGOZEAIDZTVZIH-UHFFFAOYSA-N 1 2 167.212 1.436 10 0 ADAELO CC(=O)[C@@H](c1cccs1)[NH+](C)C 114789406 572590487 /nfs/dbraw/zinc/59/04/87/572590487.db2.gz QDFKYHDDIPBBFI-VIFPVBQESA-N 1 2 183.276 1.940 10 0 ADAELO CC(=O)[C@@H](c1ccccn1)[NH+](C)C 114789526 572590731 /nfs/dbraw/zinc/59/07/31/572590731.db2.gz YSRJRVBGEUHWHK-JTQLQIEISA-N 1 2 178.235 1.273 10 0 ADAELO CC[NH2+][C@H](C=C(C)C)c1cn[nH]n1 87600910 572590763 /nfs/dbraw/zinc/59/07/63/572590763.db2.gz PUMIDXVUBPYKIZ-MRVPVSSYSA-N 1 2 180.255 1.422 10 0 ADAELO CC[NH2+][C@H](C=C(C)C)c1c[nH]nn1 87600910 572590769 /nfs/dbraw/zinc/59/07/69/572590769.db2.gz PUMIDXVUBPYKIZ-MRVPVSSYSA-N 1 2 180.255 1.422 10 0 ADAELO CC[NH2+][C@H](c1ccoc1)c1cnn[nH]1 87601008 572590949 /nfs/dbraw/zinc/59/09/49/572590949.db2.gz IEBFLGHMSJKTCD-SECBINFHSA-N 1 2 192.222 1.097 10 0 ADAELO CC[NH2+][C@H](c1ccoc1)c1cn[nH]n1 87601008 572590953 /nfs/dbraw/zinc/59/09/53/572590953.db2.gz IEBFLGHMSJKTCD-SECBINFHSA-N 1 2 192.222 1.097 10 0 ADAELO CC[NH2+][C@H](c1c[nH]nn1)[C@H](C)CC 87601063 572590988 /nfs/dbraw/zinc/59/09/88/572590988.db2.gz BFQRQKKTVBKFOZ-APPZFPTMSA-N 1 2 182.271 1.501 10 0 ADAELO CC[NH2+][C@H](c1cn[nH]n1)[C@H](C)CC 87601063 572590992 /nfs/dbraw/zinc/59/09/92/572590992.db2.gz BFQRQKKTVBKFOZ-APPZFPTMSA-N 1 2 182.271 1.501 10 0 ADAELO CC[NH2+][C@@H](c1c[nH]nn1)C(C)C 87600965 572591003 /nfs/dbraw/zinc/59/10/03/572591003.db2.gz SROVEUQRFGHCCW-MRVPVSSYSA-N 1 2 168.244 1.111 10 0 ADAELO CC[NH2+][C@@H](c1cn[nH]n1)C(C)C 87600965 572591005 /nfs/dbraw/zinc/59/10/05/572591005.db2.gz SROVEUQRFGHCCW-MRVPVSSYSA-N 1 2 168.244 1.111 10 0 ADAELO CC[C@@H](C)C[C@H]([NH3+])c1cnn[nH]1 87600184 572591139 /nfs/dbraw/zinc/59/11/39/572591139.db2.gz PIPJRAVDABSZFO-RQJHMYQMSA-N 1 2 168.244 1.241 10 0 ADAELO CCC[C@@H](C)C[C@@H]([NH3+])c1cnn[nH]1 87600291 572591279 /nfs/dbraw/zinc/59/12/79/572591279.db2.gz JCNTUNMTIWORMW-HTQZYQBOSA-N 1 2 182.271 1.631 10 0 ADAELO CC(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 114789539 572591447 /nfs/dbraw/zinc/59/14/47/572591447.db2.gz CDSBGGCDCYNYBJ-LURJTMIESA-N 1 2 177.194 1.209 10 0 ADAELO CC[C@@H](C)[C@H](O)c1ccc[nH+]c1N 69843807 572591601 /nfs/dbraw/zinc/59/16/01/572591601.db2.gz BKDYSZDIGXHRTM-APPZFPTMSA-N 1 2 180.251 1.743 10 0 ADAELO CCn1c[nH+]cc1/C=C/C(=O)OC 84817883 572591631 /nfs/dbraw/zinc/59/16/31/572591631.db2.gz BDFWNYVOYZOAHR-SNAWJCMRSA-N 1 2 180.207 1.089 10 0 ADAELO CC[NH2+][C@H](c1c[nH]nn1)C(C)C 87600966 572591701 /nfs/dbraw/zinc/59/17/01/572591701.db2.gz SROVEUQRFGHCCW-QMMMGPOBSA-N 1 2 168.244 1.111 10 0 ADAELO CC[NH2+][C@H](c1cn[nH]n1)C(C)C 87600966 572591705 /nfs/dbraw/zinc/59/17/05/572591705.db2.gz SROVEUQRFGHCCW-QMMMGPOBSA-N 1 2 168.244 1.111 10 0 ADAELO Nc1[nH+]cccc1[C@H](O)C1CCCC1 69844040 572591743 /nfs/dbraw/zinc/59/17/43/572591743.db2.gz DWRWIXVSXIEXTN-SNVBAGLBSA-N 1 2 192.262 1.887 10 0 ADAELO CCC[C@@H](C)C[C@H]([NH3+])c1cnn[nH]1 87600287 572594918 /nfs/dbraw/zinc/59/49/18/572594918.db2.gz JCNTUNMTIWORMW-SFYZADRCSA-N 1 2 182.271 1.631 10 0 ADAELO CC(C)CC[C@@H]([NH3+])c1cnn[nH]1 87599827 572591859 /nfs/dbraw/zinc/59/18/59/572591859.db2.gz SQDIJCMWYVBYLG-SSDOTTSWSA-N 1 2 168.244 1.241 10 0 ADAELO [NH3+]C1CCC(c2cc(=O)[nH]o2)CC1 74300770 572591897 /nfs/dbraw/zinc/59/18/97/572591897.db2.gz SWFQRXNLMUAXBP-UHFFFAOYSA-N 1 2 182.223 1.365 10 0 ADAELO CC[NH2+][C@H](c1c[nH]nn1)C(C)(C)C 87600968 572592005 /nfs/dbraw/zinc/59/20/05/572592005.db2.gz LYFRBCGTRROCPW-MRVPVSSYSA-N 1 2 182.271 1.501 10 0 ADAELO CC[NH2+][C@H](c1cn[nH]n1)C(C)(C)C 87600968 572592008 /nfs/dbraw/zinc/59/20/08/572592008.db2.gz LYFRBCGTRROCPW-MRVPVSSYSA-N 1 2 182.271 1.501 10 0 ADAELO CCC(CC)[C@@H]([NH3+])c1cnn[nH]1 87600388 572592056 /nfs/dbraw/zinc/59/20/56/572592056.db2.gz WMPNBIHJBRJVRR-MRVPVSSYSA-N 1 2 168.244 1.241 10 0 ADAELO CC[NH2+][C@H](c1c[nH]nn1)[C@@H](C)CC 87601064 572592069 /nfs/dbraw/zinc/59/20/69/572592069.db2.gz BFQRQKKTVBKFOZ-CBAPKCEASA-N 1 2 182.271 1.501 10 0 ADAELO CC[NH2+][C@H](c1cn[nH]n1)[C@@H](C)CC 87601064 572592073 /nfs/dbraw/zinc/59/20/73/572592073.db2.gz BFQRQKKTVBKFOZ-CBAPKCEASA-N 1 2 182.271 1.501 10 0 ADAELO CC[NH2+][C@@H](c1cn[nH]n1)C(CC)CC 87601060 572592133 /nfs/dbraw/zinc/59/21/33/572592133.db2.gz QSPIOBLCOCHMMI-SNVBAGLBSA-N 1 2 196.298 1.892 10 0 ADAELO CC[NH2+][C@@H](c1c[nH]nn1)C(CC)CC 87601060 572592137 /nfs/dbraw/zinc/59/21/37/572592137.db2.gz QSPIOBLCOCHMMI-SNVBAGLBSA-N 1 2 196.298 1.892 10 0 ADAELO CC(=O)[C@H](c1cccs1)[NH+](C)C 114789407 572592143 /nfs/dbraw/zinc/59/21/43/572592143.db2.gz QDFKYHDDIPBBFI-SECBINFHSA-N 1 2 183.276 1.940 10 0 ADAELO CCC(CC)[C@H]([NH2+]C)c1cn[nH]n1 87600796 572592167 /nfs/dbraw/zinc/59/21/67/572592167.db2.gz BIFZSRBLABJYOX-VIFPVBQESA-N 1 2 182.271 1.501 10 0 ADAELO CCC(CC)[C@H]([NH2+]C)c1c[nH]nn1 87600796 572592169 /nfs/dbraw/zinc/59/21/69/572592169.db2.gz BIFZSRBLABJYOX-VIFPVBQESA-N 1 2 182.271 1.501 10 0 ADAELO [NH3+][C@@H](CCC(F)(F)F)c1cnn[nH]1 87600163 572592203 /nfs/dbraw/zinc/59/22/03/572592203.db2.gz XIZFBPFQTXWBOO-BYPYZUCNSA-N 1 2 194.160 1.147 10 0 ADAELO CC[C@H](C)[C@@H](O)c1ccc[nH+]c1N 69843813 572592246 /nfs/dbraw/zinc/59/22/46/572592246.db2.gz BKDYSZDIGXHRTM-IONNQARKSA-N 1 2 180.251 1.743 10 0 ADAELO CC[NH2+][C@@H](c1c[nH]nn1)C(C)(C)C 87600967 572592254 /nfs/dbraw/zinc/59/22/54/572592254.db2.gz LYFRBCGTRROCPW-QMMMGPOBSA-N 1 2 182.271 1.501 10 0 ADAELO CC[NH2+][C@@H](c1cn[nH]n1)C(C)(C)C 87600967 572592257 /nfs/dbraw/zinc/59/22/57/572592257.db2.gz LYFRBCGTRROCPW-QMMMGPOBSA-N 1 2 182.271 1.501 10 0 ADAELO CCC(CC)[C@@H]([NH2+]C)c1cn[nH]n1 87600797 572592376 /nfs/dbraw/zinc/59/23/76/572592376.db2.gz BIFZSRBLABJYOX-SECBINFHSA-N 1 2 182.271 1.501 10 0 ADAELO CCC(CC)[C@@H]([NH2+]C)c1c[nH]nn1 87600797 572592381 /nfs/dbraw/zinc/59/23/81/572592381.db2.gz BIFZSRBLABJYOX-SECBINFHSA-N 1 2 182.271 1.501 10 0 ADAELO CC[C@@H](C)[C@@H](O)c1ccc[nH+]c1N 69843810 572592403 /nfs/dbraw/zinc/59/24/03/572592403.db2.gz BKDYSZDIGXHRTM-VXNVDRBHSA-N 1 2 180.251 1.743 10 0 ADAELO CCCCCC[C@@H]([NH3+])c1cnn[nH]1 87599926 572592481 /nfs/dbraw/zinc/59/24/81/572592481.db2.gz NTJVCOCPMCOKOK-MRVPVSSYSA-N 1 2 182.271 1.775 10 0 ADAELO CC[NH2+][C@@H](C=C(C)C)c1cn[nH]n1 87600909 572592534 /nfs/dbraw/zinc/59/25/34/572592534.db2.gz PUMIDXVUBPYKIZ-QMMMGPOBSA-N 1 2 180.255 1.422 10 0 ADAELO CC(=O)[C@H](c1ccccn1)[NH+](C)C 114789527 572592937 /nfs/dbraw/zinc/59/29/37/572592937.db2.gz YSRJRVBGEUHWHK-SNVBAGLBSA-N 1 2 178.235 1.273 10 0 ADAELO COC(=O)/C=C/c1c[nH+]cn1C(C)C 84817884 572593059 /nfs/dbraw/zinc/59/30/59/572593059.db2.gz ONIRNWWEZGOUEA-SNAWJCMRSA-N 1 2 194.234 1.650 10 0 ADAELO CCCCC[C@@H]([NH3+])c1cnn[nH]1 87600142 572593165 /nfs/dbraw/zinc/59/31/65/572593165.db2.gz KZEFCDVZCCAIPN-SSDOTTSWSA-N 1 2 168.244 1.385 10 0 ADAELO CC(=O)[C@H](c1cccnc1)[NH+](C)C 114789438 572593251 /nfs/dbraw/zinc/59/32/51/572593251.db2.gz NNOIYUIKPCIZOQ-SNVBAGLBSA-N 1 2 178.235 1.273 10 0 ADAELO Nc1[nH+]cccc1[C@@H](O)C1CCCC1 69844042 572593374 /nfs/dbraw/zinc/59/33/74/572593374.db2.gz DWRWIXVSXIEXTN-JTQLQIEISA-N 1 2 192.262 1.887 10 0 ADAELO CC[C@H](C)[C@H](O)c1ccc[nH+]c1N 69843808 572593732 /nfs/dbraw/zinc/59/37/32/572593732.db2.gz BKDYSZDIGXHRTM-CBAPKCEASA-N 1 2 180.251 1.743 10 0 ADAELO CC[C@H](C)[C@@H]([NH2+]C)c1c[nH]nn1 87600805 572593769 /nfs/dbraw/zinc/59/37/69/572593769.db2.gz GFZCSMKJBVMTQK-POYBYMJQSA-N 1 2 168.244 1.111 10 0 ADAELO CC[C@H](C)[C@@H]([NH2+]C)c1cn[nH]n1 87600805 572593772 /nfs/dbraw/zinc/59/37/72/572593772.db2.gz GFZCSMKJBVMTQK-POYBYMJQSA-N 1 2 168.244 1.111 10 0 ADAELO CCCCC[C@H]([NH3+])c1cnn[nH]1 87600141 572593831 /nfs/dbraw/zinc/59/38/31/572593831.db2.gz KZEFCDVZCCAIPN-ZETCQYMHSA-N 1 2 168.244 1.385 10 0 ADAELO CCC[C@H](C)C[C@@H]([NH3+])c1cnn[nH]1 87600293 572593869 /nfs/dbraw/zinc/59/38/69/572593869.db2.gz JCNTUNMTIWORMW-JGVFFNPUSA-N 1 2 182.271 1.631 10 0 ADAELO CC[NH2+][C@H](c1cn[nH]n1)C(CC)CC 87601059 572594091 /nfs/dbraw/zinc/59/40/91/572594091.db2.gz QSPIOBLCOCHMMI-JTQLQIEISA-N 1 2 196.298 1.892 10 0 ADAELO CC[NH2+][C@H](c1c[nH]nn1)C(CC)CC 87601059 572594095 /nfs/dbraw/zinc/59/40/95/572594095.db2.gz QSPIOBLCOCHMMI-JTQLQIEISA-N 1 2 196.298 1.892 10 0 ADAELO CC[NH2+][C@@H](c1ccoc1)c1cnn[nH]1 87601007 572594307 /nfs/dbraw/zinc/59/43/07/572594307.db2.gz IEBFLGHMSJKTCD-VIFPVBQESA-N 1 2 192.222 1.097 10 0 ADAELO CC[NH2+][C@@H](c1ccoc1)c1cn[nH]n1 87601007 572594311 /nfs/dbraw/zinc/59/43/11/572594311.db2.gz IEBFLGHMSJKTCD-VIFPVBQESA-N 1 2 192.222 1.097 10 0 ADAELO CC[C@@H](C)[C@H]([NH2+]C)c1cn[nH]n1 87600802 572594542 /nfs/dbraw/zinc/59/45/42/572594542.db2.gz GFZCSMKJBVMTQK-SVRRBLITSA-N 1 2 168.244 1.111 10 0 ADAELO CC[C@@H](C)C[C@@H]([NH3+])c1cnn[nH]1 87600188 572594632 /nfs/dbraw/zinc/59/46/32/572594632.db2.gz PIPJRAVDABSZFO-RNFRBKRXSA-N 1 2 168.244 1.241 10 0 ADAELO CCC[C@H](C)C[C@H]([NH3+])c1cnn[nH]1 87600289 572594683 /nfs/dbraw/zinc/59/46/83/572594683.db2.gz JCNTUNMTIWORMW-YUMQZZPRSA-N 1 2 182.271 1.631 10 0 ADAELO CC[C@H](C)C[C@@H]([NH3+])c1cnn[nH]1 87600190 572594740 /nfs/dbraw/zinc/59/47/40/572594740.db2.gz PIPJRAVDABSZFO-NKWVEPMBSA-N 1 2 168.244 1.241 10 0 ADAELO CC[C@H](C)[C@H]([NH2+]C)c1c[nH]nn1 87600803 572594774 /nfs/dbraw/zinc/59/47/74/572594774.db2.gz GFZCSMKJBVMTQK-XPUUQOCRSA-N 1 2 168.244 1.111 10 0 ADAELO CC[C@H](C)[C@H]([NH2+]C)c1cn[nH]n1 87600803 572594778 /nfs/dbraw/zinc/59/47/78/572594778.db2.gz GFZCSMKJBVMTQK-XPUUQOCRSA-N 1 2 168.244 1.111 10 0 ADAELO CC[C@H](C)C[C@H]([NH3+])c1cnn[nH]1 87600187 572594851 /nfs/dbraw/zinc/59/48/51/572594851.db2.gz PIPJRAVDABSZFO-BQBZGAKWSA-N 1 2 168.244 1.241 10 0 ADAELO CC[C@@H](C)[C@@H]([NH2+]C)c1c[nH]nn1 87600804 572594983 /nfs/dbraw/zinc/59/49/83/572594983.db2.gz GFZCSMKJBVMTQK-HTRCEHHLSA-N 1 2 168.244 1.111 10 0 ADAELO CC[C@@H](C)[C@@H]([NH2+]C)c1cn[nH]n1 87600804 572594988 /nfs/dbraw/zinc/59/49/88/572594988.db2.gz GFZCSMKJBVMTQK-HTRCEHHLSA-N 1 2 168.244 1.111 10 0 ADAELO CC(C)CC[C@H]([NH3+])c1cnn[nH]1 87599826 572595088 /nfs/dbraw/zinc/59/50/88/572595088.db2.gz SQDIJCMWYVBYLG-ZETCQYMHSA-N 1 2 168.244 1.241 10 0 ADAELO [NH3+][C@H](CCC(F)(F)F)c1cnn[nH]1 87600161 572595314 /nfs/dbraw/zinc/59/53/14/572595314.db2.gz XIZFBPFQTXWBOO-SCSAIBSYSA-N 1 2 194.160 1.147 10 0 ADAELO CCC[NH2+][C@H](CC1CC1)c1c[nH]nn1 87601162 572596468 /nfs/dbraw/zinc/59/64/68/572596468.db2.gz FSILMSCAVAFIBG-SECBINFHSA-N 1 2 194.282 1.646 10 0 ADAELO CCC[NH2+][C@H](CC1CC1)c1cn[nH]n1 87601162 572596476 /nfs/dbraw/zinc/59/64/76/572596476.db2.gz FSILMSCAVAFIBG-SECBINFHSA-N 1 2 194.282 1.646 10 0 ADAELO CCC[NH2+][C@@H](c1cn[nH]n1)C(C)(C)C 87601147 572596721 /nfs/dbraw/zinc/59/67/21/572596721.db2.gz IXPKGDATLFHLEJ-VIFPVBQESA-N 1 2 196.298 1.892 10 0 ADAELO CCC[NH2+][C@@H](c1c[nH]nn1)C(C)(C)C 87601147 572596724 /nfs/dbraw/zinc/59/67/24/572596724.db2.gz IXPKGDATLFHLEJ-VIFPVBQESA-N 1 2 196.298 1.892 10 0 ADAELO CCC[NH2+][C@H](CC(C)C)c1c[nH]nn1 87601150 572596829 /nfs/dbraw/zinc/59/68/29/572596829.db2.gz VMLXAPUOIHJNSS-SECBINFHSA-N 1 2 196.298 1.892 10 0 ADAELO CCC[NH2+][C@H](CC(C)C)c1cn[nH]n1 87601150 572596833 /nfs/dbraw/zinc/59/68/33/572596833.db2.gz VMLXAPUOIHJNSS-SECBINFHSA-N 1 2 196.298 1.892 10 0 ADAELO CCC[NH2+][C@@H](CC(C)C)c1c[nH]nn1 87601149 572596800 /nfs/dbraw/zinc/59/68/00/572596800.db2.gz VMLXAPUOIHJNSS-VIFPVBQESA-N 1 2 196.298 1.892 10 0 ADAELO CCC[NH2+][C@@H](CC(C)C)c1cn[nH]n1 87601149 572596803 /nfs/dbraw/zinc/59/68/03/572596803.db2.gz VMLXAPUOIHJNSS-VIFPVBQESA-N 1 2 196.298 1.892 10 0 ADAELO CCC[NH2+][C@H](C=C(C)C)c1cn[nH]n1 87601110 572596902 /nfs/dbraw/zinc/59/69/02/572596902.db2.gz ZESXUDOOVIPNEC-SECBINFHSA-N 1 2 194.282 1.812 10 0 ADAELO CCC[NH2+][C@H](C=C(C)C)c1c[nH]nn1 87601110 572596912 /nfs/dbraw/zinc/59/69/12/572596912.db2.gz ZESXUDOOVIPNEC-SECBINFHSA-N 1 2 194.282 1.812 10 0 ADAELO CCC[NH2+][C@@H](c1cn[nH]n1)[C@@H](C)CC 87601235 572597200 /nfs/dbraw/zinc/59/72/00/572597200.db2.gz CRCGIIUSKLSJRV-WCBMZHEXSA-N 1 2 196.298 1.892 10 0 ADAELO CCC[NH2+][C@@H](c1c[nH]nn1)[C@@H](C)CC 87601235 572597205 /nfs/dbraw/zinc/59/72/05/572597205.db2.gz CRCGIIUSKLSJRV-WCBMZHEXSA-N 1 2 196.298 1.892 10 0 ADAELO CC[NH2+][C@@H](c1c[nH]nn1)[C@@H](C)CC 87601066 572597388 /nfs/dbraw/zinc/59/73/88/572597388.db2.gz BFQRQKKTVBKFOZ-IONNQARKSA-N 1 2 182.271 1.501 10 0 ADAELO CC[NH2+][C@@H](c1cn[nH]n1)[C@@H](C)CC 87601066 572597392 /nfs/dbraw/zinc/59/73/92/572597392.db2.gz BFQRQKKTVBKFOZ-IONNQARKSA-N 1 2 182.271 1.501 10 0 ADAELO CCC[NH2+][C@@H](CC1CC1)c1c[nH]nn1 87601161 572597454 /nfs/dbraw/zinc/59/74/54/572597454.db2.gz FSILMSCAVAFIBG-VIFPVBQESA-N 1 2 194.282 1.646 10 0 ADAELO CCC[NH2+][C@@H](CC1CC1)c1cn[nH]n1 87601161 572597459 /nfs/dbraw/zinc/59/74/59/572597459.db2.gz FSILMSCAVAFIBG-VIFPVBQESA-N 1 2 194.282 1.646 10 0 ADAELO CCC[NH2+][C@H](c1cn[nH]n1)C1CC1 87601164 572599372 /nfs/dbraw/zinc/59/93/72/572599372.db2.gz DBSAPIBCNMTZQZ-VIFPVBQESA-N 1 2 180.255 1.255 10 0 ADAELO CC[NH2+][C@H](c1cnn[nH]1)c1ccco1 87601067 572597530 /nfs/dbraw/zinc/59/75/30/572597530.db2.gz MGXINVMNYZWYPK-SECBINFHSA-N 1 2 192.222 1.097 10 0 ADAELO CCC[NH2+][C@@H](c1cn[nH]n1)C(C)C 87601145 572600171 /nfs/dbraw/zinc/60/01/71/572600171.db2.gz HITIXZWNAXDRBA-SECBINFHSA-N 1 2 182.271 1.501 10 0 ADAELO CCC[NH2+][C@H](c1cn[nH]n1)[C@@H](C)CC 87601236 572597633 /nfs/dbraw/zinc/59/76/33/572597633.db2.gz CRCGIIUSKLSJRV-WPRPVWTQSA-N 1 2 196.298 1.892 10 0 ADAELO CCC[NH2+][C@H](c1c[nH]nn1)[C@@H](C)CC 87601236 572597635 /nfs/dbraw/zinc/59/76/35/572597635.db2.gz CRCGIIUSKLSJRV-WPRPVWTQSA-N 1 2 196.298 1.892 10 0 ADAELO CCC[NH2+][C@H](c1cn[nH]n1)C(C)(C)C 87601148 572597730 /nfs/dbraw/zinc/59/77/30/572597730.db2.gz IXPKGDATLFHLEJ-SECBINFHSA-N 1 2 196.298 1.892 10 0 ADAELO CCC[NH2+][C@H](c1c[nH]nn1)C(C)(C)C 87601148 572597732 /nfs/dbraw/zinc/59/77/32/572597732.db2.gz IXPKGDATLFHLEJ-SECBINFHSA-N 1 2 196.298 1.892 10 0 ADAELO Cc1cccc(-n2c[nH+]c(N)c2)c1 72193528 572598035 /nfs/dbraw/zinc/59/80/35/572598035.db2.gz RQAORCYZKAJOMN-UHFFFAOYSA-N 1 2 173.219 1.763 10 0 ADAELO CC[NH2+][C@H](c1cn[nH]n1)C1CCCC1 87601070 572598168 /nfs/dbraw/zinc/59/81/68/572598168.db2.gz ZOTVLNLLSLSBQC-JTQLQIEISA-N 1 2 194.282 1.646 10 0 ADAELO CC[NH2+][C@H](c1c[nH]nn1)C1CCCC1 87601070 572598171 /nfs/dbraw/zinc/59/81/71/572598171.db2.gz ZOTVLNLLSLSBQC-JTQLQIEISA-N 1 2 194.282 1.646 10 0 ADAELO Cc1ccc(-n2c[nH+]c(N)c2)cc1 72193543 572598296 /nfs/dbraw/zinc/59/82/96/572598296.db2.gz HELOJSHNWXJRAS-UHFFFAOYSA-N 1 2 173.219 1.763 10 0 ADAELO CCC[NH2+][C@@H](c1cn[nH]n1)[C@H](C)CC 87601237 572598387 /nfs/dbraw/zinc/59/83/87/572598387.db2.gz CRCGIIUSKLSJRV-PSASIEDQSA-N 1 2 196.298 1.892 10 0 ADAELO CCC[NH2+][C@@H](c1c[nH]nn1)[C@H](C)CC 87601237 572598390 /nfs/dbraw/zinc/59/83/90/572598390.db2.gz CRCGIIUSKLSJRV-PSASIEDQSA-N 1 2 196.298 1.892 10 0 ADAELO CC[NH2+][C@@H](c1cn[nH]n1)C1CCCC1 87601069 572598517 /nfs/dbraw/zinc/59/85/17/572598517.db2.gz ZOTVLNLLSLSBQC-SNVBAGLBSA-N 1 2 194.282 1.646 10 0 ADAELO CC[NH2+][C@@H](c1c[nH]nn1)C1CCCC1 87601069 572598521 /nfs/dbraw/zinc/59/85/21/572598521.db2.gz ZOTVLNLLSLSBQC-SNVBAGLBSA-N 1 2 194.282 1.646 10 0 ADAELO Cc1ccccc1-n1c[nH+]c(N)c1 72193537 572598564 /nfs/dbraw/zinc/59/85/64/572598564.db2.gz QWVRRPXMEGAGBV-UHFFFAOYSA-N 1 2 173.219 1.763 10 0 ADAELO Cc1cc(F)ccc1-n1c[nH+]c(N)c1 72193566 572598608 /nfs/dbraw/zinc/59/86/08/572598608.db2.gz GJMRZGRWZCWCOB-UHFFFAOYSA-N 1 2 191.209 1.902 10 0 ADAELO CCC[NH2+][C@@H](C=C(C)C)c1cn[nH]n1 87601109 572598699 /nfs/dbraw/zinc/59/86/99/572598699.db2.gz ZESXUDOOVIPNEC-VIFPVBQESA-N 1 2 194.282 1.812 10 0 ADAELO CCC[NH2+][C@@H](C=C(C)C)c1c[nH]nn1 87601109 572598704 /nfs/dbraw/zinc/59/87/04/572598704.db2.gz ZESXUDOOVIPNEC-VIFPVBQESA-N 1 2 194.282 1.812 10 0 ADAELO CCC[NH2+][C@H](CC)c1c[nH]nn1 87601219 572599107 /nfs/dbraw/zinc/59/91/07/572599107.db2.gz JUFOKINSCHKKHD-SSDOTTSWSA-N 1 2 168.244 1.255 10 0 ADAELO CCC[NH2+][C@H](CC)c1cn[nH]n1 87601219 572599110 /nfs/dbraw/zinc/59/91/10/572599110.db2.gz JUFOKINSCHKKHD-SSDOTTSWSA-N 1 2 168.244 1.255 10 0 ADAELO CCC[NH2+][C@H](c1cn[nH]n1)[C@H](C)CC 87601238 572599171 /nfs/dbraw/zinc/59/91/71/572599171.db2.gz CRCGIIUSKLSJRV-SCZZXKLOSA-N 1 2 196.298 1.892 10 0 ADAELO CCC[NH2+][C@H](c1c[nH]nn1)[C@H](C)CC 87601238 572599174 /nfs/dbraw/zinc/59/91/74/572599174.db2.gz CRCGIIUSKLSJRV-SCZZXKLOSA-N 1 2 196.298 1.892 10 0 ADAELO CCC[NH2+][C@H](CCC)c1c[nH]nn1 87601170 572599187 /nfs/dbraw/zinc/59/91/87/572599187.db2.gz UGSHNNRGAXMENN-MRVPVSSYSA-N 1 2 182.271 1.646 10 0 ADAELO CCC[NH2+][C@H](CCC)c1cn[nH]n1 87601170 572599189 /nfs/dbraw/zinc/59/91/89/572599189.db2.gz UGSHNNRGAXMENN-MRVPVSSYSA-N 1 2 182.271 1.646 10 0 ADAELO CCC[NH2+][C@H](c1c[nH]nn1)C1CC1 87601164 572599369 /nfs/dbraw/zinc/59/93/69/572599369.db2.gz DBSAPIBCNMTZQZ-VIFPVBQESA-N 1 2 180.255 1.255 10 0 ADAELO Cn1cc[nH+]c1-c1cnc2[nH]ccc2c1 115125392 572601839 /nfs/dbraw/zinc/60/18/39/572601839.db2.gz KSLGJSYSIPJVCH-UHFFFAOYSA-N 1 2 198.229 1.963 10 0 ADAELO CCC[NH2+][C@@H](CC)c1c[nH]nn1 87601218 572599569 /nfs/dbraw/zinc/59/95/69/572599569.db2.gz JUFOKINSCHKKHD-ZETCQYMHSA-N 1 2 168.244 1.255 10 0 ADAELO CCC[NH2+][C@@H](CC)c1cn[nH]n1 87601218 572599574 /nfs/dbraw/zinc/59/95/74/572599574.db2.gz JUFOKINSCHKKHD-ZETCQYMHSA-N 1 2 168.244 1.255 10 0 ADAELO CCC[NH2+][C@@H](c1c[nH]nn1)C1CC1 87601163 572599816 /nfs/dbraw/zinc/59/98/16/572599816.db2.gz DBSAPIBCNMTZQZ-SECBINFHSA-N 1 2 180.255 1.255 10 0 ADAELO CCC[NH2+][C@@H](c1cn[nH]n1)C1CC1 87601163 572599821 /nfs/dbraw/zinc/59/98/21/572599821.db2.gz DBSAPIBCNMTZQZ-SECBINFHSA-N 1 2 180.255 1.255 10 0 ADAELO CC[NH2+][C@@H](c1cnn[nH]1)c1ccco1 87601068 572600040 /nfs/dbraw/zinc/60/00/40/572600040.db2.gz MGXINVMNYZWYPK-VIFPVBQESA-N 1 2 192.222 1.097 10 0 ADAELO CC[NH2+][C@@H](c1c[nH]nn1)[C@H](C)CC 87601065 572600082 /nfs/dbraw/zinc/60/00/82/572600082.db2.gz BFQRQKKTVBKFOZ-VXNVDRBHSA-N 1 2 182.271 1.501 10 0 ADAELO CC[NH2+][C@@H](c1cn[nH]n1)[C@H](C)CC 87601065 572600086 /nfs/dbraw/zinc/60/00/86/572600086.db2.gz BFQRQKKTVBKFOZ-VXNVDRBHSA-N 1 2 182.271 1.501 10 0 ADAELO CCC[NH2+][C@H](c1c[nH]nn1)C(C)C 87601146 572600109 /nfs/dbraw/zinc/60/01/09/572600109.db2.gz HITIXZWNAXDRBA-VIFPVBQESA-N 1 2 182.271 1.501 10 0 ADAELO CCC[NH2+][C@H](c1cn[nH]n1)C(C)C 87601146 572600111 /nfs/dbraw/zinc/60/01/11/572600111.db2.gz HITIXZWNAXDRBA-VIFPVBQESA-N 1 2 182.271 1.501 10 0 ADAELO CCC[NH2+][C@@H](c1c[nH]nn1)C(C)C 87601145 572600168 /nfs/dbraw/zinc/60/01/68/572600168.db2.gz HITIXZWNAXDRBA-SECBINFHSA-N 1 2 182.271 1.501 10 0 ADAELO CCC[NH2+][C@@H](CCC)c1c[nH]nn1 87601169 572600298 /nfs/dbraw/zinc/60/02/98/572600298.db2.gz UGSHNNRGAXMENN-QMMMGPOBSA-N 1 2 182.271 1.646 10 0 ADAELO CCC[NH2+][C@@H](CCC)c1cn[nH]n1 87601169 572600300 /nfs/dbraw/zinc/60/03/00/572600300.db2.gz UGSHNNRGAXMENN-QMMMGPOBSA-N 1 2 182.271 1.646 10 0 ADAELO CCOC(=O)Cn1c[nH+]c(CC)c1 115058078 572600816 /nfs/dbraw/zinc/60/08/16/572600816.db2.gz KQUMWTQAOUBSMK-UHFFFAOYSA-N 1 2 182.223 1.009 10 0 ADAELO OCc1cn(CCCCF)c[nH+]1 308071433 572601160 /nfs/dbraw/zinc/60/11/60/572601160.db2.gz BPTVFLZXNAQMPC-UHFFFAOYSA-N 1 2 172.203 1.125 10 0 ADAELO CC(C)[C@H]([NH3+])c1nc2c[nH]oc-2n1 74303751 572601555 /nfs/dbraw/zinc/60/15/55/572601555.db2.gz IMVAEOYJVZDOQB-LURJTMIESA-N 1 2 180.211 1.207 10 0 ADAELO Cc1nc(-n2cc[nH+]c2)sc1N 74303584 572601566 /nfs/dbraw/zinc/60/15/66/572601566.db2.gz VUHJOTRJWNMJAE-UHFFFAOYSA-N 1 2 180.236 1.219 10 0 ADAELO CCC[C@H]([NH3+])c1nc2c[nH]oc-2n1 74303748 572602443 /nfs/dbraw/zinc/60/24/43/572602443.db2.gz DCJJPSJUMWKZSP-YFKPBYRVSA-N 1 2 180.211 1.351 10 0 ADAELO CCc1[nH+]cc2scc(C=O)n12 74303673 572603823 /nfs/dbraw/zinc/60/38/23/572603823.db2.gz KJBWIYHXYHCVKN-UHFFFAOYSA-N 1 2 180.232 1.771 10 0 ADAELO Cc1[nH]c[nH+]c1-c1ncsc1N 74303573 572604537 /nfs/dbraw/zinc/60/45/37/572604537.db2.gz WPCOCRGCRIAHRQ-UHFFFAOYSA-N 1 2 180.236 1.424 10 0 ADAELO COC[C@@H](C)n1cc[nH+]c1 69906441 572604615 /nfs/dbraw/zinc/60/46/15/572604615.db2.gz BTLPUVFUGNZHQW-SSDOTTSWSA-N 1 2 140.186 1.091 10 0 ADAELO CC(C)(C)O[NH2+]CCCCCCO 232492324 572605434 /nfs/dbraw/zinc/60/54/34/572605434.db2.gz MHARCXPSKMVDDJ-UHFFFAOYSA-N 1 2 189.299 1.859 10 0 ADAELO Nc1[nH+]cn2c3c(sc12)CCC3 74304872 572605601 /nfs/dbraw/zinc/60/56/01/572605601.db2.gz LPASELFLZFAKPQ-UHFFFAOYSA-N 1 2 179.248 1.467 10 0 ADAELO COC[C@H](C)n1cc[nH+]c1 69906440 572605869 /nfs/dbraw/zinc/60/58/69/572605869.db2.gz BTLPUVFUGNZHQW-ZETCQYMHSA-N 1 2 140.186 1.091 10 0 ADAELO Cc1cc(N)sc1-n1cc[nH+]c1 74304897 572606003 /nfs/dbraw/zinc/60/60/03/572606003.db2.gz AIDLWIHWAASSJB-UHFFFAOYSA-N 1 2 179.248 1.824 10 0 ADAELO Nc1[nH+]cn2c(C3CC3)csc12 74304873 572606009 /nfs/dbraw/zinc/60/60/09/572606009.db2.gz VRAMEITXXOYBBV-UHFFFAOYSA-N 1 2 179.248 1.855 10 0 ADAELO Cc1cc(-n2cc[nH+]c2)sc1N 74304893 572606026 /nfs/dbraw/zinc/60/60/26/572606026.db2.gz HKIQTRXLVSYOQX-UHFFFAOYSA-N 1 2 179.248 1.824 10 0 ADAELO Cc1sc(N)cc1-n1cc[nH+]c1 74304895 572606886 /nfs/dbraw/zinc/60/68/86/572606886.db2.gz AANHHAVRJYMKEX-UHFFFAOYSA-N 1 2 179.248 1.824 10 0 ADAELO CC1=[NH+][C@@H](C)c2cnccc2N1 68297469 572606896 /nfs/dbraw/zinc/60/68/96/572606896.db2.gz GKFMUOZFOSCJLV-LURJTMIESA-N 1 2 161.208 1.796 10 0 ADAELO Cc1sc(-n2cc[nH+]c2)cc1N 74304890 572607112 /nfs/dbraw/zinc/60/71/12/572607112.db2.gz DWSYDMYXSQSBPP-UHFFFAOYSA-N 1 2 179.248 1.824 10 0 ADAELO COC(/C=C\c1cc[nH+]cc1N)OC 209016249 572607621 /nfs/dbraw/zinc/60/76/21/572607621.db2.gz UTVCCQKPCIDDEE-ARJAWSKDSA-N 1 2 194.234 1.296 10 0 ADAELO CC(C)n1ccnc1C[NH+](C)C 115248750 572611772 /nfs/dbraw/zinc/61/17/72/572611772.db2.gz RZWVCQVHXBZMHQ-UHFFFAOYSA-N 1 2 167.256 1.526 10 0 ADAELO COc1c([NH3+])cc(C)c2c1CCN2 74306177 572612495 /nfs/dbraw/zinc/61/24/95/572612495.db2.gz WYMNNVBDQWVQCB-UHFFFAOYSA-N 1 2 178.235 1.554 10 0 ADAELO CC(C)C(=O)Cc1cc[nH+]c(N)c1 69942028 572612657 /nfs/dbraw/zinc/61/26/57/572612657.db2.gz DHNVQKNZBJKTQG-UHFFFAOYSA-N 1 2 178.235 1.431 10 0 ADAELO Cc1nc(N)c2c([nH+]1)CC[C@@H](C)C2 74306946 572612779 /nfs/dbraw/zinc/61/27/79/572612779.db2.gz POKXPSTWPXRNFT-ZCFIWIBFSA-N 1 2 177.251 1.492 10 0 ADAELO CCCC(=O)c1cc(C)c[nH+]c1N 69942909 572613093 /nfs/dbraw/zinc/61/30/93/572613093.db2.gz BSHZWOYKGSZZDW-UHFFFAOYSA-N 1 2 178.235 1.955 10 0 ADAELO Cc1nc(-n2cc[nH+]c2C)oc1N 74306400 572613361 /nfs/dbraw/zinc/61/33/61/572613361.db2.gz JUACALPHZKFWNS-UHFFFAOYSA-N 1 2 178.195 1.059 10 0 ADAELO Cc1nc(N)c2c([nH+]1)CC[C@H](C)C2 74306948 572613415 /nfs/dbraw/zinc/61/34/15/572613415.db2.gz POKXPSTWPXRNFT-LURJTMIESA-N 1 2 177.251 1.492 10 0 ADAELO Nc1cc(CC(=O)C2CC2)cc[nH+]1 69942038 572613710 /nfs/dbraw/zinc/61/37/10/572613710.db2.gz WDEKPBGHDXBTQW-UHFFFAOYSA-N 1 2 176.219 1.185 10 0 ADAELO Cc1cnc(-n2cc(N)[nH+]c2C)o1 74306386 572614058 /nfs/dbraw/zinc/61/40/58/572614058.db2.gz QZJDLUVKICFRKU-UHFFFAOYSA-N 1 2 178.195 1.059 10 0 ADAELO Cc1coc(-n2cc(N)[nH+]c2C)n1 74306385 572614226 /nfs/dbraw/zinc/61/42/26/572614226.db2.gz FVXPGCJLYWVPRD-UHFFFAOYSA-N 1 2 178.195 1.059 10 0 ADAELO Cn1c[nH+]c([C@@H](CCC2CC2)NN)c1 236090963 572615051 /nfs/dbraw/zinc/61/50/51/572615051.db2.gz QDEIDKMCVQFUJC-SECBINFHSA-N 1 2 194.282 1.115 10 0 ADAELO CC(C)(C)C(=O)Cc1cc[nH+]c(N)c1 69942040 572614739 /nfs/dbraw/zinc/61/47/39/572614739.db2.gz BTTICQLBDIRBLO-UHFFFAOYSA-N 1 2 192.262 1.822 10 0 ADAELO O=Cc1sccc1-c1c[nH]c[nH+]1 74306216 572615063 /nfs/dbraw/zinc/61/50/63/572615063.db2.gz CISRLJCSRQPEQE-UHFFFAOYSA-N 1 2 178.216 1.951 10 0 ADAELO Cc1[nH]c(C)c(-c2oncc2N)[nH+]1 74306375 572615082 /nfs/dbraw/zinc/61/50/82/572615082.db2.gz UETBKVFCSLEBFM-UHFFFAOYSA-N 1 2 178.195 1.264 10 0 ADAELO Cn1c[nH+]c(CNCC(F)(F)F)c1 236087771 572615498 /nfs/dbraw/zinc/61/54/98/572615498.db2.gz DVGKVTFKFZPSPN-UHFFFAOYSA-N 1 2 193.172 1.072 10 0 ADAELO Cc1c[nH+]c(N)c(-c2nccn2C)c1 69943261 572615741 /nfs/dbraw/zinc/61/57/41/572615741.db2.gz HFZWPPYIIYDPLZ-UHFFFAOYSA-N 1 2 188.234 1.373 10 0 ADAELO CCC(=O)Cc1ccc[nH+]c1N 69943970 572615906 /nfs/dbraw/zinc/61/59/06/572615906.db2.gz AHCAHMDPIHSOIR-UHFFFAOYSA-N 1 2 164.208 1.185 10 0 ADAELO [NH3+][C@@H]1CCCC[C@@H]1c1cc(=O)[nH]o1 74300947 572617520 /nfs/dbraw/zinc/61/75/20/572617520.db2.gz HHPWDGXSSJKFSS-NKWVEPMBSA-N 1 2 182.223 1.365 10 0 ADAELO Cn1c[nH+]c([C@@H](CC2CCC2)NN)c1 236090882 572616216 /nfs/dbraw/zinc/61/62/16/572616216.db2.gz GHOGNLOCHPUIDZ-SECBINFHSA-N 1 2 194.282 1.115 10 0 ADAELO Cc1c[nH+]c([C@H]2NCCCS2)n1C 713419482 572616228 /nfs/dbraw/zinc/61/62/28/572616228.db2.gz CLHMYDYFSMVJDF-VIFPVBQESA-N 1 2 197.307 1.454 10 0 ADAELO [NH3+]N1CCCC[C@H]1CC(F)(F)F 74301064 572616330 /nfs/dbraw/zinc/61/63/30/572616330.db2.gz KHLQEKCUFGUPKS-LURJTMIESA-N 1 2 182.189 1.667 10 0 ADAELO Cc1nc(N)c2c([nH+]1)CCCS2 74301642 572616515 /nfs/dbraw/zinc/61/65/15/572616515.db2.gz OPLBJDIAOKDIJA-UHFFFAOYSA-N 1 2 181.264 1.406 10 0 ADAELO C[N@@H+]1CCc2c(csc2C=O)C1 74301685 572616581 /nfs/dbraw/zinc/61/65/81/572616581.db2.gz YPWUYSPFDSJNAA-UHFFFAOYSA-N 1 2 181.260 1.549 10 0 ADAELO C[N@H+]1CCc2c(csc2C=O)C1 74301685 572616582 /nfs/dbraw/zinc/61/65/82/572616582.db2.gz YPWUYSPFDSJNAA-UHFFFAOYSA-N 1 2 181.260 1.549 10 0 ADAELO [NH3+]N1CCCC[C@@H]1CC(F)(F)F 74301065 572616599 /nfs/dbraw/zinc/61/65/99/572616599.db2.gz KHLQEKCUFGUPKS-ZCFIWIBFSA-N 1 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713742964 572740982 /nfs/dbraw/zinc/74/09/82/572740982.db2.gz DRADOMFSNRIWMT-RXMQYKEDSA-N 1 2 165.192 1.454 10 0 ADAELO Cc1cc([NH3+])ccc1N[C@@H](C)[C@@H](C)O 307633028 572741119 /nfs/dbraw/zinc/74/11/19/572741119.db2.gz MZEFAJJEUUSKMI-DTWKUNHWSA-N 1 2 194.278 1.758 10 0 ADAELO Cc1cc([NH3+])ccc1N[C@@H](C)[C@H](C)O 307633029 572741628 /nfs/dbraw/zinc/74/16/28/572741628.db2.gz MZEFAJJEUUSKMI-IUCAKERBSA-N 1 2 194.278 1.758 10 0 ADAELO CC[C@@H]([NH2+]C)c1nc2cnccc2[nH]1 70801502 572743245 /nfs/dbraw/zinc/74/32/45/572743245.db2.gz USPMXFHEOWMSAJ-SSDOTTSWSA-N 1 2 190.250 1.628 10 0 ADAELO CC[C@@H]([NH2+]C)c1nc2ccncc2[nH]1 70801502 572743250 /nfs/dbraw/zinc/74/32/50/572743250.db2.gz USPMXFHEOWMSAJ-SSDOTTSWSA-N 1 2 190.250 1.628 10 0 ADAELO CC[C@H]([NH2+]C)c1nc2cnccc2[nH]1 70801501 572745180 /nfs/dbraw/zinc/74/51/80/572745180.db2.gz USPMXFHEOWMSAJ-ZETCQYMHSA-N 1 2 190.250 1.628 10 0 ADAELO CC[C@H]([NH2+]C)c1nc2ccncc2[nH]1 70801501 572745183 /nfs/dbraw/zinc/74/51/83/572745183.db2.gz 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OMRPNNKFEXMWED-XPUUQOCRSA-N 1 2 159.204 1.008 10 0 ADAELO CCC(O)(CC)C[NH+]1CC(F)C1 307956251 572837854 /nfs/dbraw/zinc/83/78/54/572837854.db2.gz RLVAYGURYVZJBD-UHFFFAOYSA-N 1 2 175.247 1.191 10 0 ADAELO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)C(F)F 299895956 572837882 /nfs/dbraw/zinc/83/78/82/572837882.db2.gz KMEMYHMWHWQFEY-XVMARJQXSA-N 1 2 193.237 1.389 10 0 ADAELO CN(C)CC[NH2+]C/C(Cl)=C/Cl 85977363 572838880 /nfs/dbraw/zinc/83/88/80/572838880.db2.gz KXFRSRZYXHHQPK-ALCCZGGFSA-N 1 2 197.109 1.457 10 0 ADAELO C[C@@H](CCCCO)[NH+]1CC(F)C1 307957927 572838974 /nfs/dbraw/zinc/83/89/74/572838974.db2.gz SNOZZOMSOILHIE-QMMMGPOBSA-N 1 2 175.247 1.191 10 0 ADAELO C[C@H](CCCO)[N@H+](C)CC(F)F 307957310 572838983 /nfs/dbraw/zinc/83/89/83/572838983.db2.gz SBZBVMBIKHQJDB-SSDOTTSWSA-N 1 2 181.226 1.344 10 0 ADAELO C[C@H](CCCO)[N@@H+](C)CC(F)F 307957310 572838986 /nfs/dbraw/zinc/83/89/86/572838986.db2.gz SBZBVMBIKHQJDB-SSDOTTSWSA-N 1 2 181.226 1.344 10 0 ADAELO Cc1cccc([C@@H]2CN([NH3+])CCO2)c1 71506178 572839312 /nfs/dbraw/zinc/83/93/12/572839312.db2.gz BCEMQEZTJQAKRO-NSHDSACASA-N 1 2 192.262 1.242 10 0 ADAELO Cc1cccc([C@H]2CN([NH3+])CCO2)c1 71506179 572839331 /nfs/dbraw/zinc/83/93/31/572839331.db2.gz BCEMQEZTJQAKRO-LLVKDONJSA-N 1 2 192.262 1.242 10 0 ADAELO CC(C)(CF)[NH2+]Cc1cocn1 307958091 572840150 /nfs/dbraw/zinc/84/01/50/572840150.db2.gz HVPTZDNRRAFMBU-UHFFFAOYSA-N 1 2 172.203 1.512 10 0 ADAELO Cc1ccc([C@H]2CN([NH3+])CCO2)cc1 71506181 572840360 /nfs/dbraw/zinc/84/03/60/572840360.db2.gz UMINHVGDICEXPF-LLVKDONJSA-N 1 2 192.262 1.242 10 0 ADAELO C[C@H](CCCCO)[NH+]1CC(F)C1 307957926 572840534 /nfs/dbraw/zinc/84/05/34/572840534.db2.gz SNOZZOMSOILHIE-MRVPVSSYSA-N 1 2 175.247 1.191 10 0 ADAELO C[C@@H](CCCO)[N@H+](C)CC(F)F 307957311 572841077 /nfs/dbraw/zinc/84/10/77/572841077.db2.gz SBZBVMBIKHQJDB-ZETCQYMHSA-N 1 2 181.226 1.344 10 0 ADAELO C[C@@H](CCCO)[N@@H+](C)CC(F)F 307957311 572841079 /nfs/dbraw/zinc/84/10/79/572841079.db2.gz SBZBVMBIKHQJDB-ZETCQYMHSA-N 1 2 181.226 1.344 10 0 ADAELO C[C@@H]1[NH2+]Cc2nc(C(F)(F)F)oc21 75405489 572841102 /nfs/dbraw/zinc/84/11/02/572841102.db2.gz YIYNHJTWLWDMOU-VKHMYHEASA-N 1 2 192.140 1.858 10 0 ADAELO CCc1[nH]c(-c2cccnc2)[nH+]c1N 75409692 572841279 /nfs/dbraw/zinc/84/12/79/572841279.db2.gz LTXFJMQVILHWBD-UHFFFAOYSA-N 1 2 188.234 1.616 10 0 ADAELO C[C@H]1[NH2+]Cc2nc(C(F)(F)F)oc21 75405488 572841433 /nfs/dbraw/zinc/84/14/33/572841433.db2.gz YIYNHJTWLWDMOU-GSVOUGTGSA-N 1 2 192.140 1.858 10 0 ADAELO CN1CCNc2c1[nH+]c(C1CC1)n2C 75408956 572841489 /nfs/dbraw/zinc/84/14/89/572841489.db2.gz XERIUOTUIDLPQX-UHFFFAOYSA-N 1 2 192.266 1.159 10 0 ADAELO Cc1ccccc1[C@H]1CN([NH3+])CCO1 71506177 572841620 /nfs/dbraw/zinc/84/16/20/572841620.db2.gz IBQXXIYLORKHBH-LLVKDONJSA-N 1 2 192.262 1.242 10 0 ADAELO C[C@@H]1[NH2+]Cc2nc(C3CC3)oc21 75405501 572841714 /nfs/dbraw/zinc/84/17/14/572841714.db2.gz LOKLMUJMJIGJOL-YFKPBYRVSA-N 1 2 164.208 1.716 10 0 ADAELO CC(C)c1nc2c(o1)[C@@H](C)[NH2+]C2 75405492 572842122 /nfs/dbraw/zinc/84/21/22/572842122.db2.gz OCFQDURYWKYYMO-ZCFIWIBFSA-N 1 2 166.224 1.962 10 0 ADAELO Cc1nc2c(o1)[C@H](C)[NH2+]C2 75405484 572842247 /nfs/dbraw/zinc/84/22/47/572842247.db2.gz YUHZGVGPJRSTQW-BYPYZUCNSA-N 1 2 138.170 1.147 10 0 ADAELO CCc1nc2c(o1)[C@@H](C)[NH2+]C2 75405491 572842259 /nfs/dbraw/zinc/84/22/59/572842259.db2.gz FTDIXBMPSCIJTL-RXMQYKEDSA-N 1 2 152.197 1.401 10 0 ADAELO C[C@H]1[NH2+]Cc2nc(C3CC3)oc21 75405500 572842452 /nfs/dbraw/zinc/84/24/52/572842452.db2.gz LOKLMUJMJIGJOL-RXMQYKEDSA-N 1 2 164.208 1.716 10 0 ADAELO Cc1nc2c(o1)[C@@H](C)[NH2+]C2 75405485 572842593 /nfs/dbraw/zinc/84/25/93/572842593.db2.gz YUHZGVGPJRSTQW-SCSAIBSYSA-N 1 2 138.170 1.147 10 0 ADAELO CCc1nc2c(o1)[C@H](C)[NH2+]C2 75405490 572842721 /nfs/dbraw/zinc/84/27/21/572842721.db2.gz FTDIXBMPSCIJTL-YFKPBYRVSA-N 1 2 152.197 1.401 10 0 ADAELO CC(=O)c1cc(-c2c[nH]c(C)[nH+]2)no1 75405329 572842744 /nfs/dbraw/zinc/84/27/44/572842744.db2.gz OEDKKWQIYYFAIC-UHFFFAOYSA-N 1 2 191.190 1.576 10 0 ADAELO CC(C)c1nc2c(o1)[C@H](C)[NH2+]C2 75405493 572843115 /nfs/dbraw/zinc/84/31/15/572843115.db2.gz OCFQDURYWKYYMO-LURJTMIESA-N 1 2 166.224 1.962 10 0 ADAELO CC(C)(O)c1[nH]c2ccc(N)cc2[nH+]1 50039583 572843705 /nfs/dbraw/zinc/84/37/05/572843705.db2.gz XQRZNMLZMUJFBN-UHFFFAOYSA-N 1 2 191.234 1.373 10 0 ADAELO CC(=O)c1cc(-c2[nH+]c[nH]c2C)no1 75405330 572843708 /nfs/dbraw/zinc/84/37/08/572843708.db2.gz HRGBUVQJUYKYHM-UHFFFAOYSA-N 1 2 191.190 1.576 10 0 ADAELO CCc1[nH]c(-c2ccncc2)[nH+]c1N 75409698 572843719 /nfs/dbraw/zinc/84/37/19/572843719.db2.gz WDLTWZNCXWTPTA-UHFFFAOYSA-N 1 2 188.234 1.616 10 0 ADAELO Cc1cc(C)c2c(c1)SC(=O)[C@H]2[NH3+] 75426273 572844586 /nfs/dbraw/zinc/84/45/86/572844586.db2.gz MDCIWDNQRPNKKU-VIFPVBQESA-N 1 2 193.271 1.936 10 0 ADAELO CCC1(c2nc(C[NH2+]C)no2)CC1 308151731 572845491 /nfs/dbraw/zinc/84/54/91/572845491.db2.gz RGBNHPMFYANUTL-UHFFFAOYSA-N 1 2 181.239 1.231 10 0 ADAELO CC[N@H+](Cn1ccsc1=O)C1CC1 308152676 572845366 /nfs/dbraw/zinc/84/53/66/572845366.db2.gz AAYNFYJOXWSLPY-UHFFFAOYSA-N 1 2 198.291 1.352 10 0 ADAELO CC[N@@H+](Cn1ccsc1=O)C1CC1 308152676 572845371 /nfs/dbraw/zinc/84/53/71/572845371.db2.gz AAYNFYJOXWSLPY-UHFFFAOYSA-N 1 2 198.291 1.352 10 0 ADAELO [NH3+][C@@H]1C(=O)Sc2ccsc21 75426283 572845989 /nfs/dbraw/zinc/84/59/89/572845989.db2.gz MHMCWLYYDQCDPK-BYPYZUCNSA-N 1 2 171.246 1.380 10 0 ADAELO [NH3+][C@H]1C(=O)Sc2ccccc21 75426248 572846599 /nfs/dbraw/zinc/84/65/99/572846599.db2.gz OKVURTIPRNAVOL-SSDOTTSWSA-N 1 2 165.217 1.319 10 0 ADAELO Cc1cc2c(cc1F)SC(=O)[C@H]2[NH3+] 75426268 572846910 /nfs/dbraw/zinc/84/69/10/572846910.db2.gz CNCRNLSIGQQHGR-QMMMGPOBSA-N 1 2 197.234 1.766 10 0 ADAELO CC[NH2+][C@@H](C=C(C)C)c1nnc[nH]1 86057621 572848523 /nfs/dbraw/zinc/84/85/23/572848523.db2.gz PDYRFYSMFJHZQA-QMMMGPOBSA-N 1 2 180.255 1.422 10 0 ADAELO C[C@H](c1cscn1)[N@H+](C)CCO 307959658 572848688 /nfs/dbraw/zinc/84/86/88/572848688.db2.gz VGCJJQDYHRQBHQ-SSDOTTSWSA-N 1 2 186.280 1.128 10 0 ADAELO C[C@H](c1cscn1)[N@@H+](C)CCO 307959658 572848690 /nfs/dbraw/zinc/84/86/90/572848690.db2.gz VGCJJQDYHRQBHQ-SSDOTTSWSA-N 1 2 186.280 1.128 10 0 ADAELO CCC[NH2+][C@H](C=C(C)C)c1nnc[nH]1 86057634 572849235 /nfs/dbraw/zinc/84/92/35/572849235.db2.gz GARNKGBZVZTBKT-SECBINFHSA-N 1 2 194.282 1.812 10 0 ADAELO CC[NH2+][C@H](C=C(C)C)c1nnc[nH]1 86057624 572849308 /nfs/dbraw/zinc/84/93/08/572849308.db2.gz PDYRFYSMFJHZQA-MRVPVSSYSA-N 1 2 180.255 1.422 10 0 ADAELO CCC[NH2+][C@@H](C=C(C)C)c1nnc[nH]1 86057633 572849759 /nfs/dbraw/zinc/84/97/59/572849759.db2.gz GARNKGBZVZTBKT-VIFPVBQESA-N 1 2 194.282 1.812 10 0 ADAELO CCOC[C@H](C)[N@H+](C)CC(F)F 308144819 572850146 /nfs/dbraw/zinc/85/01/46/572850146.db2.gz JGSLETFPPDQHAN-ZETCQYMHSA-N 1 2 181.226 1.608 10 0 ADAELO CCOC[C@H](C)[N@@H+](C)CC(F)F 308144819 572850148 /nfs/dbraw/zinc/85/01/48/572850148.db2.gz JGSLETFPPDQHAN-ZETCQYMHSA-N 1 2 181.226 1.608 10 0 ADAELO CC(C)[C@H](C)[N@H+](C)Cc1cn[nH]n1 308145314 572850169 /nfs/dbraw/zinc/85/01/69/572850169.db2.gz LJLWYEZZMUQFJA-QMMMGPOBSA-N 1 2 182.271 1.281 10 0 ADAELO CC(C)[C@H](C)[N@@H+](C)Cc1cn[nH]n1 308145314 572850175 /nfs/dbraw/zinc/85/01/75/572850175.db2.gz LJLWYEZZMUQFJA-QMMMGPOBSA-N 1 2 182.271 1.281 10 0 ADAELO CCCc1nnc(C[NH+]2CCC2)s1 308153140 572850309 /nfs/dbraw/zinc/85/03/09/572850309.db2.gz AEUPHSZMQZUZFE-UHFFFAOYSA-N 1 2 197.307 1.696 10 0 ADAELO CCOC[C@@H](C)[N@H+](C)CC(F)F 308144818 572850447 /nfs/dbraw/zinc/85/04/47/572850447.db2.gz JGSLETFPPDQHAN-SSDOTTSWSA-N 1 2 181.226 1.608 10 0 ADAELO CCOC[C@@H](C)[N@@H+](C)CC(F)F 308144818 572850450 /nfs/dbraw/zinc/85/04/50/572850450.db2.gz JGSLETFPPDQHAN-SSDOTTSWSA-N 1 2 181.226 1.608 10 0 ADAELO CC(C)[C@@H](C)[N@H+](C)Cc1cn[nH]n1 308145313 572851255 /nfs/dbraw/zinc/85/12/55/572851255.db2.gz LJLWYEZZMUQFJA-MRVPVSSYSA-N 1 2 182.271 1.281 10 0 ADAELO CC(C)[C@@H](C)[N@@H+](C)Cc1cn[nH]n1 308145313 572851259 /nfs/dbraw/zinc/85/12/59/572851259.db2.gz LJLWYEZZMUQFJA-MRVPVSSYSA-N 1 2 182.271 1.281 10 0 ADAELO C/C(=C/c1cn(C)c[nH+]1)[C@H](C)O 307961125 572851568 /nfs/dbraw/zinc/85/15/68/572851568.db2.gz LDAYCYFEFUUCTL-NZGHECTNSA-N 1 2 166.224 1.204 10 0 ADAELO CCN(CC)c1[nH+]cccc1OC 308145542 572851967 /nfs/dbraw/zinc/85/19/67/572851967.db2.gz NSYLREJINAHCFW-UHFFFAOYSA-N 1 2 180.251 1.936 10 0 ADAELO CC(C)(C)c1nc2c(o1)[C@H](O)C[NH2+]C2 75513162 572852147 /nfs/dbraw/zinc/85/21/47/572852147.db2.gz OEYLVUNNAWCZNT-SSDOTTSWSA-N 1 2 196.250 1.109 10 0 ADAELO C/C(=C/c1cn(C)c[nH+]1)[C@@H](C)O 307961126 572852417 /nfs/dbraw/zinc/85/24/17/572852417.db2.gz LDAYCYFEFUUCTL-RBMBQVQZSA-N 1 2 166.224 1.204 10 0 ADAELO CCO[NH2+]CC1CCC(O)CC1 307961149 572852468 /nfs/dbraw/zinc/85/24/68/572852468.db2.gz LEIREPHRAGJVBS-UHFFFAOYSA-N 1 2 173.256 1.079 10 0 ADAELO Cc1coc(C[NH+]2CCOCC2)c1N 257584109 572852543 /nfs/dbraw/zinc/85/25/43/572852543.db2.gz AEKZMXZTTVEDNN-UHFFFAOYSA-N 1 2 196.250 1.002 10 0 ADAELO CC(C)Cc1nc2c(o1)[C@H](O)C[NH2+]C2 75513202 572853184 /nfs/dbraw/zinc/85/31/84/572853184.db2.gz CTTAWDWIIQWGML-MRVPVSSYSA-N 1 2 196.250 1.010 10 0 ADAELO CC(C)(C)c1nc2c(o1)[C@@H](O)C[NH2+]C2 75513164 572853223 /nfs/dbraw/zinc/85/32/23/572853223.db2.gz OEYLVUNNAWCZNT-ZETCQYMHSA-N 1 2 196.250 1.109 10 0 ADAELO CC(C)Cc1nc2c(o1)[C@@H](O)C[NH2+]C2 75513207 572853763 /nfs/dbraw/zinc/85/37/63/572853763.db2.gz CTTAWDWIIQWGML-QMMMGPOBSA-N 1 2 196.250 1.010 10 0 ADAELO COCCCc1cccc(C)[nH+]1 307961579 572854521 /nfs/dbraw/zinc/85/45/21/572854521.db2.gz MAVHQFOQUCLRRV-UHFFFAOYSA-N 1 2 165.236 1.969 10 0 ADAELO CNC(=O)c1ccn2cc(C)[nH+]c2c1 71540778 572855040 /nfs/dbraw/zinc/85/50/40/572855040.db2.gz CHNVFGHNPGORCD-UHFFFAOYSA-N 1 2 189.218 1.002 10 0 ADAELO CC(=O)c1cc2c[nH+]c(C)nc2[nH]1 75461134 572855181 /nfs/dbraw/zinc/85/51/81/572855181.db2.gz HIZJUOWAALJIRD-UHFFFAOYSA-N 1 2 175.191 1.469 10 0 ADAELO CC[C@](C)(C(C)=O)[NH+]1CC(OC)C1 308146918 572855473 /nfs/dbraw/zinc/85/54/73/572855473.db2.gz ONDIULXORRIXMB-SNVBAGLBSA-N 1 2 185.267 1.075 10 0 ADAELO CCCOC(=O)[C@H](C)[NH+]1CCC1 307961394 572855654 /nfs/dbraw/zinc/85/56/54/572855654.db2.gz XGVRONDKDFXCDA-QMMMGPOBSA-N 1 2 171.240 1.034 10 0 ADAELO CC(C)C(=O)c1cc2c[nH+]cnc2[nH]1 75454474 572855944 /nfs/dbraw/zinc/85/59/44/572855944.db2.gz YQAYJILGBQCYBJ-UHFFFAOYSA-N 1 2 189.218 1.797 10 0 ADAELO O=C(c1cc2c[nH+]cnc2[nH]1)C1CC1 75454491 572856159 /nfs/dbraw/zinc/85/61/59/572856159.db2.gz RYBMQCQBBDMGLM-UHFFFAOYSA-N 1 2 187.202 1.551 10 0 ADAELO CC[C@@](C)(C(C)=O)[NH+]1CC(OC)C1 308146917 572856469 /nfs/dbraw/zinc/85/64/69/572856469.db2.gz ONDIULXORRIXMB-JTQLQIEISA-N 1 2 185.267 1.075 10 0 ADAELO CCCOC(=O)[C@@H](C)[NH+]1CCC1 307961392 572856606 /nfs/dbraw/zinc/85/66/06/572856606.db2.gz XGVRONDKDFXCDA-MRVPVSSYSA-N 1 2 171.240 1.034 10 0 ADAELO CCC(=O)c1cc2c[nH+]c(C)nc2[nH]1 75461136 572856760 /nfs/dbraw/zinc/85/67/60/572856760.db2.gz UBIYCIUGMULUFC-UHFFFAOYSA-N 1 2 189.218 1.859 10 0 ADAELO CCC(=O)c1cc2c[nH+]cnc2[nH]1 75454473 572856969 /nfs/dbraw/zinc/85/69/69/572856969.db2.gz UWMDELDQZDFVIN-UHFFFAOYSA-N 1 2 175.191 1.551 10 0 ADAELO Cc1cc(C[NH+]2CCOCC2)oc1N 257584297 572857340 /nfs/dbraw/zinc/85/73/40/572857340.db2.gz FHUGWLPKRQWGEG-UHFFFAOYSA-N 1 2 196.250 1.002 10 0 ADAELO Cc1ccc(C2=NC(=O)N(C)C2[NH3+])[nH]1 257584388 572858320 /nfs/dbraw/zinc/85/83/20/572858320.db2.gz ZZDCZAYTTZSMAN-UHFFFAOYSA-N 1 2 192.222 1.011 10 0 ADAELO CC(=O)[C@H](C)[N@H+](C)Cc1ccoc1 50150991 572858498 /nfs/dbraw/zinc/85/84/98/572858498.db2.gz OTPJSIPTNIFJKN-QMMMGPOBSA-N 1 2 181.235 1.689 10 0 ADAELO CC(=O)[C@H](C)[N@@H+](C)Cc1ccoc1 50150991 572858502 /nfs/dbraw/zinc/85/85/02/572858502.db2.gz OTPJSIPTNIFJKN-QMMMGPOBSA-N 1 2 181.235 1.689 10 0 ADAELO CC[C@H]1[C@@H](C)SCCN1[NH3+] 75544780 572858777 /nfs/dbraw/zinc/85/87/77/572858777.db2.gz WGBJVZOUYXUOLA-RQJHMYQMSA-N 1 2 160.286 1.076 10 0 ADAELO CC[C@@H]1[C@@H](C)SCCN1[NH3+] 75544778 572859011 /nfs/dbraw/zinc/85/90/11/572859011.db2.gz WGBJVZOUYXUOLA-RNFRBKRXSA-N 1 2 160.286 1.076 10 0 ADAELO CC[C@@H]1[C@H](C)SCCN1[NH3+] 75544775 572859273 /nfs/dbraw/zinc/85/92/73/572859273.db2.gz WGBJVZOUYXUOLA-NKWVEPMBSA-N 1 2 160.286 1.076 10 0 ADAELO CC[C@H]1[C@H](C)SCCN1[NH3+] 75544777 572860215 /nfs/dbraw/zinc/86/02/15/572860215.db2.gz WGBJVZOUYXUOLA-BQBZGAKWSA-N 1 2 160.286 1.076 10 0 ADAELO Cc1occ(N)c1C[NH+]1CCOCC1 257585531 572860359 /nfs/dbraw/zinc/86/03/59/572860359.db2.gz NDHWIKMMYVOWGP-UHFFFAOYSA-N 1 2 196.250 1.002 10 0 ADAELO Nc1cc(C[NH+]2CCOCC2)cs1 257585023 572860826 /nfs/dbraw/zinc/86/08/26/572860826.db2.gz IHOIMRXESVHNDO-UHFFFAOYSA-N 1 2 198.291 1.163 10 0 ADAELO CCN(CC)c1[nH]c([NH3+])cc1C(C)=O 75552112 572860941 /nfs/dbraw/zinc/86/09/41/572860941.db2.gz PLWAAZKPJGBBJL-UHFFFAOYSA-N 1 2 195.266 1.646 10 0 ADAELO CCN(CC)c1[nH]c([NH3+])cc1C=O 75551946 572861353 /nfs/dbraw/zinc/86/13/53/572861353.db2.gz MXMHRGYKWDFNPK-UHFFFAOYSA-N 1 2 181.239 1.256 10 0 ADAELO Cc1c(C[NH+]2CCOCC2)coc1N 257584947 572861377 /nfs/dbraw/zinc/86/13/77/572861377.db2.gz GUWCOQNZCRMDNA-UHFFFAOYSA-N 1 2 196.250 1.002 10 0 ADAELO CC[NH+](CC)c1[nH]c(C=O)cc1N 75551729 572861517 /nfs/dbraw/zinc/86/15/17/572861517.db2.gz RASRAWLTLRGCKL-UHFFFAOYSA-N 1 2 181.239 1.256 10 0 ADAELO Cc1c(N)coc1C[NH+]1CCOCC1 257584949 572861524 /nfs/dbraw/zinc/86/15/24/572861524.db2.gz GVBCXXAYPMUGTR-UHFFFAOYSA-N 1 2 196.250 1.002 10 0 ADAELO [NH3+]c1cc(C=O)c(N2CCCCC2)[nH]1 75551938 572861559 /nfs/dbraw/zinc/86/15/59/572861559.db2.gz DFRPEXSLBYCFKJ-UHFFFAOYSA-N 1 2 193.250 1.400 10 0 ADAELO CC[NH+](CC)c1[nH]c(C(C)=O)cc1N 75551786 572861822 /nfs/dbraw/zinc/86/18/22/572861822.db2.gz GJBQOSZQDUUBOL-UHFFFAOYSA-N 1 2 195.266 1.646 10 0 ADAELO [NH3+]c1cc(C=O)c(N2CCCC2)[nH]1 75551940 572861856 /nfs/dbraw/zinc/86/18/56/572861856.db2.gz IJXQYFKILKBJDU-UHFFFAOYSA-N 1 2 179.223 1.010 10 0 ADAELO CC(=O)c1cc([NH3+])[nH]c1N1CCCC1 75552038 572861936 /nfs/dbraw/zinc/86/19/36/572861936.db2.gz XDJDZLHESCHBAD-UHFFFAOYSA-N 1 2 193.250 1.400 10 0 ADAELO CN(C)c1[nH]c([NH3+])cc1C(=O)C1CC1 75552224 572862092 /nfs/dbraw/zinc/86/20/92/572862092.db2.gz OUWQMPLMKQZLBQ-UHFFFAOYSA-N 1 2 193.250 1.256 10 0 ADAELO CC[NH+](CC)c1cc(C=O)c(N)[nH]1 75551887 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87909426 572995016 /nfs/dbraw/zinc/99/50/16/572995016.db2.gz YBBPNLIUASSWEC-UHFFFAOYSA-N 1 2 181.264 1.658 10 0 ADAELO Nc1nc(N)c2c(F)cc(F)cc2[nH+]1 104530890 572995000 /nfs/dbraw/zinc/99/50/00/572995000.db2.gz AYKLHPHDNZRADS-UHFFFAOYSA-N 1 2 196.160 1.072 10 0 ADAELO CCC[C@@]1(C)NC(=O)[C@H]2CCC[N@@H+]21 238240608 572995782 /nfs/dbraw/zinc/99/57/82/572995782.db2.gz FKIHVDGUVARRIS-SCZZXKLOSA-N 1 2 182.267 1.097 10 0 ADAELO CCC[C@@]1(C)NC(=O)[C@H]2CCC[N@H+]21 238240608 572995788 /nfs/dbraw/zinc/99/57/88/572995788.db2.gz FKIHVDGUVARRIS-SCZZXKLOSA-N 1 2 182.267 1.097 10 0 ADAELO CC(=O)c1cnc([C@H]2CCC[N@@H+]2C)o1 257921702 572995916 /nfs/dbraw/zinc/99/59/16/572995916.db2.gz DHNRSCHVVPIQOU-MRVPVSSYSA-N 1 2 194.234 1.644 10 0 ADAELO CC(=O)c1cnc([C@H]2CCC[N@H+]2C)o1 257921702 572995910 /nfs/dbraw/zinc/99/59/10/572995910.db2.gz DHNRSCHVVPIQOU-MRVPVSSYSA-N 1 2 194.234 1.644 10 0 ADAELO CSCc1c[nH+]c2cc(N)ccn12 258468491 572996546 /nfs/dbraw/zinc/99/65/46/572996546.db2.gz 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NNPKDVYIQNBSLJ-QMMMGPOBSA-N 1 2 144.262 1.520 10 0 ADAELO CCCCOC(=O)[C@H](C)[NH+]1CCC1 308222261 573011867 /nfs/dbraw/zinc/01/18/67/573011867.db2.gz LRQYTCKXFNIQFQ-VIFPVBQESA-N 1 2 185.267 1.424 10 0 ADAELO CCc1ccc(CC[C@@H](C)O)[nH+]c1 393497148 573013219 /nfs/dbraw/zinc/01/32/19/573013219.db2.gz IKZYCIQIIPNWRD-SECBINFHSA-N 1 2 179.263 1.957 10 0 ADAELO CCc1ccc(CC[C@H](C)O)[nH+]c1 393497149 573013313 /nfs/dbraw/zinc/01/33/13/573013313.db2.gz IKZYCIQIIPNWRD-VIFPVBQESA-N 1 2 179.263 1.957 10 0 ADAELO COC(=O)c1sc2c[nH+]cn2c1C 259595407 573013530 /nfs/dbraw/zinc/01/35/30/573013530.db2.gz CGKXUUDPAHEKBJ-UHFFFAOYSA-N 1 2 196.231 1.491 10 0 ADAELO CNc1cc(F)cc[nH+]1 113657597 573013683 /nfs/dbraw/zinc/01/36/83/573013683.db2.gz IPJOPPLKZMQQSZ-UHFFFAOYSA-N 1 2 126.134 1.262 10 0 ADAELO CCCC1(CCC)NC(=O)[C@H](C)[NH2+]1 308223350 573014695 /nfs/dbraw/zinc/01/46/95/573014695.db2.gz MBWGGQQCCDBLNG-QMMMGPOBSA-N 1 2 184.283 1.391 10 0 ADAELO CCCCc1ccnc(NN)[nH+]1 104559912 573014836 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Cc1cccc([C@@H]2CC(N)=[NH+]O2)c1 257936046 573045101 /nfs/dbraw/zinc/04/51/01/573045101.db2.gz UHXQRHJUYJYZHP-VIFPVBQESA-N 1 2 176.219 1.729 10 0 ADAELO CCOC(=O)C1(c2c[nH+]c[nH]2)CC1 259600027 573046112 /nfs/dbraw/zinc/04/61/12/573046112.db2.gz CTRRROWGNODRMQ-UHFFFAOYSA-N 1 2 180.207 1.004 10 0 ADAELO CCOC(=O)C1(c2c[nH]c[nH+]2)CC1 259600027 573046120 /nfs/dbraw/zinc/04/61/20/573046120.db2.gz CTRRROWGNODRMQ-UHFFFAOYSA-N 1 2 180.207 1.004 10 0 ADAELO CCCN1C=CS[C@@H]1[NH3+] 104588460 573046682 /nfs/dbraw/zinc/04/66/82/573046682.db2.gz PJPASMRVPBDRSV-ZCFIWIBFSA-N 1 2 144.243 1.159 10 0 ADAELO CC(C)[N@@H+]1CCCC[C@H]1ON 257935642 573047078 /nfs/dbraw/zinc/04/70/78/573047078.db2.gz LCCYBIARBADKTO-MRVPVSSYSA-N 1 2 158.245 1.097 10 0 ADAELO CC(C)[N@H+]1CCCC[C@H]1ON 257935642 573047082 /nfs/dbraw/zinc/04/70/82/573047082.db2.gz LCCYBIARBADKTO-MRVPVSSYSA-N 1 2 158.245 1.097 10 0 ADAELO c1ccc(-c2nc3c(o2)C[NH2+]C3)nc1 113981931 573047290 /nfs/dbraw/zinc/04/72/90/573047290.db2.gz 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573143375 /nfs/dbraw/zinc/14/33/75/573143375.db2.gz DIOWKQLLJOLWOU-YFKPBYRVSA-N 1 2 179.310 1.304 10 0 ADAELO COC(=O)Cc1cccc2[nH+]ccn12 89201208 573143380 /nfs/dbraw/zinc/14/33/80/573143380.db2.gz GTHFRBPECMMCRY-UHFFFAOYSA-N 1 2 190.202 1.050 10 0 ADAELO C[NH2+][C@H](c1c[nH]nn1)[C@H](C)CC(C)C 308503863 573143843 /nfs/dbraw/zinc/14/38/43/573143843.db2.gz XWXAHUSPXOZNMG-SCZZXKLOSA-N 1 2 196.298 1.747 10 0 ADAELO C[NH2+][C@H](c1cn[nH]n1)[C@H](C)CC(C)C 308503863 573143849 /nfs/dbraw/zinc/14/38/49/573143849.db2.gz XWXAHUSPXOZNMG-SCZZXKLOSA-N 1 2 196.298 1.747 10 0 ADAELO C[C@@H](O)[C@H]([NH3+])c1ccc(S)cc1 104664681 573143958 /nfs/dbraw/zinc/14/39/58/573143958.db2.gz UJTNOVQMJDFINX-MUWHJKNJSA-N 1 2 183.276 1.356 10 0 ADAELO C[C@@]([NH3+])(CO)c1ccc(S)cc1 104664692 573144146 /nfs/dbraw/zinc/14/41/46/573144146.db2.gz IDWAQTIKCCGSQF-SECBINFHSA-N 1 2 183.276 1.142 10 0 ADAELO CCc1c(C)cc(CO)[nH+]c1C 238290503 573144157 /nfs/dbraw/zinc/14/41/57/573144157.db2.gz DUWDQQGPABVELE-UHFFFAOYSA-N 1 2 165.236 1.753 10 0 ADAELO C[C@]([NH3+])(CO)c1ccc(S)cc1 104664695 573144222 /nfs/dbraw/zinc/14/42/22/573144222.db2.gz IDWAQTIKCCGSQF-VIFPVBQESA-N 1 2 183.276 1.142 10 0 ADAELO CC(=O)[C@H]([NH3+])c1ccc(S)cc1 104665407 573144304 /nfs/dbraw/zinc/14/43/04/573144304.db2.gz OIBSFVDONPOZAL-VIFPVBQESA-N 1 2 181.260 1.564 10 0 ADAELO Nc1[nH+]cccc1C1(O)CCC1 85754513 573144400 /nfs/dbraw/zinc/14/44/00/573144400.db2.gz BGFHIXATEXGJND-UHFFFAOYSA-N 1 2 164.208 1.035 10 0 ADAELO CC(=O)[C@H]([NH3+])c1ccc(Cl)cn1 104662856 573144526 /nfs/dbraw/zinc/14/45/26/573144526.db2.gz WXBKIUJODQVCJN-QMMMGPOBSA-N 1 2 184.626 1.324 10 0 ADAELO CC(=O)[C@@H]([NH3+])c1ccc(F)c(O)c1 104662834 573144605 /nfs/dbraw/zinc/14/46/05/573144605.db2.gz WDRPCDWLMKLWEE-SECBINFHSA-N 1 2 183.182 1.120 10 0 ADAELO CC(=O)[C@@H]([NH3+])c1ccc(Cl)cn1 104662858 573144696 /nfs/dbraw/zinc/14/46/96/573144696.db2.gz WXBKIUJODQVCJN-MRVPVSSYSA-N 1 2 184.626 1.324 10 0 ADAELO CC(=O)[C@H]([NH3+])c1cc(O)cc(F)c1 104662839 573144780 /nfs/dbraw/zinc/14/47/80/573144780.db2.gz FQDVMVBHZGBGCT-VIFPVBQESA-N 1 2 183.182 1.120 10 0 ADAELO OC[C@H](CNc1cccc[nH+]1)C1CC1 308503616 573144944 /nfs/dbraw/zinc/14/49/44/573144944.db2.gz BYDMDFFSTYPNBL-JTQLQIEISA-N 1 2 192.262 1.512 10 0 ADAELO CCOC(=[NH2+])C1(OC)CCCC1 128927239 573144954 /nfs/dbraw/zinc/14/49/54/573144954.db2.gz ZQHPDXKBFQAFTG-UHFFFAOYSA-N 1 2 171.240 1.959 10 0 ADAELO COC[C@@H]([NH3+])c1ccccc1S 104665213 573145104 /nfs/dbraw/zinc/14/51/04/573145104.db2.gz ZRCHQNWILWXPEN-MRVPVSSYSA-N 1 2 183.276 1.622 10 0 ADAELO CC(=O)[C@H]([NH3+])c1ccc(F)c(O)c1 104662830 573145184 /nfs/dbraw/zinc/14/51/84/573145184.db2.gz WDRPCDWLMKLWEE-VIFPVBQESA-N 1 2 183.182 1.120 10 0 ADAELO Cc1cnc(Cl)nc1-n1cc[nH+]c1 85788496 573145577 /nfs/dbraw/zinc/14/55/77/573145577.db2.gz MCKZYZWFFFRLRS-UHFFFAOYSA-N 1 2 194.625 1.624 10 0 ADAELO C[N@H+](C/C=C/Cl)Cc1cnccn1 308503596 573145817 /nfs/dbraw/zinc/14/58/17/573145817.db2.gz YDMXTRRIACEMHP-NSCUHMNNSA-N 1 2 197.669 1.661 10 0 ADAELO C[N@@H+](C/C=C/Cl)Cc1cnccn1 308503596 573145825 /nfs/dbraw/zinc/14/58/25/573145825.db2.gz YDMXTRRIACEMHP-NSCUHMNNSA-N 1 2 197.669 1.661 10 0 ADAELO [NH3+][C@@H]1COc2cc(S)ccc21 104665922 573145961 /nfs/dbraw/zinc/14/59/61/573145961.db2.gz YCSOFNSFPLAERM-SSDOTTSWSA-N 1 2 167.233 1.368 10 0 ADAELO OC[C@@H](CNc1cccc[nH+]1)C1CC1 308503617 573146110 /nfs/dbraw/zinc/14/61/10/573146110.db2.gz BYDMDFFSTYPNBL-SNVBAGLBSA-N 1 2 192.262 1.512 10 0 ADAELO Cc1ccc(C(=O)C[NH+](C)C)nc1 238290634 573146173 /nfs/dbraw/zinc/14/61/73/573146173.db2.gz GOBSSHZTYFIBMQ-UHFFFAOYSA-N 1 2 178.235 1.134 10 0 ADAELO CC(=O)[C@@H]([NH3+])c1ccc(S)cc1 104665409 573146282 /nfs/dbraw/zinc/14/62/82/573146282.db2.gz OIBSFVDONPOZAL-SECBINFHSA-N 1 2 181.260 1.564 10 0 ADAELO Cc1cn(-c2cc(F)ccc2N)c[nH+]1 114943112 573146308 /nfs/dbraw/zinc/14/63/08/573146308.db2.gz PCQQUKQRHVNPGU-UHFFFAOYSA-N 1 2 191.209 1.902 10 0 ADAELO C[C@H](O)[C@H]([NH3+])c1ccc(S)cc1 104664679 573146508 /nfs/dbraw/zinc/14/65/08/573146508.db2.gz UJTNOVQMJDFINX-RCOVLWMOSA-N 1 2 183.276 1.356 10 0 ADAELO C[N@@H+]1CCO[C@H](C(=O)CC2CCC2)C1 85792798 573147060 /nfs/dbraw/zinc/14/70/60/573147060.db2.gz HVYQYIJVPACIKB-NSHDSACASA-N 1 2 197.278 1.076 10 0 ADAELO C[N@H+]1CCO[C@H](C(=O)CC2CCC2)C1 85792798 573147081 /nfs/dbraw/zinc/14/70/81/573147081.db2.gz HVYQYIJVPACIKB-NSHDSACASA-N 1 2 197.278 1.076 10 0 ADAELO [NH3+][C@@H]1CCc2ccc(S)cc21 104664729 573147117 /nfs/dbraw/zinc/14/71/17/573147117.db2.gz RUODCVPEUZIAEQ-SECBINFHSA-N 1 2 165.261 1.921 10 0 ADAELO Cc1nc(C[NH+](C)C)nc(Cl)c1C 85792338 573147123 /nfs/dbraw/zinc/14/71/23/573147123.db2.gz BWHZEMSMFBJSPF-UHFFFAOYSA-N 1 2 199.685 1.808 10 0 ADAELO [NH3+]c1cc2c3c(c1)CCN3CC2 258550798 573147385 /nfs/dbraw/zinc/14/73/85/573147385.db2.gz PIVBSODKSICTAS-UHFFFAOYSA-N 1 2 160.220 1.187 10 0 ADAELO CC(=O)[C@@H]([NH3+])c1ccncc1Cl 104665452 573147424 /nfs/dbraw/zinc/14/74/24/573147424.db2.gz OGMQTRLXOJKQFP-MRVPVSSYSA-N 1 2 184.626 1.324 10 0 ADAELO CC(=O)[C@@H]([NH3+])c1cc(O)cc(F)c1 104662841 573147703 /nfs/dbraw/zinc/14/77/03/573147703.db2.gz FQDVMVBHZGBGCT-SECBINFHSA-N 1 2 183.182 1.120 10 0 ADAELO C[N@@H+]1CCO[C@@H](C(=O)CC2CCC2)C1 85792800 573148005 /nfs/dbraw/zinc/14/80/05/573148005.db2.gz HVYQYIJVPACIKB-LLVKDONJSA-N 1 2 197.278 1.076 10 0 ADAELO C[N@H+]1CCO[C@@H](C(=O)CC2CCC2)C1 85792800 573148009 /nfs/dbraw/zinc/14/80/09/573148009.db2.gz HVYQYIJVPACIKB-LLVKDONJSA-N 1 2 197.278 1.076 10 0 ADAELO N#CNC(=[NH2+])C1CCCCC1 82664234 573148575 /nfs/dbraw/zinc/14/85/75/573148575.db2.gz IKFICPRVLYJKEA-UHFFFAOYSA-N 1 2 151.213 1.615 10 0 ADAELO CNc1cc(-n2cc[nH+]c2)ccc1N 114947372 573148695 /nfs/dbraw/zinc/14/86/95/573148695.db2.gz FCUQXKYGQQOQGS-UHFFFAOYSA-N 1 2 188.234 1.496 10 0 ADAELO [NH3+][C@H]1CCc2cc(S)ccc2C1 104666008 573148984 /nfs/dbraw/zinc/14/89/84/573148984.db2.gz KDXBHZWBQTVLDX-VIFPVBQESA-N 1 2 179.288 1.791 10 0 ADAELO COC[C@H]([NH3+])c1ccc(S)cc1 104667588 573149184 /nfs/dbraw/zinc/14/91/84/573149184.db2.gz JIWSKVAIMMZZKG-VIFPVBQESA-N 1 2 183.276 1.622 10 0 ADAELO CC(=O)[C@H]([NH3+])c1ccc(O)cc1F 104667801 573149583 /nfs/dbraw/zinc/14/95/83/573149583.db2.gz OVZHMHAPRYXGHQ-VIFPVBQESA-N 1 2 183.182 1.120 10 0 ADAELO CC(=O)[C@H]([NH3+])c1ncccc1Cl 104668761 573149648 /nfs/dbraw/zinc/14/96/48/573149648.db2.gz ANSMMLHJKJOUMZ-ZETCQYMHSA-N 1 2 184.626 1.324 10 0 ADAELO COCc1cccc2c(N)[nH+]ccc12 123721124 573149719 /nfs/dbraw/zinc/14/97/19/573149719.db2.gz HSCCAXRWUDWKPY-UHFFFAOYSA-N 1 2 188.230 1.963 10 0 ADAELO C[NH+](C)Cc1nccc(Cl)n1 85792332 573150449 /nfs/dbraw/zinc/15/04/49/573150449.db2.gz DQIWILIMUSWONS-UHFFFAOYSA-N 1 2 171.631 1.192 10 0 ADAELO C[C@H](O)[C@@H]([NH3+])c1ccccc1S 104668840 573150503 /nfs/dbraw/zinc/15/05/03/573150503.db2.gz JOZXQJUTGMOFLA-IMTBSYHQSA-N 1 2 183.276 1.356 10 0 ADAELO CC(=O)[C@@H]([NH3+])c1cccc(Cl)n1 104668770 573150674 /nfs/dbraw/zinc/15/06/74/573150674.db2.gz RBDXTGGBCKZQJI-MRVPVSSYSA-N 1 2 184.626 1.324 10 0 ADAELO [NH3+][C@H]1CCOc2ccc(S)cc21 104668999 573150723 /nfs/dbraw/zinc/15/07/23/573150723.db2.gz XSFFTKKLXUHSKR-QMMMGPOBSA-N 1 2 181.260 1.758 10 0 ADAELO [NH3+][C@H]1CCc2ccc(S)cc21 104668161 573151339 /nfs/dbraw/zinc/15/13/39/573151339.db2.gz RUODCVPEUZIAEQ-VIFPVBQESA-N 1 2 165.261 1.921 10 0 ADAELO C[NH2+][C@H](c1c[nH]nn1)[C@@H](C)CC(C)C 308503865 573151610 /nfs/dbraw/zinc/15/16/10/573151610.db2.gz XWXAHUSPXOZNMG-WPRPVWTQSA-N 1 2 196.298 1.747 10 0 ADAELO C[NH2+][C@H](c1cn[nH]n1)[C@@H](C)CC(C)C 308503865 573151617 /nfs/dbraw/zinc/15/16/17/573151617.db2.gz XWXAHUSPXOZNMG-WPRPVWTQSA-N 1 2 196.298 1.747 10 0 ADAELO [NH3+][C@@H]1CCc2cc(S)ccc21 104667118 573151749 /nfs/dbraw/zinc/15/17/49/573151749.db2.gz AWTOLIAGWKNAII-SECBINFHSA-N 1 2 165.261 1.921 10 0 ADAELO Cc1ccncc1C(=O)C[NH+](C)C 85793171 573152156 /nfs/dbraw/zinc/15/21/56/573152156.db2.gz QGKUXGQGLKLIJE-UHFFFAOYSA-N 1 2 178.235 1.134 10 0 ADAELO CC(=O)[C@@H]([NH3+])c1ncccc1Cl 104668765 573152161 /nfs/dbraw/zinc/15/21/61/573152161.db2.gz ANSMMLHJKJOUMZ-SSDOTTSWSA-N 1 2 184.626 1.324 10 0 ADAELO CC(=O)[C@H]([NH3+])c1cc(C)oc1C 104666711 573152224 /nfs/dbraw/zinc/15/22/24/573152224.db2.gz WLEKCGHIVACNTB-VIFPVBQESA-N 1 2 167.208 1.485 10 0 ADAELO Cc1ncc2c(c1O)[C@H]([NH+](C)C)OC2 238291388 573152252 /nfs/dbraw/zinc/15/22/52/573152252.db2.gz XSKBJVBUEYJYQT-SNVBAGLBSA-N 1 2 194.234 1.186 10 0 ADAELO C[N@@H+]1CCO[C@H](C(=O)C2CCCC2)C1 85792801 573152789 /nfs/dbraw/zinc/15/27/89/573152789.db2.gz ZMJBKXQDVXNXPQ-JTQLQIEISA-N 1 2 197.278 1.076 10 0 ADAELO C[N@H+]1CCO[C@H](C(=O)C2CCCC2)C1 85792801 573152797 /nfs/dbraw/zinc/15/27/97/573152797.db2.gz ZMJBKXQDVXNXPQ-JTQLQIEISA-N 1 2 197.278 1.076 10 0 ADAELO COC[C@@H]([NH3+])c1ccc(S)cc1 104666991 573152855 /nfs/dbraw/zinc/15/28/55/573152855.db2.gz JIWSKVAIMMZZKG-SECBINFHSA-N 1 2 183.276 1.622 10 0 ADAELO CC(=O)[C@@H]([NH3+])c1ccc(O)cc1F 104667805 573153078 /nfs/dbraw/zinc/15/30/78/573153078.db2.gz OVZHMHAPRYXGHQ-SECBINFHSA-N 1 2 183.182 1.120 10 0 ADAELO C[C@H]1C[C@@H]1C(=O)OCc1c[nH]c[nH+]1 308284553 573153408 /nfs/dbraw/zinc/15/34/08/573153408.db2.gz YISWRZHBEMDHII-XPUUQOCRSA-N 1 2 180.207 1.109 10 0 ADAELO C[C@H]1C[C@@H]1C(=O)OCc1c[nH+]c[nH]1 308284553 573153415 /nfs/dbraw/zinc/15/34/15/573153415.db2.gz YISWRZHBEMDHII-XPUUQOCRSA-N 1 2 180.207 1.109 10 0 ADAELO CCc1occc1[C@H]([NH3+])C(C)=O 104668787 573153931 /nfs/dbraw/zinc/15/39/31/573153931.db2.gz PATWYPFUYOLZBU-SECBINFHSA-N 1 2 167.208 1.431 10 0 ADAELO CCc1[nH]c(CO)[nH+]c1C1CC1 258481693 573154043 /nfs/dbraw/zinc/15/40/43/573154043.db2.gz JDVNTMVQAMRMSN-UHFFFAOYSA-N 1 2 166.224 1.342 10 0 ADAELO CCc1[nH+]c(CO)[nH]c1C1CC1 258481693 573154050 /nfs/dbraw/zinc/15/40/50/573154050.db2.gz JDVNTMVQAMRMSN-UHFFFAOYSA-N 1 2 166.224 1.342 10 0 ADAELO CC(=O)[C@@H]([NH3+])c1cc(C)oc1C 104666706 573154347 /nfs/dbraw/zinc/15/43/47/573154347.db2.gz WLEKCGHIVACNTB-SECBINFHSA-N 1 2 167.208 1.485 10 0 ADAELO CCCCCC(=O)[C@@H]1C[N@H+](C)CCO1 85792741 573154409 /nfs/dbraw/zinc/15/44/09/573154409.db2.gz RBZOUSYYZXRQNR-NSHDSACASA-N 1 2 199.294 1.466 10 0 ADAELO CCCCCC(=O)[C@@H]1C[N@@H+](C)CCO1 85792741 573154416 /nfs/dbraw/zinc/15/44/16/573154416.db2.gz RBZOUSYYZXRQNR-NSHDSACASA-N 1 2 199.294 1.466 10 0 ADAELO CCc1cc(Cl)nc(C[NH+](C)C)n1 85792319 573154738 /nfs/dbraw/zinc/15/47/38/573154738.db2.gz RBEQHNKYJBWVGI-UHFFFAOYSA-N 1 2 199.685 1.754 10 0 ADAELO CC(C)[C@@](C)([NH3+])C(F)(F)F 82670670 573155517 /nfs/dbraw/zinc/15/55/17/573155517.db2.gz VSODICLXRHCYDD-RXMQYKEDSA-N 1 2 155.163 1.922 10 0 ADAELO CCc1cc(NC)nc(C[NH+](C)C)n1 85801108 573155777 /nfs/dbraw/zinc/15/57/77/573155777.db2.gz PJNZTHPKNVUEAU-UHFFFAOYSA-N 1 2 194.282 1.142 10 0 ADAELO CC(C)[C@](C)([NH3+])C(F)(F)F 82670667 573155892 /nfs/dbraw/zinc/15/58/92/573155892.db2.gz VSODICLXRHCYDD-YFKPBYRVSA-N 1 2 155.163 1.922 10 0 ADAELO CC(=O)[C@H]([NH3+])c1cccnc1Cl 104670201 573156019 /nfs/dbraw/zinc/15/60/19/573156019.db2.gz NALOOQKNINSCNT-ZETCQYMHSA-N 1 2 184.626 1.324 10 0 ADAELO Nc1ccc(CC2([NH3+])CC2)cc1S 259345390 573156704 /nfs/dbraw/zinc/15/67/04/573156704.db2.gz YIJJMHFUHYEPPU-UHFFFAOYSA-N 1 2 194.303 1.591 10 0 ADAELO C[C@@H]1C[C@H]1C(=O)OCc1c[nH]c[nH+]1 308284539 573156790 /nfs/dbraw/zinc/15/67/90/573156790.db2.gz YISWRZHBEMDHII-HTRCEHHLSA-N 1 2 180.207 1.109 10 0 ADAELO C[C@@H]1C[C@H]1C(=O)OCc1c[nH+]c[nH]1 308284539 573156812 /nfs/dbraw/zinc/15/68/12/573156812.db2.gz YISWRZHBEMDHII-HTRCEHHLSA-N 1 2 180.207 1.109 10 0 ADAELO CCc1cccnc1[C@H]([NH3+])C(C)=O 104670958 573156855 /nfs/dbraw/zinc/15/68/55/573156855.db2.gz WDXIPDFVERDHST-SECBINFHSA-N 1 2 178.235 1.233 10 0 ADAELO CCNc1cc(C)nc(C[NH+](C)C)n1 85801077 573157491 /nfs/dbraw/zinc/15/74/91/573157491.db2.gz HXBWWMAAKYEPDP-UHFFFAOYSA-N 1 2 194.282 1.278 10 0 ADAELO C[NH+](C)C/C(Cl)=C/Cl 238293278 573157834 /nfs/dbraw/zinc/15/78/34/573157834.db2.gz WEYLLKXXBUTMAG-HYXAFXHYSA-N 1 2 154.040 1.867 10 0 ADAELO CC(=O)[C@@H]([NH3+])c1ccc(F)c(C)n1 104670180 573158228 /nfs/dbraw/zinc/15/82/28/573158228.db2.gz WXDNJFLWWQJEPO-SECBINFHSA-N 1 2 182.198 1.118 10 0 ADAELO CC[C@H](c1c[nH+]c[nH]1)[C@@H]1COC(=O)C1 238293845 573158417 /nfs/dbraw/zinc/15/84/17/573158417.db2.gz YKDUZGYVZFOQDH-YUMQZZPRSA-N 1 2 194.234 1.466 10 0 ADAELO CC[C@H](c1c[nH]c[nH+]1)[C@@H]1COC(=O)C1 238293845 573158424 /nfs/dbraw/zinc/15/84/24/573158424.db2.gz YKDUZGYVZFOQDH-YUMQZZPRSA-N 1 2 194.234 1.466 10 0 ADAELO [NH3+][C@H]1COc2ccc(S)cc21 104672167 573158432 /nfs/dbraw/zinc/15/84/32/573158432.db2.gz CHLDVPUFUXDTFQ-ZETCQYMHSA-N 1 2 167.233 1.368 10 0 ADAELO CNc1nc(C[NH+](C)C)nc(C)c1C 85801152 573158436 /nfs/dbraw/zinc/15/84/36/573158436.db2.gz XGRJAIKLGNJDIL-UHFFFAOYSA-N 1 2 194.282 1.197 10 0 ADAELO CC(C)(C)Cc1[nH]c(CO)c[nH+]1 82675134 573159937 /nfs/dbraw/zinc/15/99/37/573159937.db2.gz KPWANMAZMAXNKO-UHFFFAOYSA-N 1 2 168.240 1.491 10 0 ADAELO CC(C)(C)Cc1[nH]cc(CO)[nH+]1 82675134 573159943 /nfs/dbraw/zinc/15/99/43/573159943.db2.gz KPWANMAZMAXNKO-UHFFFAOYSA-N 1 2 168.240 1.491 10 0 ADAELO CC(=O)[C@H]([NH3+])c1ccc(F)c(C)n1 104670185 573159006 /nfs/dbraw/zinc/15/90/06/573159006.db2.gz WXDNJFLWWQJEPO-VIFPVBQESA-N 1 2 182.198 1.118 10 0 ADAELO [NH3+][C@@H]1CCc2c(S)cccc2C1 104670349 573159082 /nfs/dbraw/zinc/15/90/82/573159082.db2.gz RYAVSIHCCBMHCE-MRVPVSSYSA-N 1 2 179.288 1.791 10 0 ADAELO Nc1ncc(C[NH2+]Cc2ccco2)o1 308510969 573159229 /nfs/dbraw/zinc/15/92/29/573159229.db2.gz KVTJHGYVMZCSSL-UHFFFAOYSA-N 1 2 193.206 1.140 10 0 ADAELO CC(=O)[C@H]([NH3+])c1cc(Cl)ccn1 104670966 573159851 /nfs/dbraw/zinc/15/98/51/573159851.db2.gz LKUQWASWYPYENV-QMMMGPOBSA-N 1 2 184.626 1.324 10 0 ADAELO Cc1ccsc1C(=O)C[NH+](C)C 82707460 573160417 /nfs/dbraw/zinc/16/04/17/573160417.db2.gz WFKOYARZYJLGBM-UHFFFAOYSA-N 1 2 183.276 1.801 10 0 ADAELO CC(=O)[C@@H]([NH3+])c1cccnc1Cl 104670203 573161305 /nfs/dbraw/zinc/16/13/05/573161305.db2.gz NALOOQKNINSCNT-SSDOTTSWSA-N 1 2 184.626 1.324 10 0 ADAELO CCc1cccnc1[C@@H]([NH3+])C(C)=O 104670961 573161205 /nfs/dbraw/zinc/16/12/05/573161205.db2.gz WDXIPDFVERDHST-VIFPVBQESA-N 1 2 178.235 1.233 10 0 ADAELO Oc1ccc2c(c1)[C@H]1C[C@H]1C[NH2+]2 258562184 573161817 /nfs/dbraw/zinc/16/18/17/573161817.db2.gz 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197.278 1.472 10 0 ADAELO CO[C@@H](c1cccs1)[NH+](C)C 259352073 573171300 /nfs/dbraw/zinc/17/13/00/573171300.db2.gz ZYQXZEPZCJMLIN-QMMMGPOBSA-N 1 2 171.265 1.955 10 0 ADAELO C[NH2+][C@@H](C)c1cc(C=O)ccc1O 257957731 573171578 /nfs/dbraw/zinc/17/15/78/573171578.db2.gz XCOCUIMLZTWGAP-ZETCQYMHSA-N 1 2 179.219 1.485 10 0 ADAELO C[NH+](C)CC(=O)c1ccccc1N 104676713 573171676 /nfs/dbraw/zinc/17/16/76/573171676.db2.gz NIGDXPOXYJATTH-UHFFFAOYSA-N 1 2 178.235 1.013 10 0 ADAELO COCC[C@@H](O)c1c[nH+]ccc1OC 308508712 573171744 /nfs/dbraw/zinc/17/17/44/573171744.db2.gz QWZLGNRIONBNDY-SECBINFHSA-N 1 2 197.234 1.160 10 0 ADAELO CC1(C)[NH2+]C[C@H](F)C1(F)F 258565586 573171778 /nfs/dbraw/zinc/17/17/78/573171778.db2.gz RDZZZKVBKMTPRQ-BYPYZUCNSA-N 1 2 153.147 1.342 10 0 ADAELO C[C@]([NH3+])(c1n[nH]c(C2CC2)n1)C1CC1 82757473 573171890 /nfs/dbraw/zinc/17/18/90/573171890.db2.gz DLKVDMXPQGGEHG-SNVBAGLBSA-N 1 2 192.266 1.266 10 0 ADAELO COc1cccc(C)c1[C@@H]([NH3+])C(C)=O 104677374 573172101 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10 0 ADAELO CC(=O)[C@@H]([NH3+])c1cc(O)ccc1F 104676981 573173780 /nfs/dbraw/zinc/17/37/80/573173780.db2.gz KXIVBDYSSZLMKW-SECBINFHSA-N 1 2 183.182 1.120 10 0 ADAELO NC(=[NH2+])c1ccc2ccccc2c1O 115258463 573173331 /nfs/dbraw/zinc/17/33/31/573173331.db2.gz XNONHUBNQKPICE-UHFFFAOYSA-N 1 2 186.214 1.829 10 0 ADAELO CC(C)c1nc([C@](C)([NH3+])C2CC2)n[nH]1 82757468 573173647 /nfs/dbraw/zinc/17/36/47/573173647.db2.gz LKNJIPCIIOGMTB-SNVBAGLBSA-N 1 2 194.282 1.512 10 0 ADAELO CCc1[nH+]c(CC(C)=O)[nH]c1C 258568619 573174443 /nfs/dbraw/zinc/17/44/43/573174443.db2.gz NCYKRWPVKYRKOY-UHFFFAOYSA-N 1 2 166.224 1.412 10 0 ADAELO CCc1[nH]c(CC(C)=O)[nH+]c1C 258568619 573174445 /nfs/dbraw/zinc/17/44/45/573174445.db2.gz NCYKRWPVKYRKOY-UHFFFAOYSA-N 1 2 166.224 1.412 10 0 ADAELO CCOc1cccc2c1N[C@H]([NH3+])S2 238303816 573174509 /nfs/dbraw/zinc/17/45/09/573174509.db2.gz QDHOSIKKOYDBAL-VIFPVBQESA-N 1 2 196.275 1.845 10 0 ADAELO C[NH2+][C@@H](NN)c1ccc(C(C)C)cc1 259355237 573174570 /nfs/dbraw/zinc/17/45/70/573174570.db2.gz UBRVPVLLSXRGNU-NSHDSACASA-N 1 2 193.294 1.491 10 0 ADAELO CC[C@H]([NH2+]N)C1CCC(OC)CC1 686351741 573174692 /nfs/dbraw/zinc/17/46/92/573174692.db2.gz SZYYIRPLQOQZJM-RTBKNWGFSA-N 1 2 186.299 1.434 10 0 ADAELO CC(=O)[C@@H]([NH3+])c1cccc2c1OCO2 104677322 573174914 /nfs/dbraw/zinc/17/49/14/573174914.db2.gz ONFRKWMNXFYLGV-SECBINFHSA-N 1 2 193.202 1.004 10 0 ADAELO CC(=O)[C@H]([NH3+])c1cccc2c1OCO2 104677320 573175185 /nfs/dbraw/zinc/17/51/85/573175185.db2.gz ONFRKWMNXFYLGV-VIFPVBQESA-N 1 2 193.202 1.004 10 0 ADAELO CCCc1c[nH+]c(N)c(CO)c1 259602891 573175374 /nfs/dbraw/zinc/17/53/74/573175374.db2.gz DEBPBOGDGJNLCC-UHFFFAOYSA-N 1 2 166.224 1.109 10 0 ADAELO CCn1c[nH+]c2cc(O)c(F)cc21 238304181 573175249 /nfs/dbraw/zinc/17/52/49/573175249.db2.gz HTVADRHNFYWRND-UHFFFAOYSA-N 1 2 180.182 1.901 10 0 ADAELO C[C@H](CO)c1cccc2[nH+]cn(C)c12 257960350 573175281 /nfs/dbraw/zinc/17/52/81/573175281.db2.gz BSPDRIVFUBIKDN-MRVPVSSYSA-N 1 2 190.246 1.669 10 0 ADAELO CC(C)[C@H](C[NH3+])c1n[nH]c(=S)o1 259353066 573175562 /nfs/dbraw/zinc/17/55/62/573175562.db2.gz YUHOOYVZYWAAQH-YFKPBYRVSA-N 1 2 187.268 1.057 10 0 ADAELO CC(C)[C@H](C[NH3+])C1N=NC(=S)O1 259353066 573175571 /nfs/dbraw/zinc/17/55/71/573175571.db2.gz YUHOOYVZYWAAQH-YFKPBYRVSA-N 1 2 187.268 1.057 10 0 ADAELO CC(C)[C@@H](C)C[NH2+]Cc1ncn[nH]1 308294020 573175618 /nfs/dbraw/zinc/17/56/18/573175618.db2.gz PZNQBFOYBURQFB-QMMMGPOBSA-N 1 2 182.271 1.186 10 0 ADAELO CC1(C)[NH2+]C[C@@H](F)C1(F)F 258565589 573175670 /nfs/dbraw/zinc/17/56/70/573175670.db2.gz RDZZZKVBKMTPRQ-SCSAIBSYSA-N 1 2 153.147 1.342 10 0 ADAELO CCn1c[nH+]cc1C[C@@H]1COC(=O)C1 238304543 573175697 /nfs/dbraw/zinc/17/56/97/573175697.db2.gz AXRLOUHDQPPLMA-QMMMGPOBSA-N 1 2 194.234 1.009 10 0 ADAELO CCOc1cccc2c1N[C@@H]([NH3+])S2 238303830 573175888 /nfs/dbraw/zinc/17/58/88/573175888.db2.gz QDHOSIKKOYDBAL-SECBINFHSA-N 1 2 196.275 1.845 10 0 ADAELO CC(C)[C@H](C)C[NH2+]Cc1ncn[nH]1 308294019 573175937 /nfs/dbraw/zinc/17/59/37/573175937.db2.gz PZNQBFOYBURQFB-MRVPVSSYSA-N 1 2 182.271 1.186 10 0 ADAELO CCc1[nH+]c(CCC(=O)OC)[nH]c1C 258568446 573175952 /nfs/dbraw/zinc/17/59/52/573175952.db2.gz MZNNPSIRBQQZFL-UHFFFAOYSA-N 1 2 196.250 1.386 10 0 ADAELO CCc1[nH]c(CCC(=O)OC)[nH+]c1C 258568446 573175957 /nfs/dbraw/zinc/17/59/57/573175957.db2.gz MZNNPSIRBQQZFL-UHFFFAOYSA-N 1 2 196.250 1.386 10 0 ADAELO CCOc1cc[nH+]cc1[C@H](O)COC 308509109 573176176 /nfs/dbraw/zinc/17/61/76/573176176.db2.gz RBVBRRIMIHFWKF-SECBINFHSA-N 1 2 197.234 1.160 10 0 ADAELO C[C@@H](CO)c1cccc2[nH+]cn(C)c12 257960351 573176197 /nfs/dbraw/zinc/17/61/97/573176197.db2.gz BSPDRIVFUBIKDN-QMMMGPOBSA-N 1 2 190.246 1.669 10 0 ADAELO COCCc1cn2c(C)cccc2[nH+]1 257960186 573176337 /nfs/dbraw/zinc/17/63/37/573176337.db2.gz NDJKFZZHDHKYAN-UHFFFAOYSA-N 1 2 190.246 1.832 10 0 ADAELO CC(C)[N@@H+]1CCC[C@@H]1n1cc(O)cn1 257960044 573176494 /nfs/dbraw/zinc/17/64/94/573176494.db2.gz NBTFBNYIRINNHP-JTQLQIEISA-N 1 2 195.266 1.592 10 0 ADAELO CC(C)[N@H+]1CCC[C@@H]1n1cc(O)cn1 257960044 573176501 /nfs/dbraw/zinc/17/65/01/573176501.db2.gz NBTFBNYIRINNHP-JTQLQIEISA-N 1 2 195.266 1.592 10 0 ADAELO C[C@@H](O)[C@@H]([NH3+])c1cccc(S)c1 104681263 573176615 /nfs/dbraw/zinc/17/66/15/573176615.db2.gz OWNPTIWRPHGLJR-HZGVNTEJSA-N 1 2 183.276 1.356 10 0 ADAELO CN[C@@H](c1[nH]c[nH+]c1C)C(F)(F)F 104680073 573177002 /nfs/dbraw/zinc/17/70/02/573177002.db2.gz NFKCQLBOMILYFH-LURJTMIESA-N 1 2 193.172 1.541 10 0 ADAELO C[C@@]([NH3+])(CO)c1cccc(S)c1 104681267 573177593 /nfs/dbraw/zinc/17/75/93/573177593.db2.gz OFQMKEIGVHFDQU-SECBINFHSA-N 1 2 183.276 1.142 10 0 ADAELO C[NH2+][C@H](NN)c1ccc(C(C)C)cc1 259355234 573177676 /nfs/dbraw/zinc/17/76/76/573177676.db2.gz UBRVPVLLSXRGNU-LLVKDONJSA-N 1 2 193.294 1.491 10 0 ADAELO Cc1cc(C(=O)C[NH+](C)C)ccc1O 104679416 573177808 /nfs/dbraw/zinc/17/78/08/573177808.db2.gz NHPBFUXKJVFTBH-UHFFFAOYSA-N 1 2 193.246 1.445 10 0 ADAELO C[C@@H](O)[C@H]([NH3+])c1cccc(S)c1 104681258 573178193 /nfs/dbraw/zinc/17/81/93/573178193.db2.gz OWNPTIWRPHGLJR-MUWHJKNJSA-N 1 2 183.276 1.356 10 0 ADAELO O=Cc1ccn2c3c([nH+]c2c1)CCC3 74280581 573178246 /nfs/dbraw/zinc/17/82/46/573178246.db2.gz YLFJLURDNQSVOG-UHFFFAOYSA-N 1 2 186.214 1.636 10 0 ADAELO CC(C)[N@@H+]1CCC[C@H]1n1cc(O)cn1 257960045 573178563 /nfs/dbraw/zinc/17/85/63/573178563.db2.gz NBTFBNYIRINNHP-SNVBAGLBSA-N 1 2 195.266 1.592 10 0 ADAELO CC(C)[N@H+]1CCC[C@H]1n1cc(O)cn1 257960045 573178575 /nfs/dbraw/zinc/17/85/75/573178575.db2.gz NBTFBNYIRINNHP-SNVBAGLBSA-N 1 2 195.266 1.592 10 0 ADAELO C[N@H+](CC(F)F)C1CCC(=O)CC1 85872026 573179154 /nfs/dbraw/zinc/17/91/54/573179154.db2.gz HWCFGPNMBLPLKX-UHFFFAOYSA-N 1 2 191.221 1.695 10 0 ADAELO C[N@@H+](CC(F)F)C1CCC(=O)CC1 85872026 573179159 /nfs/dbraw/zinc/17/91/59/573179159.db2.gz HWCFGPNMBLPLKX-UHFFFAOYSA-N 1 2 191.221 1.695 10 0 ADAELO CN[C@H](c1c[nH+]c(C)[nH]1)C(F)(F)F 104680070 573179191 /nfs/dbraw/zinc/17/91/91/573179191.db2.gz FRAYUNPCAARESA-ZCFIWIBFSA-N 1 2 193.172 1.541 10 0 ADAELO CN[C@H](c1c[nH]c(C)[nH+]1)C(F)(F)F 104680070 573179195 /nfs/dbraw/zinc/17/91/95/573179195.db2.gz FRAYUNPCAARESA-ZCFIWIBFSA-N 1 2 193.172 1.541 10 0 ADAELO C[C@@H]1CNc2cc(O)ccc2[NH2+]1 259355961 573179272 /nfs/dbraw/zinc/17/92/72/573179272.db2.gz URRVSACXHCYYHI-ZCFIWIBFSA-N 1 2 164.208 1.618 10 0 ADAELO CCOc1cc[nH+]cc1[C@@H](O)COC 308509112 573179520 /nfs/dbraw/zinc/17/95/20/573179520.db2.gz RBVBRRIMIHFWKF-VIFPVBQESA-N 1 2 197.234 1.160 10 0 ADAELO CN[C@H](c1[nH]c[nH+]c1C)C(F)(F)F 104680076 573179865 /nfs/dbraw/zinc/17/98/65/573179865.db2.gz NFKCQLBOMILYFH-ZCFIWIBFSA-N 1 2 193.172 1.541 10 0 ADAELO C[C@H](O)[C@@H]([NH3+])c1cccc(S)c1 104681260 573180036 /nfs/dbraw/zinc/18/00/36/573180036.db2.gz OWNPTIWRPHGLJR-IMTBSYHQSA-N 1 2 183.276 1.356 10 0 ADAELO Nc1[nH+]c2ccccc2cc1O 115308060 573180190 /nfs/dbraw/zinc/18/01/90/573180190.db2.gz VXHIKEMNMTYCTB-UHFFFAOYSA-N 1 2 160.176 1.523 10 0 ADAELO CN[C@@H](c1c[nH+]c(C)[nH]1)C(F)(F)F 104680066 573180214 /nfs/dbraw/zinc/18/02/14/573180214.db2.gz FRAYUNPCAARESA-LURJTMIESA-N 1 2 193.172 1.541 10 0 ADAELO CN[C@@H](c1c[nH]c(C)[nH+]1)C(F)(F)F 104680066 573180217 /nfs/dbraw/zinc/18/02/17/573180217.db2.gz FRAYUNPCAARESA-LURJTMIESA-N 1 2 193.172 1.541 10 0 ADAELO C[C@]([NH3+])(CO)c1cccc(S)c1 104681270 573180519 /nfs/dbraw/zinc/18/05/19/573180519.db2.gz OFQMKEIGVHFDQU-VIFPVBQESA-N 1 2 183.276 1.142 10 0 ADAELO C[C@H]1CNc2cc(O)ccc2[NH2+]1 259355959 573180739 /nfs/dbraw/zinc/18/07/39/573180739.db2.gz URRVSACXHCYYHI-LURJTMIESA-N 1 2 164.208 1.618 10 0 ADAELO CSCc1[nH]cc[nH+]1 115334086 573180762 /nfs/dbraw/zinc/18/07/62/573180762.db2.gz JHSOUDOTLYNNGB-UHFFFAOYSA-N 1 2 128.200 1.273 10 0 ADAELO CC[C@H](O)C1=[NH+]Cc2ccccc2N1 238305628 573181109 /nfs/dbraw/zinc/18/11/09/573181109.db2.gz UWZYSDGTAHJDGY-JTQLQIEISA-N 1 2 190.246 1.591 10 0 ADAELO Cc1ccc(C[C@@H](C)CO)c[nH+]1 82764625 573181204 /nfs/dbraw/zinc/18/12/04/573181204.db2.gz JDSKPDRZDDZCMK-MRVPVSSYSA-N 1 2 165.236 1.561 10 0 ADAELO CC[C@H](C)C(=O)OCc1c[nH]c[nH+]1 308295324 573181254 /nfs/dbraw/zinc/18/12/54/573181254.db2.gz JTCKKSGJQLXKNA-ZETCQYMHSA-N 1 2 182.223 1.499 10 0 ADAELO CC[C@H](C)C(=O)OCc1c[nH+]c[nH]1 308295324 573181261 /nfs/dbraw/zinc/18/12/61/573181261.db2.gz JTCKKSGJQLXKNA-ZETCQYMHSA-N 1 2 182.223 1.499 10 0 ADAELO CC[C@@H](C)C(=O)OCc1c[nH]c[nH+]1 308295323 573181840 /nfs/dbraw/zinc/18/18/40/573181840.db2.gz JTCKKSGJQLXKNA-SSDOTTSWSA-N 1 2 182.223 1.499 10 0 ADAELO CC[C@@H](C)C(=O)OCc1c[nH+]c[nH]1 308295323 573181843 /nfs/dbraw/zinc/18/18/43/573181843.db2.gz JTCKKSGJQLXKNA-SSDOTTSWSA-N 1 2 182.223 1.499 10 0 ADAELO C/C=C\C[N@H+](C)Cc1nnc(C)[nH]1 308294679 573182115 /nfs/dbraw/zinc/18/21/15/573182115.db2.gz JKLMQUQVZACFDB-PLNGDYQASA-N 1 2 180.255 1.121 10 0 ADAELO C/C=C\C[N@@H+](C)Cc1nnc(C)[nH]1 308294679 573182123 /nfs/dbraw/zinc/18/21/23/573182123.db2.gz JKLMQUQVZACFDB-PLNGDYQASA-N 1 2 180.255 1.121 10 0 ADAELO Cc1ccc(C[C@H](C)CO)c[nH+]1 82764626 573182126 /nfs/dbraw/zinc/18/21/26/573182126.db2.gz JDSKPDRZDDZCMK-QMMMGPOBSA-N 1 2 165.236 1.561 10 0 ADAELO CC[N@@H+]1CCC[C@H]1c1nc(C=O)co1 257961440 573182175 /nfs/dbraw/zinc/18/21/75/573182175.db2.gz GLLIQERGSUWYHV-VIFPVBQESA-N 1 2 194.234 1.644 10 0 ADAELO CC[N@H+]1CCC[C@H]1c1nc(C=O)co1 257961440 573182179 /nfs/dbraw/zinc/18/21/79/573182179.db2.gz GLLIQERGSUWYHV-VIFPVBQESA-N 1 2 194.234 1.644 10 0 ADAELO Cc1coc(C)c1C(=O)C[NH+](C)C 104683570 573182230 /nfs/dbraw/zinc/18/22/30/573182230.db2.gz FAECTKPMANPMMU-UHFFFAOYSA-N 1 2 181.235 1.641 10 0 ADAELO Cc1cc(C(=O)C[NH+](C)C)c(C)o1 104683567 573182562 /nfs/dbraw/zinc/18/25/62/573182562.db2.gz OIJMETFYWJHWRH-UHFFFAOYSA-N 1 2 181.235 1.641 10 0 ADAELO Nc1ccc2c(O)cccc2[nH+]1 115308075 573184876 /nfs/dbraw/zinc/18/48/76/573184876.db2.gz JHUPRBCZHSHQPU-UHFFFAOYSA-N 1 2 160.176 1.523 10 0 ADAELO Cc1cccc(C(=O)C[NH+](C)C)n1 104684976 573184946 /nfs/dbraw/zinc/18/49/46/573184946.db2.gz QOUBEPVOKFTAPL-UHFFFAOYSA-N 1 2 178.235 1.134 10 0 ADAELO Cc1cccn2c([C@@H](C)O)[nH+]cc12 257960820 573185143 /nfs/dbraw/zinc/18/51/43/573185143.db2.gz XHXSCMNYJJOOFL-MRVPVSSYSA-N 1 2 176.219 1.696 10 0 ADAELO Cc1c[nH]c(C)c1C(=O)C[NH+](C)C 104684090 573185376 /nfs/dbraw/zinc/18/53/76/573185376.db2.gz NJAAPXLXYLRLKY-UHFFFAOYSA-N 1 2 180.251 1.376 10 0 ADAELO Cc1csc(C(=O)C[NH+](C)C)n1 104684582 573185408 /nfs/dbraw/zinc/18/54/08/573185408.db2.gz PZXKWWUGBNTTDN-UHFFFAOYSA-N 1 2 184.264 1.196 10 0 ADAELO Cc1csc(C(=O)C[NH+](C)C)c1 104683578 573185557 /nfs/dbraw/zinc/18/55/57/573185557.db2.gz MOGYVFOVFXEFNF-UHFFFAOYSA-N 1 2 183.276 1.801 10 0 ADAELO CC(F)(F)Oc1ccc[nH+]c1N 104683037 573185614 /nfs/dbraw/zinc/18/56/14/573185614.db2.gz HPOPDOYTTVAQOM-UHFFFAOYSA-N 1 2 174.150 1.655 10 0 ADAELO Cc1c[nH]cc1C(=O)C[NH+](C)C 104684573 573185638 /nfs/dbraw/zinc/18/56/38/573185638.db2.gz RLYVHOWYIMYEIE-UHFFFAOYSA-N 1 2 166.224 1.067 10 0 ADAELO [NH3+]C1(c2ccc(S)cc2)CC1 104682352 573185943 /nfs/dbraw/zinc/18/59/43/573185943.db2.gz CQFDZMQZUASKGT-UHFFFAOYSA-N 1 2 165.261 1.923 10 0 ADAELO CCC[C@@H](O)c1ccc(N(C)C)[nH+]c1 308514464 573186151 /nfs/dbraw/zinc/18/61/51/573186151.db2.gz DPQGDTNKKXLUAN-SNVBAGLBSA-N 1 2 194.278 1.981 10 0 ADAELO CCc1[nH]c(CO)[nH+]c1C(C)C 258486019 573187270 /nfs/dbraw/zinc/18/72/70/573187270.db2.gz JQISIQRURNUFET-UHFFFAOYSA-N 1 2 168.240 1.588 10 0 ADAELO CCc1[nH+]c(CO)[nH]c1C(C)C 258486019 573187278 /nfs/dbraw/zinc/18/72/78/573187278.db2.gz JQISIQRURNUFET-UHFFFAOYSA-N 1 2 168.240 1.588 10 0 ADAELO CCC[C@H](O)c1ccc(N(C)C)[nH+]c1 308514463 573187744 /nfs/dbraw/zinc/18/77/44/573187744.db2.gz DPQGDTNKKXLUAN-JTQLQIEISA-N 1 2 194.278 1.981 10 0 ADAELO C[C@H]1CCC[C@@H](C)N1[NH2+]C1CC1 115379978 573188085 /nfs/dbraw/zinc/18/80/85/573188085.db2.gz LKYREESRRJTLTP-DTORHVGOSA-N 1 2 168.284 1.916 10 0 ADAELO Nc1cc([C@H](O)C(F)(F)F)cc[nH+]1 115359541 573188367 /nfs/dbraw/zinc/18/83/67/573188367.db2.gz MNDHMXQUMNZQRP-LURJTMIESA-N 1 2 192.140 1.260 10 0 ADAELO CNc1c[nH+]cc(NC)c1 104691482 573188445 /nfs/dbraw/zinc/18/84/45/573188445.db2.gz 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573193980 /nfs/dbraw/zinc/19/39/80/573193980.db2.gz VADZAUOAIOSLIH-UHFFFAOYSA-N 1 2 199.200 1.410 10 0 ADAELO Cc1ncc2c(c1O)[C@@H]([NH+](C)C)OC2 238300773 573193304 /nfs/dbraw/zinc/19/33/04/573193304.db2.gz XSKBJVBUEYJYQT-JTQLQIEISA-N 1 2 194.234 1.186 10 0 ADAELO CCOc1cc[nH+]cc1[C@H](O)C1CC1 308516559 573193350 /nfs/dbraw/zinc/19/33/50/573193350.db2.gz VHYCXDLQDIDHRQ-LLVKDONJSA-N 1 2 193.246 1.924 10 0 ADAELO CCOC(=S)Cc1c[nH]c[nH+]1 238301514 573193521 /nfs/dbraw/zinc/19/35/21/573193521.db2.gz DXAOEEPKNVILOV-UHFFFAOYSA-N 1 2 170.237 1.316 10 0 ADAELO CCOC(=O)C12CCC(CC1)C[NH2+]2 238302268 573193647 /nfs/dbraw/zinc/19/36/47/573193647.db2.gz IZKKAMLSQBKRBV-UHFFFAOYSA-N 1 2 183.251 1.082 10 0 ADAELO CC1Cc2c(N)ccc([NH3+])c2C1 90376974 573193828 /nfs/dbraw/zinc/19/38/28/573193828.db2.gz BOPDDZMXSVMRIX-UHFFFAOYSA-N 1 2 162.236 1.586 10 0 ADAELO CCc1cnc(C(=[NH2+])NO)cc1C 115414703 573195225 /nfs/dbraw/zinc/19/52/25/573195225.db2.gz DKALTFPSWUQNOM-UHFFFAOYSA-N 1 2 179.223 1.257 10 0 ADAELO 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CCOC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)[C@@H]1C 308577799 573409840 /nfs/dbraw/zinc/40/98/40/573409840.db2.gz NOOANOMZZDPOEP-AATLWQCWSA-N 1 2 199.294 1.572 10 0 ADAELO C[C@@H]1C[C@@H]1C[NH2+]CC(=O)OC(C)(C)C 133554533 573411151 /nfs/dbraw/zinc/41/11/51/573411151.db2.gz QDHOJVJPTSQESF-RKDXNWHRSA-N 1 2 199.294 1.574 10 0 ADAELO c1ccc(OC[NH+]2CCC2)cc1 118587848 573411249 /nfs/dbraw/zinc/41/12/49/573411249.db2.gz CEENNBHYLWGDAW-UHFFFAOYSA-N 1 2 163.220 1.729 10 0 ADAELO Cc1cc[nH+]c(CC[C@@H](C)O)c1 238381795 573411926 /nfs/dbraw/zinc/41/19/26/573411926.db2.gz RLUVOAQIOPFQQA-SECBINFHSA-N 1 2 165.236 1.703 10 0 ADAELO Cc1c[nH+]ccc1[C@@H](C)CO 238382677 573413217 /nfs/dbraw/zinc/41/32/17/573413217.db2.gz MDZMDSSGSSVQMS-QMMMGPOBSA-N 1 2 151.209 1.486 10 0 ADAELO Cc1cnc(F)c([C@H]2COCC[NH2+]2)c1 211747249 573413235 /nfs/dbraw/zinc/41/32/35/573413235.db2.gz FFTCRXZLMALHRQ-SECBINFHSA-N 1 2 196.225 1.190 10 0 ADAELO CCCNC1=[NH+][C@@](C)(CCC)C(=O)N1 133661858 573413519 /nfs/dbraw/zinc/41/35/19/573413519.db2.gz PCYZCXCBFBBGJD-JTQLQIEISA-N 1 2 197.282 1.031 10 0 ADAELO Nc1[nH+]cccc1CC(=O)C1CCC1 83120269 573413564 /nfs/dbraw/zinc/41/35/64/573413564.db2.gz IRYCJDXVFARMGQ-UHFFFAOYSA-N 1 2 190.246 1.576 10 0 ADAELO Nc1[nH+]cccc1[C@@H](O)C1CCC1 83120792 573414230 /nfs/dbraw/zinc/41/42/30/573414230.db2.gz QJKCCTFIIXUVJK-VIFPVBQESA-N 1 2 178.235 1.497 10 0 ADAELO CCCCC[C@H]1[NH+]=C(NCC)NC1=O 133573224 573414406 /nfs/dbraw/zinc/41/44/06/573414406.db2.gz NZQFQMUCOJOOEN-MRVPVSSYSA-N 1 2 197.282 1.031 10 0 ADAELO CC[C@H]1C(=O)CC[N@@H+]1C1CC1 107219424 573415637 /nfs/dbraw/zinc/41/56/37/573415637.db2.gz POFQGYZHPWQOLF-QMMMGPOBSA-N 1 2 153.225 1.202 10 0 ADAELO CC[C@H]1C(=O)CC[N@H+]1C1CC1 107219424 573415642 /nfs/dbraw/zinc/41/56/42/573415642.db2.gz POFQGYZHPWQOLF-QMMMGPOBSA-N 1 2 153.225 1.202 10 0 ADAELO C[C@@H]1C(=O)CCC[N@@H+]1C1CC1 107219432 573415794 /nfs/dbraw/zinc/41/57/94/573415794.db2.gz MECKNIDSBSFNFD-SSDOTTSWSA-N 1 2 153.225 1.202 10 0 ADAELO C[C@@H]1C(=O)CCC[N@H+]1C1CC1 107219432 573415798 /nfs/dbraw/zinc/41/57/98/573415798.db2.gz MECKNIDSBSFNFD-SSDOTTSWSA-N 1 2 153.225 1.202 10 0 ADAELO CCCNC1=[NH+][C@](C)(CCC)C(=O)N1 133661684 573415954 /nfs/dbraw/zinc/41/59/54/573415954.db2.gz PCYZCXCBFBBGJD-SNVBAGLBSA-N 1 2 197.282 1.031 10 0 ADAELO COc1cc(N)[nH+]c(C(F)F)c1C 238383241 573417222 /nfs/dbraw/zinc/41/72/22/573417222.db2.gz XKURFJBPZRBRTR-UHFFFAOYSA-N 1 2 188.177 1.918 10 0 ADAELO CC(C)OCC[NH2+]CC(F)F 133613947 573417234 /nfs/dbraw/zinc/41/72/34/573417234.db2.gz VTXXFVKPZDZOCK-UHFFFAOYSA-N 1 2 167.199 1.266 10 0 ADAELO Cc1cc[nH+]c(N)c1C(=O)C1CCC1 83127521 573418293 /nfs/dbraw/zinc/41/82/93/573418293.db2.gz ZFVMUOHVTUNIOA-UHFFFAOYSA-N 1 2 190.246 1.955 10 0 ADAELO Cc1c[nH+]c(N)c(C(=O)C2CCC2)c1 83127518 573418461 /nfs/dbraw/zinc/41/84/61/573418461.db2.gz RXWKKGMWCQXYKA-UHFFFAOYSA-N 1 2 190.246 1.955 10 0 ADAELO CC(C)c1onc2c1C[NH2+]C2 107218775 573418472 /nfs/dbraw/zinc/41/84/72/573418472.db2.gz QDOQXVBOZAMARZ-UHFFFAOYSA-N 1 2 152.197 1.401 10 0 ADAELO COC(=[NH2+])[C@@H]1Cc2ccccc21 83123348 573420095 /nfs/dbraw/zinc/42/00/95/573420095.db2.gz RMKUJJWZQNIOGM-SECBINFHSA-N 1 2 161.204 1.950 10 0 ADAELO COC(=O)c1ccc(C)c2[nH+]ccn12 238385030 573421377 /nfs/dbraw/zinc/42/13/77/573421377.db2.gz ANGREBFEKZFYFV-UHFFFAOYSA-N 1 2 190.202 1.429 10 0 ADAELO OCc1c[nH+]c(C2CCC2)[nH]1 83136719 573422390 /nfs/dbraw/zinc/42/23/90/573422390.db2.gz ITMCKKFRRMVJTJ-UHFFFAOYSA-N 1 2 152.197 1.170 10 0 ADAELO OCc1c[nH]c(C2CCC2)[nH+]1 83136719 573422395 /nfs/dbraw/zinc/42/23/95/573422395.db2.gz ITMCKKFRRMVJTJ-UHFFFAOYSA-N 1 2 152.197 1.170 10 0 ADAELO CC[N@@H+]1CCC[C@@H](n2cc(O)cn2)C1 258019370 573422431 /nfs/dbraw/zinc/42/24/31/573422431.db2.gz RLTMHLOGFDLDDI-SECBINFHSA-N 1 2 195.266 1.246 10 0 ADAELO CC[N@H+]1CCC[C@@H](n2cc(O)cn2)C1 258019370 573422435 /nfs/dbraw/zinc/42/24/35/573422435.db2.gz RLTMHLOGFDLDDI-SECBINFHSA-N 1 2 195.266 1.246 10 0 ADAELO COC1=[NH+][C@@H](C)[C@@H](c2ccccc2)N1 238390595 573422442 /nfs/dbraw/zinc/42/24/42/573422442.db2.gz ALBFYQHLMQRBIG-WPRPVWTQSA-N 1 2 190.246 1.722 10 0 ADAELO COC1=[NH+][C@H](C)[C@H](c2ccccc2)N1 238390471 573426129 /nfs/dbraw/zinc/42/61/29/573426129.db2.gz ALBFYQHLMQRBIG-PSASIEDQSA-N 1 2 190.246 1.722 10 0 ADAELO COc1cccc([C@H]2CC(N)=[NH+]O2)c1 257811523 573425555 /nfs/dbraw/zinc/42/55/55/573425555.db2.gz BEJUPAAYAIKEPA-SECBINFHSA-N 1 2 192.218 1.429 10 0 ADAELO COc1cc(O)c(C)[nH+]c1C 238390391 573426028 /nfs/dbraw/zinc/42/60/28/573426028.db2.gz PNHVUPCHOGKNIC-UHFFFAOYSA-N 1 2 153.181 1.413 10 0 ADAELO O=CNc1cccc(-n2cc[nH+]c2)c1 83145184 573428971 /nfs/dbraw/zinc/42/89/71/573428971.db2.gz IQTPBVNEBMLHJP-UHFFFAOYSA-N 1 2 187.202 1.441 10 0 ADAELO CC(=O)c1nc([C@@H]2CCCC[NH2+]2)no1 258028260 573427913 /nfs/dbraw/zinc/42/79/13/573427913.db2.gz NSIAOYINJMJVKH-ZETCQYMHSA-N 1 2 195.222 1.087 10 0 ADAELO Nc1cccc([C@H]2[NH2+]CCCC2=O)c1 257811325 573427978 /nfs/dbraw/zinc/42/79/78/573427978.db2.gz BDZSUKCFWNWLIM-LLVKDONJSA-N 1 2 190.246 1.262 10 0 ADAELO CCOCc1cn(C)c(C)[nH+]1 258028999 573428036 /nfs/dbraw/zinc/42/80/36/573428036.db2.gz DOYZFQOZIXPDKH-UHFFFAOYSA-N 1 2 154.213 1.265 10 0 ADAELO CC[C@H]1c2[nH][nH]c(=O)c2C[N@@H+]1C 107222761 573429140 /nfs/dbraw/zinc/42/91/40/573429140.db2.gz GRQKXFJFPLXOFD-LURJTMIESA-N 1 2 167.212 1.012 10 0 ADAELO CC[C@H]1c2[nH][nH]c(=O)c2C[N@H+]1C 107222761 573429134 /nfs/dbraw/zinc/42/91/34/573429134.db2.gz GRQKXFJFPLXOFD-LURJTMIESA-N 1 2 167.212 1.012 10 0 ADAELO N#Cc1cccc(CNc2c[nH]c[nH+]2)c1 393633571 573429135 /nfs/dbraw/zinc/42/91/35/573429135.db2.gz SUUPZJMZCCVZQJ-UHFFFAOYSA-N 1 2 198.229 1.893 10 0 ADAELO CC[C@@H]1c2[nH][nH]c(=O)c2C[N@H+]1C 107222758 573431639 /nfs/dbraw/zinc/43/16/39/573431639.db2.gz GRQKXFJFPLXOFD-ZCFIWIBFSA-N 1 2 167.212 1.012 10 0 ADAELO CC[C@@H]1c2[nH][nH]c(=O)c2C[N@@H+]1C 107222758 573431645 /nfs/dbraw/zinc/43/16/45/573431645.db2.gz GRQKXFJFPLXOFD-ZCFIWIBFSA-N 1 2 167.212 1.012 10 0 ADAELO c1ccc(C[NH2+]Cc2ccon2)nc1 86452707 573431668 /nfs/dbraw/zinc/43/16/68/573431668.db2.gz XYFSVCCIPJMBFO-UHFFFAOYSA-N 1 2 189.218 1.359 10 0 ADAELO Cc1[nH+]cc([C@H](O)C(F)(F)F)n1C 118853209 573432120 /nfs/dbraw/zinc/43/21/20/573432120.db2.gz RIRUIKTVEOSTJH-LURJTMIESA-N 1 2 194.156 1.324 10 0 ADAELO CC[C@H]([NH2+][C@H]1C[C@H]1C1CC1)C(=O)OC 308581425 573432587 /nfs/dbraw/zinc/43/25/87/573432587.db2.gz GQAKMCVJDCZYAU-GUBZILKMSA-N 1 2 197.278 1.326 10 0 ADAELO COc1c[nH+]c(C(F)F)c(C)c1N 238394090 573433177 /nfs/dbraw/zinc/43/31/77/573433177.db2.gz ONJONYJJUXARTQ-UHFFFAOYSA-N 1 2 188.177 1.918 10 0 ADAELO FC(F)(F)c1onc2c1C[NH2+]C2 107226381 573433418 /nfs/dbraw/zinc/43/34/18/573433418.db2.gz AEFSUABHQXSCPH-UHFFFAOYSA-N 1 2 178.113 1.297 10 0 ADAELO CC[C@H]([NH2+][C@@H]1C[C@@H]1C1CC1)C(=O)OC 308581426 573434010 /nfs/dbraw/zinc/43/40/10/573434010.db2.gz GQAKMCVJDCZYAU-KXUCPTDWSA-N 1 2 197.278 1.326 10 0 ADAELO CC[C@@H]1c2onc(N)c2C[N@@H+]1C 107222691 573434937 /nfs/dbraw/zinc/43/49/37/573434937.db2.gz HOPANNXPDWKSHW-ZCFIWIBFSA-N 1 2 167.212 1.153 10 0 ADAELO CC[C@@H]1c2onc(N)c2C[N@H+]1C 107222691 573434930 /nfs/dbraw/zinc/43/49/30/573434930.db2.gz HOPANNXPDWKSHW-ZCFIWIBFSA-N 1 2 167.212 1.153 10 0 ADAELO Cc1[nH+]cc([C@@H](O)C(F)(F)F)n1C 118853208 573435056 /nfs/dbraw/zinc/43/50/56/573435056.db2.gz RIRUIKTVEOSTJH-ZCFIWIBFSA-N 1 2 194.156 1.324 10 0 ADAELO CC(C)[NH2+]Cc1noc(C2(C)CC2)n1 308581026 573435301 /nfs/dbraw/zinc/43/53/01/573435301.db2.gz GKNCLTHGLTXENY-UHFFFAOYSA-N 1 2 195.266 1.619 10 0 ADAELO Cc1cc([NH3+])ccc1N1CC=CC1 118881663 573435728 /nfs/dbraw/zinc/43/57/28/573435728.db2.gz JMODXTQZGQIAAX-UHFFFAOYSA-N 1 2 174.247 1.953 10 0 ADAELO CCCCN1C(=O)C2(CC2)[NH2+][C@@H]1CC 138117918 573436034 /nfs/dbraw/zinc/43/60/34/573436034.db2.gz PQFGGTURBLCZCU-VIFPVBQESA-N 1 2 196.294 1.487 10 0 ADAELO CCCCN1C(=O)[C@](C)(CC)[NH2+][C@H]1C 138113559 573436598 /nfs/dbraw/zinc/43/65/98/573436598.db2.gz XOVCPYIONAMGOP-KOLCDFICSA-N 1 2 198.310 1.733 10 0 ADAELO CCCCN1C(=O)[C@@H](CC)[NH2+][C@@H]1C 138076760 573437446 /nfs/dbraw/zinc/43/74/46/573437446.db2.gz ZIRIHIIXLDRREZ-DTWKUNHWSA-N 1 2 184.283 1.343 10 0 ADAELO CCCCN1C(=O)C[NH2+][C@@H]1CC(C)C 138056200 573437807 /nfs/dbraw/zinc/43/78/07/573437807.db2.gz BJLWEDPGFKFYCI-JTQLQIEISA-N 1 2 198.310 1.591 10 0 ADAELO COc1cc(O)cc2[nH+]cn(C)c12 238396261 573437840 /nfs/dbraw/zinc/43/78/40/573437840.db2.gz UASOZWNASMWQQN-UHFFFAOYSA-N 1 2 178.191 1.288 10 0 ADAELO CCCC[C@@H]1[NH2+]CN(CCCC)C1=O 138110256 573438037 /nfs/dbraw/zinc/43/80/37/573438037.db2.gz DIUDZBHDKRHTQL-JTQLQIEISA-N 1 2 198.310 1.735 10 0 ADAELO CCCCN1C(=O)[C@H](C)[NH2+][C@H]1CC 138073567 573438209 /nfs/dbraw/zinc/43/82/09/573438209.db2.gz KKHWQKDKAGZJOK-DTWKUNHWSA-N 1 2 184.283 1.343 10 0 ADAELO CCCCN1C(=O)[C@H](C)[NH2+][C@H]1C(C)C 138073127 573438320 /nfs/dbraw/zinc/43/83/20/573438320.db2.gz WXPSHPPMXBBUDY-VHSXEESVSA-N 1 2 198.310 1.589 10 0 ADAELO CCCCN1C(=O)[C@H](CC)[NH2+][C@@H]1C 138076974 573438338 /nfs/dbraw/zinc/43/83/38/573438338.db2.gz ZIRIHIIXLDRREZ-IUCAKERBSA-N 1 2 184.283 1.343 10 0 ADAELO CCCCN1C(=O)[C@@H](C)[NH2+][C@@H]1CC 138073448 573438385 /nfs/dbraw/zinc/43/83/85/573438385.db2.gz KKHWQKDKAGZJOK-BDAKNGLRSA-N 1 2 184.283 1.343 10 0 ADAELO CCCCN1C(=O)[C@H](CCC)[NH2+][C@H]1C 138064162 573438412 /nfs/dbraw/zinc/43/84/12/573438412.db2.gz OLPKNJLHROZHJY-ZJUUUORDSA-N 1 2 198.310 1.733 10 0 ADAELO CCCCN1C(=O)[C@H](C)[NH2+][C@@H]1C(C)C 138073234 573441070 /nfs/dbraw/zinc/44/10/70/573441070.db2.gz WXPSHPPMXBBUDY-UWVGGRQHSA-N 1 2 198.310 1.589 10 0 ADAELO CCCCN1C(=O)[C@H](CCC)[NH2+][C@@H]1C 138064219 573438517 /nfs/dbraw/zinc/43/85/17/573438517.db2.gz OLPKNJLHROZHJY-UWVGGRQHSA-N 1 2 198.310 1.733 10 0 ADAELO Cn1c[nH+]c(COc2ccccc2)c1 258344765 573438922 /nfs/dbraw/zinc/43/89/22/573438922.db2.gz XZZATFCMRIYHGW-UHFFFAOYSA-N 1 2 188.230 1.999 10 0 ADAELO CCCC[C@H]1[NH2+]CN(CCCC)C1=O 138110165 573438993 /nfs/dbraw/zinc/43/89/93/573438993.db2.gz DIUDZBHDKRHTQL-SNVBAGLBSA-N 1 2 198.310 1.735 10 0 ADAELO CCCCN1C(=O)[C@@H](C)[NH2+][C@H]1C(C)C 138072911 573441160 /nfs/dbraw/zinc/44/11/60/573441160.db2.gz WXPSHPPMXBBUDY-NXEZZACHSA-N 1 2 198.310 1.589 10 0 ADAELO Cc1[nH]c2c([C@H](C)CO)cccc2[nH+]1 258021526 573438998 /nfs/dbraw/zinc/43/89/98/573438998.db2.gz IECHWBHZCFBPLM-SSDOTTSWSA-N 1 2 190.246 1.967 10 0 ADAELO Cc1[nH]c2cccc([C@H](C)CO)c2[nH+]1 258021526 573439007 /nfs/dbraw/zinc/43/90/07/573439007.db2.gz IECHWBHZCFBPLM-SSDOTTSWSA-N 1 2 190.246 1.967 10 0 ADAELO CCCCN1C(=O)[C@H](C)[NH2+][C@@H]1CC 138073665 573439165 /nfs/dbraw/zinc/43/91/65/573439165.db2.gz KKHWQKDKAGZJOK-IUCAKERBSA-N 1 2 184.283 1.343 10 0 ADAELO CCCCN1C(=O)[C@@H](C)[NH2+][C@@H]1C(C)C 138073001 573439290 /nfs/dbraw/zinc/43/92/90/573439290.db2.gz WXPSHPPMXBBUDY-ZJUUUORDSA-N 1 2 198.310 1.589 10 0 ADAELO CCc1cn2c([nH+]1)[C@@H](CO)CCC2 258652094 573439368 /nfs/dbraw/zinc/43/93/68/573439368.db2.gz WXYYSDKECANAKK-MRVPVSSYSA-N 1 2 180.251 1.315 10 0 ADAELO CCCCN1C(=O)[C@@H](CCC)[NH2+][C@@H]1C 138064088 573439400 /nfs/dbraw/zinc/43/94/00/573439400.db2.gz OLPKNJLHROZHJY-VHSXEESVSA-N 1 2 198.310 1.733 10 0 ADAELO CCCCN1C(=O)C[NH2+][C@H]1C(C)C 138082480 573439687 /nfs/dbraw/zinc/43/96/87/573439687.db2.gz RUTVJFZZEXWVEQ-SNVBAGLBSA-N 1 2 184.283 1.200 10 0 ADAELO CCCCN1C(=O)[C@H](CC)[NH2+][C@H]1CC 138063530 573439733 /nfs/dbraw/zinc/43/97/33/573439733.db2.gz PNEMMDUESQVXEF-VHSXEESVSA-N 1 2 198.310 1.733 10 0 ADAELO Cc1[nH]c2c([C@@H](C)CO)cccc2[nH+]1 258021529 573439911 /nfs/dbraw/zinc/43/99/11/573439911.db2.gz IECHWBHZCFBPLM-ZETCQYMHSA-N 1 2 190.246 1.967 10 0 ADAELO Cc1[nH]c2cccc([C@@H](C)CO)c2[nH+]1 258021529 573439914 /nfs/dbraw/zinc/43/99/14/573439914.db2.gz IECHWBHZCFBPLM-ZETCQYMHSA-N 1 2 190.246 1.967 10 0 ADAELO CCCCN1C(=O)[C@@H](CCC)[NH2+][C@H]1C 138064034 573440052 /nfs/dbraw/zinc/44/00/52/573440052.db2.gz OLPKNJLHROZHJY-NXEZZACHSA-N 1 2 198.310 1.733 10 0 ADAELO CCCCN1C(=O)C2(CC2)[NH2+][C@H]1CC 138117831 573440994 /nfs/dbraw/zinc/44/09/94/573440994.db2.gz PQFGGTURBLCZCU-SECBINFHSA-N 1 2 196.294 1.487 10 0 ADAELO CCc1nc([C@H]2CSCC[NH2+]2)co1 257813734 573441411 /nfs/dbraw/zinc/44/14/11/573441411.db2.gz AZUBOUSQNYGZTO-MRVPVSSYSA-N 1 2 198.291 1.615 10 0 ADAELO CCCCN1C(=O)[C@@H](CC)[NH2+][C@@H]1CC 138063449 573441259 /nfs/dbraw/zinc/44/12/59/573441259.db2.gz PNEMMDUESQVXEF-ZJUUUORDSA-N 1 2 198.310 1.733 10 0 ADAELO CCc1nc([C@@H]2CSCC[NH2+]2)co1 257813735 573441425 /nfs/dbraw/zinc/44/14/25/573441425.db2.gz AZUBOUSQNYGZTO-QMMMGPOBSA-N 1 2 198.291 1.615 10 0 ADAELO CCCCN1C(=O)[C@H](C(C)C)[NH2+][C@@H]1C 138054376 573441437 /nfs/dbraw/zinc/44/14/37/573441437.db2.gz YSHKEZHTPZTHHA-UWVGGRQHSA-N 1 2 198.310 1.589 10 0 ADAELO CCc1cn2c([nH+]1)[C@H](CO)CCC2 258652096 573441464 /nfs/dbraw/zinc/44/14/64/573441464.db2.gz WXYYSDKECANAKK-QMMMGPOBSA-N 1 2 180.251 1.315 10 0 ADAELO CCCCN1C(=O)[C@@H](CC)[NH2+][C@H]1C 138076656 573441476 /nfs/dbraw/zinc/44/14/76/573441476.db2.gz ZIRIHIIXLDRREZ-RKDXNWHRSA-N 1 2 184.283 1.343 10 0 ADAELO C[C@H](CO)C[NH2+]c1ccc(N)cc1F 83219143 573442405 /nfs/dbraw/zinc/44/24/05/573442405.db2.gz HLEIBRKFGUNBFC-ZETCQYMHSA-N 1 2 198.241 1.448 10 0 ADAELO CCC[C@@H]1[NH2+]CN(CCC(C)C)C1=O 138170775 573442950 /nfs/dbraw/zinc/44/29/50/573442950.db2.gz ZMWCDLIXGFSPEG-JTQLQIEISA-N 1 2 198.310 1.591 10 0 ADAELO Nc1ccc2[nH+]cc(C(F)F)n2c1 107255505 573442960 /nfs/dbraw/zinc/44/29/60/573442960.db2.gz VXPBKRPRASSECS-UHFFFAOYSA-N 1 2 183.161 1.854 10 0 ADAELO CC[C@H]1[NH2+]CN(CCC(C)C)C1=O 138127292 573444304 /nfs/dbraw/zinc/44/43/04/573444304.db2.gz LLBYKYKSHWSCAB-SECBINFHSA-N 1 2 184.283 1.200 10 0 ADAELO Cc1cc(C)c([NH3+])[nH]1 238398457 573445683 /nfs/dbraw/zinc/44/56/83/573445683.db2.gz XSBBHRILZRZDHY-SCSAIBSYSA-N 1 2 110.160 1.107 10 0 ADAELO CC[C@@H]1[NH2+][C@H](C)N(CCC(C)C)C1=O 138168749 573445687 /nfs/dbraw/zinc/44/56/87/573445687.db2.gz UQQDKDDHQQEEAL-UWVGGRQHSA-N 1 2 198.310 1.589 10 0 ADAELO CO[C@@H](CN(C)[NH3+])C1CCCCC1 257816707 573447235 /nfs/dbraw/zinc/44/72/35/573447235.db2.gz DILLLOZPEKQDEG-JTQLQIEISA-N 1 2 186.299 1.387 10 0 ADAELO C[C@H]1CC(=O)C[C@@H](c2ccco2)[NH2+]1 83273054 573448005 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257827229 573529799 /nfs/dbraw/zinc/52/97/99/573529799.db2.gz HXDKBGLIPQWVKT-UHFFFAOYSA-N 1 2 188.230 1.877 10 0 ADAELO COc1c(N)[nH+]cc(C)c1C(F)F 238429456 573529810 /nfs/dbraw/zinc/52/98/10/573529810.db2.gz XDFJBZYVVCUKRS-UHFFFAOYSA-N 1 2 188.177 1.918 10 0 ADAELO O=C1CCc2[nH+]c(C3CC3)cn2C1 107335243 573530329 /nfs/dbraw/zinc/53/03/29/573530329.db2.gz CLEYMROUVCFYEQ-UHFFFAOYSA-N 1 2 176.219 1.276 10 0 ADAELO COc1c(N)[nH+]cc(N)c1C(F)F 238429663 573530289 /nfs/dbraw/zinc/53/02/89/573530289.db2.gz MNKNSXCMFJWXRN-UHFFFAOYSA-N 1 2 189.165 1.192 10 0 ADAELO CN(C(=O)C1CC1)c1ccc(N)[nH+]c1 259111550 573531179 /nfs/dbraw/zinc/53/11/79/573531179.db2.gz KRKMAIZSRPIVTM-UHFFFAOYSA-N 1 2 191.234 1.037 10 0 ADAELO C[NH2+][C@@H](C)c1cn[nH]c1CC(C)C 257828595 573533162 /nfs/dbraw/zinc/53/31/62/573533162.db2.gz ILDLKXBFKREWKL-QMMMGPOBSA-N 1 2 181.283 1.889 10 0 ADAELO OCC1(c2[nH]cc(C3CCC3)[nH+]2)CC1 259104172 573533440 /nfs/dbraw/zinc/53/34/40/573533440.db2.gz OKLRKCUYRSHLJW-UHFFFAOYSA-N 1 2 192.262 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CCc1csc2[nH+]c(C)c(N)n12 75395778 573554130 /nfs/dbraw/zinc/55/41/30/573554130.db2.gz XCEZVYIIWLBZHJ-UHFFFAOYSA-N 1 2 181.264 1.849 10 0 ADAELO COc1cc(N2CC[C@@H]2C)ccc1[NH3+] 86662914 573554147 /nfs/dbraw/zinc/55/41/47/573554147.db2.gz HRRVHSWBNPEORK-QMMMGPOBSA-N 1 2 192.262 1.876 10 0 ADAELO CC1(C)CC(=O)C[N@@H+]1C1CC1 259505049 573554203 /nfs/dbraw/zinc/55/42/03/573554203.db2.gz TZOFHUJUHHFGEY-UHFFFAOYSA-N 1 2 153.225 1.202 10 0 ADAELO CC1(C)CC(=O)C[N@H+]1C1CC1 259505049 573554209 /nfs/dbraw/zinc/55/42/09/573554209.db2.gz TZOFHUJUHHFGEY-UHFFFAOYSA-N 1 2 153.225 1.202 10 0 ADAELO CCC(=O)c1[nH+]c(C)[nH]c1C 197041630 573554284 /nfs/dbraw/zinc/55/42/84/573554284.db2.gz RDTFBIAERJPNCG-UHFFFAOYSA-N 1 2 152.197 1.619 10 0 ADAELO C[C@H]1CC[NH2+][C@H](c2ccccc2)N1 238438930 573557414 /nfs/dbraw/zinc/55/74/14/573557414.db2.gz HHEGNOULRWVFSD-ONGXEEELSA-N 1 2 176.263 1.657 10 0 ADAELO C[NH2+]CC(F)(F)c1ccccc1O 257830985 573558056 /nfs/dbraw/zinc/55/80/56/573558056.db2.gz JUYHXCGYODZBFB-UHFFFAOYSA-N 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WMFWSMYAYQMVKT-MRVPVSSYSA-N 1 2 192.262 1.012 10 0 ADAELO CC(C)c1ccc([C@@H]([NH3+])NN)cc1 259519619 573587114 /nfs/dbraw/zinc/58/71/14/573587114.db2.gz SDABVWUSOJAVIH-JTQLQIEISA-N 1 2 179.267 1.231 10 0 ADAELO Cc1cc(N)[nH+]cc1-c1cnccn1 86716474 573587018 /nfs/dbraw/zinc/58/70/18/573587018.db2.gz IEOWVILYZUGYSV-UHFFFAOYSA-N 1 2 186.218 1.429 10 0 ADAELO CC[N@@H+]1CCCC[C@H]1c1noc(N)n1 258063502 573588581 /nfs/dbraw/zinc/58/85/81/573588581.db2.gz PVMACTRIVPBIFE-ZETCQYMHSA-N 1 2 196.254 1.199 10 0 ADAELO CC[N@H+]1CCCC[C@H]1c1noc(N)n1 258063502 573588583 /nfs/dbraw/zinc/58/85/83/573588583.db2.gz PVMACTRIVPBIFE-ZETCQYMHSA-N 1 2 196.254 1.199 10 0 ADAELO C[NH+]=C1Nc2cc(N)ccc2O[C@@H]1C 75486084 573588636 /nfs/dbraw/zinc/58/86/36/573588636.db2.gz WHEQZFNAJSTPAR-ZCFIWIBFSA-N 1 2 191.234 1.299 10 0 ADAELO C[NH+]=C1Nc2cc(N)ccc2O[C@H]1C 75486088 573589614 /nfs/dbraw/zinc/58/96/14/573589614.db2.gz WHEQZFNAJSTPAR-LURJTMIESA-N 1 2 191.234 1.299 10 0 ADAELO CC(C)Nc1cc(NC2CC2)nc[nH+]1 258809415 573591320 /nfs/dbraw/zinc/59/13/20/573591320.db2.gz UTJVAFXTBZPRSH-UHFFFAOYSA-N 1 2 192.266 1.871 10 0 ADAELO CC(C)Nc1cc(NC2CC2)[nH+]cn1 258809415 573591324 /nfs/dbraw/zinc/59/13/24/573591324.db2.gz UTJVAFXTBZPRSH-UHFFFAOYSA-N 1 2 192.266 1.871 10 0 ADAELO CCC[C@]([NH3+])(C(=O)OC)C(C)(C)F 257833716 573591574 /nfs/dbraw/zinc/59/15/74/573591574.db2.gz KDFKGICKNTXCAH-VIFPVBQESA-N 1 2 191.246 1.405 10 0 ADAELO Cc1cc(N)[nH+]c(CO)c1C(F)F 238456062 573594876 /nfs/dbraw/zinc/59/48/76/573594876.db2.gz YKTDDQKGFXOVNF-UHFFFAOYSA-N 1 2 188.177 1.402 10 0 ADAELO OCC1(C[N@@H+]2CCC(F)(F)C2)CC1 259522207 573596302 /nfs/dbraw/zinc/59/63/02/573596302.db2.gz PTUSEHGLYFXGMA-UHFFFAOYSA-N 1 2 191.221 1.100 10 0 ADAELO OCC1(C[N@H+]2CCC(F)(F)C2)CC1 259522207 573596306 /nfs/dbraw/zinc/59/63/06/573596306.db2.gz PTUSEHGLYFXGMA-UHFFFAOYSA-N 1 2 191.221 1.100 10 0 ADAELO CCN1c2cc(N)ccc2[NH2+]C[C@@H]1C 259135672 573596545 /nfs/dbraw/zinc/59/65/45/573596545.db2.gz HBEQXOJSZGVJLB-QMMMGPOBSA-N 1 2 191.278 1.909 10 0 ADAELO CCN1c2cc([NH3+])ccc2NC[C@@H]1C 259135672 573596549 /nfs/dbraw/zinc/59/65/49/573596549.db2.gz HBEQXOJSZGVJLB-QMMMGPOBSA-N 1 2 191.278 1.909 10 0 ADAELO Cc1c(CO)c[nH+]c(N)c1C(F)F 238457677 573598790 /nfs/dbraw/zinc/59/87/90/573598790.db2.gz NNLKVACPKLIMJI-UHFFFAOYSA-N 1 2 188.177 1.402 10 0 ADAELO CC[N@@H+]1Cc2cc(N)c(OC)nc2C1 257835984 573598910 /nfs/dbraw/zinc/59/89/10/573598910.db2.gz KRRXVVRKRCNEDB-UHFFFAOYSA-N 1 2 193.250 1.008 10 0 ADAELO CC[N@H+]1Cc2cc(N)c(OC)nc2C1 257835984 573598917 /nfs/dbraw/zinc/59/89/17/573598917.db2.gz KRRXVVRKRCNEDB-UHFFFAOYSA-N 1 2 193.250 1.008 10 0 ADAELO CC[C@@H](CO)C[N@@H+]1CCC(F)(F)C1 259524169 573600297 /nfs/dbraw/zinc/60/02/97/573600297.db2.gz PVLCREWMDFCPRL-MRVPVSSYSA-N 1 2 193.237 1.346 10 0 ADAELO CC[C@@H](CO)C[N@H+]1CCC(F)(F)C1 259524169 573600304 /nfs/dbraw/zinc/60/03/04/573600304.db2.gz PVLCREWMDFCPRL-MRVPVSSYSA-N 1 2 193.237 1.346 10 0 ADAELO C[C@@H]1CNc2cc([NH+](C)C)ccc2N1 238457670 573600357 /nfs/dbraw/zinc/60/03/57/573600357.db2.gz FUZWRHWOEOQKBG-MRVPVSSYSA-N 1 2 191.278 1.979 10 0 ADAELO C[C@@H]1CNc2cc(N(C)C)ccc2[NH2+]1 238457670 573600364 /nfs/dbraw/zinc/60/03/64/573600364.db2.gz FUZWRHWOEOQKBG-MRVPVSSYSA-N 1 2 191.278 1.979 10 0 ADAELO Cc1[nH+]c([C@H](C)[C@H](C)O)nc(N)c1C 238457194 573601366 /nfs/dbraw/zinc/60/13/66/573601366.db2.gz IDUWXFHYUXZNAK-SVRRBLITSA-N 1 2 195.266 1.160 10 0 ADAELO Cc1[nH]c(C(C)C)[nH+]c1C=O 75539582 573601662 /nfs/dbraw/zinc/60/16/62/573601662.db2.gz NZVNALQAPULNDI-UHFFFAOYSA-N 1 2 152.197 1.654 10 0 ADAELO Cn1cc[nH+]c1Cc1cnc(N)s1 86748977 573603405 /nfs/dbraw/zinc/60/34/05/573603405.db2.gz DDRIKFQPRYJCRJ-UHFFFAOYSA-N 1 2 194.263 1.050 10 0 ADAELO CCOC(=[NH2+])[C@@H]1CCCO1 83714305 573602699 /nfs/dbraw/zinc/60/26/99/573602699.db2.gz YDXRRUJLKUZOIZ-LURJTMIESA-N 1 2 143.186 1.179 10 0 ADAELO CCC(CC)CN1C(=O)[C@@H](C)[NH2+][C@@H]1C 130575311 573606515 /nfs/dbraw/zinc/60/65/15/573606515.db2.gz PRYRBHDHXWSPGJ-BDAKNGLRSA-N 1 2 198.310 1.589 10 0 ADAELO Cn1cc[nH+]c1C[C@H]1CCCC(=O)C1 86753672 573606027 /nfs/dbraw/zinc/60/60/27/573606027.db2.gz RGWSLNBMKDVDKW-VIFPVBQESA-N 1 2 192.262 1.722 10 0 ADAELO CN1CC[NH2+]c2ccc(N)cc21 259140483 573603610 /nfs/dbraw/zinc/60/36/10/573603610.db2.gz HFOSEESAIXPMTF-UHFFFAOYSA-N 1 2 163.224 1.131 10 0 ADAELO CN1CCNc2ccc([NH3+])cc21 259140483 573603612 /nfs/dbraw/zinc/60/36/12/573603612.db2.gz HFOSEESAIXPMTF-UHFFFAOYSA-N 1 2 163.224 1.131 10 0 ADAELO C[C@H]1C[NH2+]c2ccc(N)cc2N1 238446554 573603745 /nfs/dbraw/zinc/60/37/45/573603745.db2.gz ULTZHBFFPLCHJU-LURJTMIESA-N 1 2 163.224 1.495 10 0 ADAELO C[C@H]1CNc2ccc([NH3+])cc2N1 238446554 573603754 /nfs/dbraw/zinc/60/37/54/573603754.db2.gz ULTZHBFFPLCHJU-LURJTMIESA-N 1 2 163.224 1.495 10 0 ADAELO CC[C@H](C)[C@@H](C)[NH2+]N1CCN(C)CC1 214448079 573604016 /nfs/dbraw/zinc/60/40/16/573604016.db2.gz HWWLITVSMOPZGD-WDEREUQCSA-N 1 2 199.342 1.173 10 0 ADAELO CO[C@@H]([NH3+])c1ccc(C)o1 259123435 573604224 /nfs/dbraw/zinc/60/42/24/573604224.db2.gz AMHXHFHMWCWWIN-SSDOTTSWSA-N 1 2 141.170 1.192 10 0 ADAELO CO[C@H]([NH3+])c1ccc(C)o1 259123438 573604258 /nfs/dbraw/zinc/60/42/58/573604258.db2.gz AMHXHFHMWCWWIN-ZETCQYMHSA-N 1 2 141.170 1.192 10 0 ADAELO CCOC(=[NH2+])[C@H]1CCCO1 83714306 573604395 /nfs/dbraw/zinc/60/43/95/573604395.db2.gz YDXRRUJLKUZOIZ-ZCFIWIBFSA-N 1 2 143.186 1.179 10 0 ADAELO CC[C@@H](C)[C@@H](C)[NH2+]N1CCN(C)CC1 214448018 573604421 /nfs/dbraw/zinc/60/44/21/573604421.db2.gz HWWLITVSMOPZGD-GHMZBOCLSA-N 1 2 199.342 1.173 10 0 ADAELO Cc1[nH+]c([C@@H](C)[C@@H](C)O)nc(N)c1C 238446105 573604728 /nfs/dbraw/zinc/60/47/28/573604728.db2.gz IDUWXFHYUXZNAK-POYBYMJQSA-N 1 2 195.266 1.160 10 0 ADAELO C[C@@H]1[C@H](c2ccccc2)O[C@@H]([NH3+])N1C 238446549 573604788 /nfs/dbraw/zinc/60/47/88/573604788.db2.gz KHSUYHQKAPWTHG-IEBDPFPHSA-N 1 2 192.262 1.321 10 0 ADAELO C[C@@H]1CN2CCC[NH2+][C@@H]2c2cccn21 238447084 573604857 /nfs/dbraw/zinc/60/48/57/573604857.db2.gz PIGADQXXQCCIBF-KOLCDFICSA-N 1 2 191.278 1.357 10 0 ADAELO C[C@H]1C(=O)CC[C@@H]1Cc1[nH+]ccn1C 86753785 573604909 /nfs/dbraw/zinc/60/49/09/573604909.db2.gz WFKGRTKDEHFJBH-RKDXNWHRSA-N 1 2 192.262 1.578 10 0 ADAELO Cn1cc[nH+]c1C[C@@H]1CCCC1=O 86753271 573605022 /nfs/dbraw/zinc/60/50/22/573605022.db2.gz XTUMQSGNAGQGIZ-QMMMGPOBSA-N 1 2 178.235 1.332 10 0 ADAELO Cn1cc[nH+]c1CC1=C[C@@H](O)CC1 86754658 573605290 /nfs/dbraw/zinc/60/52/90/573605290.db2.gz SNFVDTKHUXLHNW-VIFPVBQESA-N 1 2 178.235 1.044 10 0 ADAELO O=C1CC[N@H+](CC2(C3CC3)CC2)C1 236402985 573605300 /nfs/dbraw/zinc/60/53/00/573605300.db2.gz VFEBMKDYXCRQEH-UHFFFAOYSA-N 1 2 179.263 1.451 10 0 ADAELO O=C1CC[N@@H+](CC2(C3CC3)CC2)C1 236402985 573605306 /nfs/dbraw/zinc/60/53/06/573605306.db2.gz VFEBMKDYXCRQEH-UHFFFAOYSA-N 1 2 179.263 1.451 10 0 ADAELO CCC(CC)CN1C(=O)[C@H](C)[NH2+][C@@H]1C 130575738 573605311 /nfs/dbraw/zinc/60/53/11/573605311.db2.gz PRYRBHDHXWSPGJ-IUCAKERBSA-N 1 2 198.310 1.589 10 0 ADAELO C[C@@H]1C(=O)CC[C@H]1Cc1[nH+]ccn1C 86753782 573605552 /nfs/dbraw/zinc/60/55/52/573605552.db2.gz WFKGRTKDEHFJBH-IUCAKERBSA-N 1 2 192.262 1.578 10 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/nfs/dbraw/zinc/60/79/69/573607969.db2.gz PGQSJMDGGCTJQR-MRVPVSSYSA-N 1 2 184.283 1.200 10 0 ADAELO NC1=[NH+]O[C@@H](c2cccc(F)c2)C1 257837094 573607988 /nfs/dbraw/zinc/60/79/88/573607988.db2.gz LHIVQHNYMFGDEE-MRVPVSSYSA-N 1 2 180.182 1.559 10 0 ADAELO CC[C@]1(C(=O)OC)CCCC[NH2+]1 142721318 573608013 /nfs/dbraw/zinc/60/80/13/573608013.db2.gz BDAPWOWLAJBINL-SECBINFHSA-N 1 2 171.240 1.082 10 0 ADAELO Cn1cc[nH+]c1C[C@@H]1CCCCC1=O 86753261 573608066 /nfs/dbraw/zinc/60/80/66/573608066.db2.gz RYLFYOVTMVXEOV-VIFPVBQESA-N 1 2 192.262 1.722 10 0 ADAELO CCC(CC)CN1C(=O)C[NH2+][C@@H]1C 130587078 573608175 /nfs/dbraw/zinc/60/81/75/573608175.db2.gz PGQSJMDGGCTJQR-QMMMGPOBSA-N 1 2 184.283 1.200 10 0 ADAELO Cn1cc[nH+]c1C[C@@H]1CCC(=O)C1 86753682 573608336 /nfs/dbraw/zinc/60/83/36/573608336.db2.gz SNWKWEJBQMJQDG-MRVPVSSYSA-N 1 2 178.235 1.332 10 0 ADAELO C[C@H](O)Cc1[nH+]c2ccccc2n1C 86755466 573608351 /nfs/dbraw/zinc/60/83/51/573608351.db2.gz ZPKAJCCVPBRTJL-QMMMGPOBSA-N 1 2 190.246 1.497 10 0 ADAELO CC1(C)Nc2ccccc2C[NH2+]1 142754274 573608397 /nfs/dbraw/zinc/60/83/97/573608397.db2.gz PYECDLRXBSIOGQ-UHFFFAOYSA-N 1 2 162.236 1.938 10 0 ADAELO CC[C@@H](C)[C@H](C)[NH2+]N1CCN(C)CC1 214448133 573608476 /nfs/dbraw/zinc/60/84/76/573608476.db2.gz HWWLITVSMOPZGD-MNOVXSKESA-N 1 2 199.342 1.173 10 0 ADAELO C[C@@H]1C(=O)CC[C@@H]1Cc1[nH+]ccn1C 86753787 573608528 /nfs/dbraw/zinc/60/85/28/573608528.db2.gz WFKGRTKDEHFJBH-DTWKUNHWSA-N 1 2 192.262 1.578 10 0 ADAELO Cn1cc[nH+]c1CC1=C[C@@H](O)CCC1 86754643 573608542 /nfs/dbraw/zinc/60/85/42/573608542.db2.gz YNKPYAJUARTNSX-JTQLQIEISA-N 1 2 192.262 1.434 10 0 ADAELO Cn1cc[nH+]c1CC1=C[C@H](O)CCC1 86754641 573608780 /nfs/dbraw/zinc/60/87/80/573608780.db2.gz YNKPYAJUARTNSX-SNVBAGLBSA-N 1 2 192.262 1.434 10 0 ADAELO Cn1cc[nH+]c1CC1=C[C@H](O)CC1 86754657 573608869 /nfs/dbraw/zinc/60/88/69/573608869.db2.gz SNFVDTKHUXLHNW-SECBINFHSA-N 1 2 178.235 1.044 10 0 ADAELO CC[C@H](C)[C@H](C)[NH2+]N1CCN(C)CC1 214448188 573609609 /nfs/dbraw/zinc/60/96/09/573609609.db2.gz HWWLITVSMOPZGD-QWRGUYRKSA-N 1 2 199.342 1.173 10 0 ADAELO C[C@@H](O)Cc1[nH+]c2ccccc2n1C 86755468 573609074 /nfs/dbraw/zinc/60/90/74/573609074.db2.gz ZPKAJCCVPBRTJL-MRVPVSSYSA-N 1 2 190.246 1.497 10 0 ADAELO CCn1cc[nH+]c1C[C@H]1CCC(=O)C1 86753690 573609197 /nfs/dbraw/zinc/60/91/97/573609197.db2.gz LCSPREUYXSERJQ-VIFPVBQESA-N 1 2 192.262 1.815 10 0 ADAELO C[NH2+][C@H](C)c1noc(CC(C)(C)C)n1 258068595 573609525 /nfs/dbraw/zinc/60/95/25/573609525.db2.gz QGEQJYUIJVGQGF-SSDOTTSWSA-N 1 2 197.282 1.939 10 0 ADAELO Cc1cc[nH+]cc1N[C@@H](C)C(C)(C)O 83728121 573609651 /nfs/dbraw/zinc/60/96/51/573609651.db2.gz FDLLSEDZYKLUOE-VIFPVBQESA-N 1 2 194.278 1.961 10 0 ADAELO CCn1cc[nH+]c1C[C@@H]1CCCC1=O 86753280 573609727 /nfs/dbraw/zinc/60/97/27/573609727.db2.gz QWDURSHUIYBFAW-VIFPVBQESA-N 1 2 192.262 1.815 10 0 ADAELO CC(C)Cc1ccc([C@H]([NH3+])NN)cc1 259125598 573610860 /nfs/dbraw/zinc/61/08/60/573610860.db2.gz AQQKBFKDWRYYFT-LLVKDONJSA-N 1 2 193.294 1.306 10 0 ADAELO CN(C)c1nc[nH+]c2cc(N)ccc12 83729726 573612356 /nfs/dbraw/zinc/61/23/56/573612356.db2.gz HAJXUWOTDSPBJS-UHFFFAOYSA-N 1 2 188.234 1.278 10 0 ADAELO Cn1ccc(Nc2ccc(N)[nH+]c2)n1 86778912 573612080 /nfs/dbraw/zinc/61/20/80/573612080.db2.gz QBSOAEFJLROFEI-UHFFFAOYSA-N 1 2 189.222 1.141 10 0 ADAELO CC(C)Cc1ccc([C@@H]([NH3+])NN)cc1 259125603 573612194 /nfs/dbraw/zinc/61/21/94/573612194.db2.gz AQQKBFKDWRYYFT-NSHDSACASA-N 1 2 193.294 1.306 10 0 ADAELO CCCc1c[nH+]c(CCCO)[nH]1 259129214 573612278 /nfs/dbraw/zinc/61/22/78/573612278.db2.gz QRUBSEUQFFJCBU-UHFFFAOYSA-N 1 2 168.240 1.287 10 0 ADAELO O=Cc1cc2c[nH+]c3cccc1n23 75558675 573612510 /nfs/dbraw/zinc/61/25/10/573612510.db2.gz ALYAAOIKOXOPCO-UHFFFAOYSA-N 1 2 170.171 1.738 10 0 ADAELO CC1CCC([C@@H]([NH3+])c2ncn[nH]2)CC1 83746374 573613748 /nfs/dbraw/zinc/61/37/48/573613748.db2.gz JSSOCJMYJNMFBO-AMDVSUOASA-N 1 2 194.282 1.631 10 0 ADAELO CCOC(=O)C[C@H](C)[NH2+]CC(F)F 147565657 573613766 /nfs/dbraw/zinc/61/37/66/573613766.db2.gz IYGJVHAYPOQOBY-LURJTMIESA-N 1 2 195.209 1.183 10 0 ADAELO C[NH2+][C@@H](c1nnc[nH]1)c1cccs1 83746593 573614870 /nfs/dbraw/zinc/61/48/70/573614870.db2.gz CBYHTJNXCHTDRT-SSDOTTSWSA-N 1 2 194.263 1.175 10 0 ADAELO Nc1c[nH+]cc2c1CCCCC2 107456455 573614985 /nfs/dbraw/zinc/61/49/85/573614985.db2.gz DMWVXYDYNARMGT-UHFFFAOYSA-N 1 2 162.236 1.933 10 0 ADAELO Cn1cc(Nc2ccc(N)[nH+]c2)cn1 86778574 573615200 /nfs/dbraw/zinc/61/52/00/573615200.db2.gz JYEIKJXHXGZNMX-UHFFFAOYSA-N 1 2 189.222 1.141 10 0 ADAELO CC1CCC([C@H]([NH3+])c2ncn[nH]2)CC1 83746373 573615204 /nfs/dbraw/zinc/61/52/04/573615204.db2.gz JSSOCJMYJNMFBO-HACHORDNSA-N 1 2 194.282 1.631 10 0 ADAELO C[C@H]1[NH2+]Cc2ccccc2N(C)C1=O 83748275 573615249 /nfs/dbraw/zinc/61/52/49/573615249.db2.gz IFUDBYHTZQLQGN-MRVPVSSYSA-N 1 2 190.246 1.141 10 0 ADAELO [NH3+][C@@H](Cc1cccs1)c1ncn[nH]1 83746134 573615339 /nfs/dbraw/zinc/61/53/39/573615339.db2.gz IWAOBELARZHQGX-ZETCQYMHSA-N 1 2 194.263 1.109 10 0 ADAELO C[C@@H]1CCC[C@@H]([C@H]([NH3+])c2ncn[nH]2)C1 83746160 573615488 /nfs/dbraw/zinc/61/54/88/573615488.db2.gz RGMFGQYVTNLOPA-HLTSFMKQSA-N 1 2 194.282 1.631 10 0 ADAELO C[C@@H]1CCc2c(N)c[nH+]cc2C1 107456457 573615558 /nfs/dbraw/zinc/61/55/58/573615558.db2.gz XYEBAYZNQUCTCJ-SSDOTTSWSA-N 1 2 162.236 1.789 10 0 ADAELO C[NH2+][C@@H](c1ncn[nH]1)C1CCCC1 83746672 573617440 /nfs/dbraw/zinc/61/74/40/573617440.db2.gz MGQKAEPKCUHWDX-MRVPVSSYSA-N 1 2 180.255 1.255 10 0 ADAELO Cc1ccccc1[C@H]([NH3+])c1nnc[nH]1 83746198 573617480 /nfs/dbraw/zinc/61/74/80/573617480.db2.gz UFCRXRMKYKDQHV-VIFPVBQESA-N 1 2 188.234 1.161 10 0 ADAELO Cc1ccccc1[C@H]([NH3+])c1nc[nH]n1 83746198 573617488 /nfs/dbraw/zinc/61/74/88/573617488.db2.gz UFCRXRMKYKDQHV-VIFPVBQESA-N 1 2 188.234 1.161 10 0 ADAELO C[C@@H]1CCC[C@H]([C@H]([NH3+])c2ncn[nH]2)C1 83746158 573617717 /nfs/dbraw/zinc/61/77/17/573617717.db2.gz RGMFGQYVTNLOPA-VGMNWLOBSA-N 1 2 194.282 1.631 10 0 ADAELO Cn1ccc(NC(=[NH2+])C2CC2)n1 86781436 573617821 /nfs/dbraw/zinc/61/78/21/573617821.db2.gz KMZUIHASZGHPHU-UHFFFAOYSA-N 1 2 164.212 1.219 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198.266 1.219 10 0 ADAELO O=C1C[NH2+][C@H](c2cccc(F)c2)C1 258826719 573639904 /nfs/dbraw/zinc/63/99/04/573639904.db2.gz IWTONXXFIRJAIZ-JTQLQIEISA-N 1 2 179.194 1.429 10 0 ADAELO COC(=O)[C@]([NH3+])([C@H](C)F)C(C)(C)C 257844976 573640916 /nfs/dbraw/zinc/64/09/16/573640916.db2.gz NJNNPNUFWAJKOA-IMTBSYHQSA-N 1 2 191.246 1.261 10 0 ADAELO COC[C@@H](C)[C@@H](C)n1c[nH+]cc1CO 308652342 573640921 /nfs/dbraw/zinc/64/09/21/573640921.db2.gz LDDNSYAYTDYIHV-RKDXNWHRSA-N 1 2 198.266 1.219 10 0 ADAELO COC(=O)[C@@]([NH3+])([C@H](C)F)C(C)(C)C 257844980 573641181 /nfs/dbraw/zinc/64/11/81/573641181.db2.gz NJNNPNUFWAJKOA-RCOVLWMOSA-N 1 2 191.246 1.261 10 0 ADAELO COC[C@H](C)[C@H](C)n1c[nH+]cc1CO 308652341 573641418 /nfs/dbraw/zinc/64/14/18/573641418.db2.gz LDDNSYAYTDYIHV-IUCAKERBSA-N 1 2 198.266 1.219 10 0 ADAELO CCn1c(C)c[nH+]c1COC 257845691 573641519 /nfs/dbraw/zinc/64/15/19/573641519.db2.gz AHBRNSQKUFEFNK-UHFFFAOYSA-N 1 2 154.213 1.358 10 0 ADAELO Cc1c[nH+]c(N)c(C(=O)[C@@H]2C[C@@H]2C)c1 83806952 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COC(=O)C[N@@H+](C)CC=C1CCC1 308424854 573701655 /nfs/dbraw/zinc/70/16/55/573701655.db2.gz QLYNYTXFPVCLLG-UHFFFAOYSA-N 1 2 183.251 1.202 10 0 ADAELO CCc1cc[nH+]cc1C[C@H](C)O 259169819 573701722 /nfs/dbraw/zinc/70/17/22/573701722.db2.gz HWIIXBSCHOZKJJ-QMMMGPOBSA-N 1 2 165.236 1.567 10 0 ADAELO CC(C)CN(C)c1c[nH+]cc(N)c1 122102957 573701836 /nfs/dbraw/zinc/70/18/36/573701836.db2.gz RBJJXQRWOAAVDG-UHFFFAOYSA-N 1 2 179.267 1.756 10 0 ADAELO OCc1cccc(F)c1-n1cc[nH+]c1 236505997 573701839 /nfs/dbraw/zinc/70/18/39/573701839.db2.gz OYVWNBPORORIEI-UHFFFAOYSA-N 1 2 192.193 1.504 10 0 ADAELO Cc1[nH+]cc(O)c(C(F)F)c1N 238483354 573701977 /nfs/dbraw/zinc/70/19/77/573701977.db2.gz QAJVLLXVDZLUPY-UHFFFAOYSA-N 1 2 174.150 1.615 10 0 ADAELO CN(c1c[nH+]cc(N)c1)C1CC1 122095465 573701980 /nfs/dbraw/zinc/70/19/80/573701980.db2.gz YMXNFLZUPRPQFK-UHFFFAOYSA-N 1 2 163.224 1.262 10 0 ADAELO Cc1[nH+]c([C@@H](C)[C@H](C)O)nc(N)c1C 238483357 573703126 /nfs/dbraw/zinc/70/31/26/573703126.db2.gz IDUWXFHYUXZNAK-XPUUQOCRSA-N 1 2 195.266 1.160 10 0 ADAELO Cc1nccc([C@H]2[NH2+][C@H](C)CS2)n1 124912660 573703256 /nfs/dbraw/zinc/70/32/56/573703256.db2.gz QKCJODQQEFVCGM-MUWHJKNJSA-N 1 2 195.291 1.509 10 0 ADAELO C[C@@H](C1CC1)N(C)c1c[nH+]cc(N)c1 122150865 573703427 /nfs/dbraw/zinc/70/34/27/573703427.db2.gz RASBIFUOKXCXIR-QMMMGPOBSA-N 1 2 191.278 1.899 10 0 ADAELO Cc1ccccc1[C@@H]1[NH2+]CCCC1=O 258886504 573703450 /nfs/dbraw/zinc/70/34/50/573703450.db2.gz NAYHDENDALNWPB-LBPRGKRZSA-N 1 2 189.258 1.989 10 0 ADAELO C[C@@H](Nc1c[nH+]cc(N)c1)C1CC1 122134384 573704389 /nfs/dbraw/zinc/70/43/89/573704389.db2.gz XQLVJIQRJGLSIQ-SSDOTTSWSA-N 1 2 177.251 1.874 10 0 ADAELO Cc1nccc([C@@H]2[NH2+][C@@H](C)CS2)n1 124912819 573704600 /nfs/dbraw/zinc/70/46/00/573704600.db2.gz QKCJODQQEFVCGM-IMTBSYHQSA-N 1 2 195.291 1.509 10 0 ADAELO Cc1[nH+]c(C(C)(C)O)n2ccccc12 75846010 573704630 /nfs/dbraw/zinc/70/46/30/573704630.db2.gz XDWKVGWLKWIVCT-UHFFFAOYSA-N 1 2 190.246 1.870 10 0 ADAELO O=Cc1cc(-n2cc[nH+]c2)ccc1F 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199.294 1.884 10 0 ADAELO Cc1ccc(C2=[NH+]CCCN2)c(O)c1 238477468 573708039 /nfs/dbraw/zinc/70/80/39/573708039.db2.gz DKNUUSRDJALTFY-UHFFFAOYSA-N 1 2 190.246 1.441 10 0 ADAELO CC1=CC(C)=[NH+]c2cncnc2N1 238477660 573707798 /nfs/dbraw/zinc/70/77/98/573707798.db2.gz HRHHSGGDZXSFOF-UHFFFAOYSA-N 1 2 174.207 1.898 10 0 ADAELO COC(=O)[C@]([NH3+])(C1CC1)C(C)(C)F 257850522 573708144 /nfs/dbraw/zinc/70/81/44/573708144.db2.gz OUNCXKZYFNSIDB-SECBINFHSA-N 1 2 189.230 1.015 10 0 ADAELO C[NH2+][C@@H](NN)c1ccc(Cl)cc1 259176964 573708465 /nfs/dbraw/zinc/70/84/65/573708465.db2.gz JPWZXPWAUUNZEL-QMMMGPOBSA-N 1 2 185.658 1.021 10 0 ADAELO COc1ccc(C)cc1[C@H](O)[NH+](C)C 259559700 573708620 /nfs/dbraw/zinc/70/86/20/573708620.db2.gz ORKPXPNHTDCUJJ-NSHDSACASA-N 1 2 195.262 1.556 10 0 ADAELO Cc1[nH+]c([C@H](C)O)n(C)c1C 75852964 573708882 /nfs/dbraw/zinc/70/88/82/573708882.db2.gz CYSTZDVQMHTMFH-ZETCQYMHSA-N 1 2 154.213 1.090 10 0 ADAELO Cc1cnc(C[NH+](C)C)n1C(C)C 257850501 573709143 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573721994 /nfs/dbraw/zinc/72/19/94/573721994.db2.gz FLCBTLJCKUNPBR-UHFFFAOYSA-N 1 2 185.267 1.078 10 0 ADAELO CCc1[nH]n(C(C)C)c(=O)c1C[NH3+] 258104343 573722256 /nfs/dbraw/zinc/72/22/56/573722256.db2.gz YJUVFHGVWJJBFI-UHFFFAOYSA-N 1 2 183.255 1.191 10 0 ADAELO c1cc2c(s1)OC[NH2+]C2 238042529 573722311 /nfs/dbraw/zinc/72/23/11/573722311.db2.gz WAYVDISREKTKKK-UHFFFAOYSA-N 1 2 141.195 1.188 10 0 ADAELO COCCCC[NH2+]OC1CCCC1 130881654 573722327 /nfs/dbraw/zinc/72/23/27/573722327.db2.gz DCDFDWBGINXFIH-UHFFFAOYSA-N 1 2 187.283 1.877 10 0 ADAELO c1n[nH]c([C@H]2CCCCC[NH2+]2)n1 75868904 573722424 /nfs/dbraw/zinc/72/24/24/573722424.db2.gz HQIUWSAVOMNVFY-SSDOTTSWSA-N 1 2 166.228 1.009 10 0 ADAELO c1n[nH]c([C@@H]2CCCCC[NH2+]2)n1 75868903 573722760 /nfs/dbraw/zinc/72/27/60/573722760.db2.gz HQIUWSAVOMNVFY-ZETCQYMHSA-N 1 2 166.228 1.009 10 0 ADAELO Nc1cc[nH+]c(CCC(F)(F)F)n1 86980793 573723114 /nfs/dbraw/zinc/72/31/14/573723114.db2.gz KZBUFBHADIRFBD-UHFFFAOYSA-N 1 2 191.156 1.554 10 0 ADAELO 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ADAELO COCC[C@@H](C)[N@@H+]1CCCC(=O)C1 162355903 573827786 /nfs/dbraw/zinc/82/77/86/573827786.db2.gz LDRSSSIBMXSIDV-SECBINFHSA-N 1 2 185.267 1.076 10 0 ADAELO COCC[C@@H](C)[N@H+]1CCCC(=O)C1 162355903 573827795 /nfs/dbraw/zinc/82/77/95/573827795.db2.gz LDRSSSIBMXSIDV-SECBINFHSA-N 1 2 185.267 1.076 10 0 ADAELO C[Si](C)(C)C[C@@H]1CC(N)=[NH+]O1 238526639 573828096 /nfs/dbraw/zinc/82/80/96/573828096.db2.gz KHNGZUVBMJIFFI-LURJTMIESA-N 1 2 172.304 1.386 10 0 ADAELO CCCC[C@@H]([NH2+]C1CC1)C(=O)OC 41053365 573828285 /nfs/dbraw/zinc/82/82/85/573828285.db2.gz RNJKIWHQDBLJBE-SECBINFHSA-N 1 2 185.267 1.470 10 0 ADAELO CC(=O)[C@H]([NH3+])c1ccc2nc[nH]c2c1 259206156 573828394 /nfs/dbraw/zinc/82/83/94/573828394.db2.gz IMNSCDSLJSRZEI-JTQLQIEISA-N 1 2 189.218 1.152 10 0 ADAELO Cc1[nH+]c(COC(C)C)cn1C 258142105 573828617 /nfs/dbraw/zinc/82/86/17/573828617.db2.gz KVICNZXTEYISEB-UHFFFAOYSA-N 1 2 168.240 1.654 10 0 ADAELO Cn1c[nH+]cc1OC1CCC1 238531360 573828675 /nfs/dbraw/zinc/82/86/75/573828675.db2.gz 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196.225 1.255 10 0 ADAELO CN(c1cccc[nH+]1)[C@@H]1COC[C@@H]1F 585297513 573843279 /nfs/dbraw/zinc/84/32/79/573843279.db2.gz FWTXSUSDMHORJD-DTWKUNHWSA-N 1 2 196.225 1.255 10 0 ADAELO CC(C)[C@H]([NH2+]N)C(C1CC1)C1CC1 393565223 573843298 /nfs/dbraw/zinc/84/32/98/573843298.db2.gz PWCWBKOAHGIOPA-NSHDSACASA-N 1 2 182.311 1.911 10 0 ADAELO CN(c1cccc[nH+]1)[C@@H]1CCC[C@@H]1O 585297493 573843321 /nfs/dbraw/zinc/84/33/21/573843321.db2.gz FNDNBRSOMBUIJN-ZJUUUORDSA-N 1 2 192.262 1.431 10 0 ADAELO CN(c1cccc[nH+]1)[C@H]1CCC[C@@H]1O 585297491 573843332 /nfs/dbraw/zinc/84/33/32/573843332.db2.gz FNDNBRSOMBUIJN-UWVGGRQHSA-N 1 2 192.262 1.431 10 0 ADAELO C[N@H+](Cc1cnc[nH]1)[C@H]1CCC[C@H]1F 585296921 573843348 /nfs/dbraw/zinc/84/33/48/573843348.db2.gz OXHFEXOGNXLKJX-ZJUUUORDSA-N 1 2 197.257 1.732 10 0 ADAELO C[N@@H+](Cc1cnc[nH]1)[C@H]1CCC[C@H]1F 585296921 573843349 /nfs/dbraw/zinc/84/33/49/573843349.db2.gz OXHFEXOGNXLKJX-ZJUUUORDSA-N 1 2 197.257 1.732 10 0 ADAELO Cc1ccc(C(=O)C[NH+](C)C)cn1 78677327 573843484 /nfs/dbraw/zinc/84/34/84/573843484.db2.gz NPYIOYAXGVTHMV-UHFFFAOYSA-N 1 2 178.235 1.134 10 0 ADAELO C[N@H+](Cc1cnc[nH]1)[C@@H]1CCC[C@H]1F 585296918 573843695 /nfs/dbraw/zinc/84/36/95/573843695.db2.gz OXHFEXOGNXLKJX-NXEZZACHSA-N 1 2 197.257 1.732 10 0 ADAELO C[N@@H+](Cc1cnc[nH]1)[C@@H]1CCC[C@H]1F 585296918 573843702 /nfs/dbraw/zinc/84/37/02/573843702.db2.gz OXHFEXOGNXLKJX-NXEZZACHSA-N 1 2 197.257 1.732 10 0 ADAELO CC(C)[C@@H]([NH2+]N)C(C1CC1)C1CC1 393565222 573843716 /nfs/dbraw/zinc/84/37/16/573843716.db2.gz PWCWBKOAHGIOPA-LLVKDONJSA-N 1 2 182.311 1.911 10 0 ADAELO CN(c1cccc[nH+]1)[C@H]1CCC[C@H]1O 585297492 573843870 /nfs/dbraw/zinc/84/38/70/573843870.db2.gz FNDNBRSOMBUIJN-VHSXEESVSA-N 1 2 192.262 1.431 10 0 ADAELO Nc1[nH+]cccc1NN1CCCCC1 122890982 573843895 /nfs/dbraw/zinc/84/38/95/573843895.db2.gz GPJHLDGNJVGYOV-UHFFFAOYSA-N 1 2 192.266 1.477 10 0 ADAELO Cc1nc2cccc3[nH]c(N)[nH+]c3c-2n1 238524699 573844703 /nfs/dbraw/zinc/84/47/03/573844703.db2.gz PNVZTNJNZFGSOL-UHFFFAOYSA-N 1 2 199.217 1.348 10 0 ADAELO CC(C)OCCOc1cc(N)cc[nH+]1 43569482 573844977 /nfs/dbraw/zinc/84/49/77/573844977.db2.gz LHLGBPXESDSUOV-UHFFFAOYSA-N 1 2 196.250 1.468 10 0 ADAELO Cc1ccc2[nH+]c(N)[nH]c2c1F 238535660 573845227 /nfs/dbraw/zinc/84/52/27/573845227.db2.gz NLFQXQKAQYJPCR-UHFFFAOYSA-N 1 2 165.171 1.593 10 0 ADAELO CCSCc1cn(C)c[nH+]1 258160645 573845344 /nfs/dbraw/zinc/84/53/44/573845344.db2.gz LRXJAYXQPAYUKU-UHFFFAOYSA-N 1 2 156.254 1.673 10 0 ADAELO CN(c1cccc[nH+]1)[C@H]1CC[C@@H]1O 585298547 573845623 /nfs/dbraw/zinc/84/56/23/573845623.db2.gz XAHAZQFVZLPHOO-IUCAKERBSA-N 1 2 178.235 1.041 10 0 ADAELO [NH3+]c1ccc2c(c1)C[C@@H]1[C@H]3C[C@H]3CN21 257888230 573847957 /nfs/dbraw/zinc/84/79/57/573847957.db2.gz NALWTJXQPPJGAX-PTOFAABTSA-N 1 2 186.258 1.650 10 0 ADAELO CC[N@@H+]1CCCC[C@@H]1n1cc(O)cn1 257888219 573848266 /nfs/dbraw/zinc/84/82/66/573848266.db2.gz GFIXKVNZOZBIOK-JTQLQIEISA-N 1 2 195.266 1.593 10 0 ADAELO CC[N@H+]1CCCC[C@@H]1n1cc(O)cn1 257888219 573848272 /nfs/dbraw/zinc/84/82/72/573848272.db2.gz GFIXKVNZOZBIOK-JTQLQIEISA-N 1 2 195.266 1.593 10 0 ADAELO F[C@H]1COC[C@@H]1Nc1cccc[nH+]1 585298463 573848372 /nfs/dbraw/zinc/84/83/72/573848372.db2.gz VTBUSQILXQLNFH-YUMQZZPRSA-N 1 2 182.198 1.230 10 0 ADAELO CN(c1cccc[nH+]1)[C@H]1CC[C@H]1O 585298546 573849897 /nfs/dbraw/zinc/84/98/97/573849897.db2.gz XAHAZQFVZLPHOO-DTWKUNHWSA-N 1 2 178.235 1.041 10 0 ADAELO CC(C)COCc1c[nH]c[nH+]1 238153225 573849905 /nfs/dbraw/zinc/84/99/05/573849905.db2.gz MNZIQBWBXAEEMT-UHFFFAOYSA-N 1 2 154.213 1.582 10 0 ADAELO CC(C)COCc1c[nH+]c[nH]1 238153225 573849907 /nfs/dbraw/zinc/84/99/07/573849907.db2.gz MNZIQBWBXAEEMT-UHFFFAOYSA-N 1 2 154.213 1.582 10 0 ADAELO [NH3+]c1ccc2c(c1)C[C@@H]1[C@@H]3C[C@@H]3CN21 257888226 573849927 /nfs/dbraw/zinc/84/99/27/573849927.db2.gz NALWTJXQPPJGAX-HLUHBDAQSA-N 1 2 186.258 1.650 10 0 ADAELO F[C@H]1COC[C@H]1Nc1cccc[nH+]1 585298461 573850202 /nfs/dbraw/zinc/85/02/02/573850202.db2.gz VTBUSQILXQLNFH-JGVFFNPUSA-N 1 2 182.198 1.230 10 0 ADAELO CC1(O)C[NH+](CCC(F)(F)F)C1 84357497 573850554 /nfs/dbraw/zinc/85/05/54/573850554.db2.gz AUQCJPKANXICQE-UHFFFAOYSA-N 1 2 183.173 1.005 10 0 ADAELO Cc1[nH+]cc(N)cc1OC(C)C 238151759 573850534 /nfs/dbraw/zinc/85/05/34/573850534.db2.gz NDHRPZSTVDXYAV-UHFFFAOYSA-N 1 2 166.224 1.759 10 0 ADAELO Cc1ccc(C[NH2+][C@H]2COC[C@@H]2F)o1 585297930 573852449 /nfs/dbraw/zinc/85/24/49/573852449.db2.gz MMVMWMILTNWDKB-UWVGGRQHSA-N 1 2 199.225 1.415 10 0 ADAELO Cc1ccc(C[NH2+][C@@H]2COC[C@@H]2F)o1 585297931 573853447 /nfs/dbraw/zinc/85/34/47/573853447.db2.gz MMVMWMILTNWDKB-VHSXEESVSA-N 1 2 199.225 1.415 10 0 ADAELO Oc1ccc(OCc2c[nH]c[nH+]2)cc1 258154181 573853837 /nfs/dbraw/zinc/85/38/37/573853837.db2.gz LLMQFPOOPZFGNF-UHFFFAOYSA-N 1 2 190.202 1.694 10 0 ADAELO Oc1ccc(OCc2c[nH+]c[nH]2)cc1 258154181 573853843 /nfs/dbraw/zinc/85/38/43/573853843.db2.gz LLMQFPOOPZFGNF-UHFFFAOYSA-N 1 2 190.202 1.694 10 0 ADAELO Cc1ccc(C[NH2+][C@H]2COC[C@H]2F)o1 585297932 573855305 /nfs/dbraw/zinc/85/53/05/573855305.db2.gz MMVMWMILTNWDKB-ZJUUUORDSA-N 1 2 199.225 1.415 10 0 ADAELO CC(=O)OC[C@H]1CCCc2[nH+]c[nH]c21 238166008 573855316 /nfs/dbraw/zinc/85/53/16/573855316.db2.gz YDZJRCNKXNYGDM-MRVPVSSYSA-N 1 2 194.234 1.393 10 0 ADAELO CCC1(O)C[NH+](Cc2ccco2)C1 84360742 573856202 /nfs/dbraw/zinc/85/62/02/573856202.db2.gz ZQYJPOASQRYCFA-UHFFFAOYSA-N 1 2 181.235 1.236 10 0 ADAELO CC(C)OC(=O)C[NH2+][C@@H]1C=CCCC1 308769500 573855541 /nfs/dbraw/zinc/85/55/41/573855541.db2.gz YEROAIGLIFGVPB-SNVBAGLBSA-N 1 2 197.278 1.636 10 0 ADAELO Cc1cc(F)c2c[nH+]cn2c1 238542310 573855961 /nfs/dbraw/zinc/85/59/61/573855961.db2.gz NXQTZMRQDLQIIM-UHFFFAOYSA-N 1 2 150.156 1.782 10 0 ADAELO Cc1c[nH+]cc(N)c1C(F)F 238542153 573856157 /nfs/dbraw/zinc/85/61/57/573856157.db2.gz RHOUSXDCFBBVKK-UHFFFAOYSA-N 1 2 158.151 1.910 10 0 ADAELO CC[C@@H]1CNc2ccc[nH+]c2N1C 87262279 573857830 /nfs/dbraw/zinc/85/78/30/573857830.db2.gz CPYXHXVJYIMWLL-MRVPVSSYSA-N 1 2 177.251 1.722 10 0 ADAELO Cc1[nH+]c(C2(CO)CC2)[nH]c1C(C)C 258517247 573859490 /nfs/dbraw/zinc/85/94/90/573859490.db2.gz GSAZAVLMXNYSOI-UHFFFAOYSA-N 1 2 194.278 1.865 10 0 ADAELO O[C@H]1CC[C@@H]1Nc1cccc[nH+]1 585298708 573859728 /nfs/dbraw/zinc/85/97/28/573859728.db2.gz ZNFXQTBYBQESCW-YUMQZZPRSA-N 1 2 164.208 1.017 10 0 ADAELO OC1(C2CC2)C[NH+](C/C=C/Cl)C1 84377274 573859967 /nfs/dbraw/zinc/85/99/67/573859967.db2.gz LUPDAIJWSADSRF-DAFODLJHSA-N 1 2 187.670 1.196 10 0 ADAELO O[C@H]1CC[C@H]1Nc1cccc[nH+]1 585298707 573860234 /nfs/dbraw/zinc/86/02/34/573860234.db2.gz ZNFXQTBYBQESCW-SFYZADRCSA-N 1 2 164.208 1.017 10 0 ADAELO CC(C)C1(O)CN(c2cccc[nH+]2)C1 84376504 573860744 /nfs/dbraw/zinc/86/07/44/573860744.db2.gz FXXLKRQMDSLAPP-UHFFFAOYSA-N 1 2 192.262 1.289 10 0 ADAELO Cc1[nH+]c(N)c(CO)cc1C(F)F 238547342 573863397 /nfs/dbraw/zinc/86/33/97/573863397.db2.gz SLFGCZUTCNLCRA-UHFFFAOYSA-N 1 2 188.177 1.402 10 0 ADAELO Cc1[nH+]c(N)c(C(F)F)cc1CO 238546671 573863410 /nfs/dbraw/zinc/86/34/10/573863410.db2.gz ICALTKGYOIWGKQ-UHFFFAOYSA-N 1 2 188.177 1.402 10 0 ADAELO CC[C@@H]([NH2+]Cc1cc[nH]c1)C(=O)OC 308457524 573862583 /nfs/dbraw/zinc/86/25/83/573862583.db2.gz FHIUGQNQDOYQPD-SECBINFHSA-N 1 2 196.250 1.056 10 0 ADAELO CN([NH3+])C1CCC(C)(C)CC1 87287685 573863262 /nfs/dbraw/zinc/86/32/62/573863262.db2.gz MZHSBNAXXAHKDT-UHFFFAOYSA-N 1 2 156.273 1.761 10 0 ADAELO CC1(C)[NH2+][C@@H](c2ccco2)NC1=S 238172862 573863783 /nfs/dbraw/zinc/86/37/83/573863783.db2.gz XTHOUVUJNWRFAA-ZETCQYMHSA-N 1 2 196.275 1.577 10 0 ADAELO CN1c2ccc([NH3+])cc2NCC1(C)C 259215547 573863974 /nfs/dbraw/zinc/86/39/74/573863974.db2.gz LLNIGPXCCCBYTI-UHFFFAOYSA-N 1 2 191.278 1.909 10 0 ADAELO Cc1ccn2c[nH+]cc2c1F 238540413 573868515 /nfs/dbraw/zinc/86/85/15/573868515.db2.gz YHFJLZGTMMTKBF-UHFFFAOYSA-N 1 2 150.156 1.782 10 0 ADAELO COc1cc[nH+]cc1[C@H](O)[C@@H](C)OC 308459300 573868525 /nfs/dbraw/zinc/86/85/25/573868525.db2.gz FDNZQUMXRYYLIM-GMSGAONNSA-N 1 2 197.234 1.159 10 0 ADAELO Cc1cn(C[C@@H]2CCCCC2=O)c[nH+]1 238548859 573867436 /nfs/dbraw/zinc/86/74/36/573867436.db2.gz IQUFLNJLVDHETI-JTQLQIEISA-N 1 2 192.262 1.951 10 0 ADAELO CC(C)CN([NH3+])C1CCCC1 87286937 573867659 /nfs/dbraw/zinc/86/76/59/573867659.db2.gz YSQSPULHCZLCSK-UHFFFAOYSA-N 1 2 156.273 1.761 10 0 ADAELO C[C@H]([NH3+])C(=O)c1ccc(Cl)c(O)c1 214997939 573867769 /nfs/dbraw/zinc/86/77/69/573867769.db2.gz OAZRQDPBMABAHK-YFKPBYRVSA-N 1 2 199.637 1.576 10 0 ADAELO CN1c2cc(O)ccc2[NH2+]CC12CC2 258439650 573868147 /nfs/dbraw/zinc/86/81/47/573868147.db2.gz GJLOYKVZJJZHRT-UHFFFAOYSA-N 1 2 190.246 1.787 10 0 ADAELO COc1ccc2c(c1)CC[N@@H+](C)[C@@H]2O 259624343 573868336 /nfs/dbraw/zinc/86/83/36/573868336.db2.gz WGTBYEPMEJYHJS-LLVKDONJSA-N 1 2 193.246 1.174 10 0 ADAELO COc1ccc2c(c1)CC[N@H+](C)[C@@H]2O 259624343 573868344 /nfs/dbraw/zinc/86/83/44/573868344.db2.gz WGTBYEPMEJYHJS-LLVKDONJSA-N 1 2 193.246 1.174 10 0 ADAELO Cc1ccc2c([nH+]1)Nc1ccnn1C2 238549083 573868378 /nfs/dbraw/zinc/86/83/78/573868378.db2.gz ONURYDGZFZXVTD-UHFFFAOYSA-N 1 2 186.218 1.692 10 0 ADAELO Oc1ccc2c(c1)OC1(CC1)C[NH2+]2 259217116 573868424 /nfs/dbraw/zinc/86/84/24/573868424.db2.gz LQBVBJHBLQIWTM-UHFFFAOYSA-N 1 2 177.203 1.729 10 0 ADAELO F[C@H]1CCn2c[nH+]cc21 238540239 573868680 /nfs/dbraw/zinc/86/86/80/573868680.db2.gz XWMUOAUYSQEBEQ-YFKPBYRVSA-N 1 2 126.134 1.297 10 0 ADAELO COc1cc[nH+]cc1[C@H](O)[C@H](C)OC 308459301 573868871 /nfs/dbraw/zinc/86/88/71/573868871.db2.gz FDNZQUMXRYYLIM-OIBJUYFYSA-N 1 2 197.234 1.159 10 0 ADAELO Cc1[nH+]cc(OC(C)C)n1C 238162536 573869478 /nfs/dbraw/zinc/86/94/78/573869478.db2.gz SVIJIZAHCITCOH-UHFFFAOYSA-N 1 2 154.213 1.516 10 0 ADAELO C[C@@H]([NH3+])C(=O)c1ccc(Cl)c(O)c1 214997986 573870856 /nfs/dbraw/zinc/87/08/56/573870856.db2.gz OAZRQDPBMABAHK-RXMQYKEDSA-N 1 2 199.637 1.576 10 0 ADAELO Cc1cc(C(=O)C[NH3+])cc(O)c1Cl 214998189 573870444 /nfs/dbraw/zinc/87/04/44/573870444.db2.gz XVPPSVVAYGRITF-UHFFFAOYSA-N 1 2 199.637 1.495 10 0 ADAELO CC(C)Oc1c[nH+]c(N)c(N)c1 238162935 573870682 /nfs/dbraw/zinc/87/06/82/573870682.db2.gz MNDCGUWPQIQDKB-UHFFFAOYSA-N 1 2 167.212 1.033 10 0 ADAELO CNC([NH2+]C)c1cccc(F)c1 259215060 573871988 /nfs/dbraw/zinc/87/19/88/573871988.db2.gz FXHDGMKNEGJPPE-UHFFFAOYSA-N 1 2 168.215 1.263 10 0 ADAELO Cc1[nH+]c(N)cc(CO)c1C(F)F 238549678 573873419 /nfs/dbraw/zinc/87/34/19/573873419.db2.gz UBHKPHCBLHYVGT-UHFFFAOYSA-N 1 2 188.177 1.402 10 0 ADAELO C/C=C\C(=O)Nc1ccc(N)[nH+]c1 212946849 573873459 /nfs/dbraw/zinc/87/34/59/573873459.db2.gz ZYICRXMIWYIWAJ-IHWYPQMZSA-N 1 2 177.207 1.178 10 0 ADAELO C[N@H+]1CCCC[C@H]1Cn1cc(O)cn1 257895551 573874726 /nfs/dbraw/zinc/87/47/26/573874726.db2.gz HCQUGJGVTKFWLX-VIFPVBQESA-N 1 2 195.266 1.073 10 0 ADAELO C[N@@H+]1CCCC[C@H]1Cn1cc(O)cn1 257895551 573874721 /nfs/dbraw/zinc/87/47/21/573874721.db2.gz HCQUGJGVTKFWLX-VIFPVBQESA-N 1 2 195.266 1.073 10 0 ADAELO C[C@H]1[NH2+]CN(CCCCC2CC2)C1=O 716327912 573877081 /nfs/dbraw/zinc/87/70/81/573877081.db2.gz MQBYXPXVFDPJCA-SECBINFHSA-N 1 2 196.294 1.345 10 0 ADAELO COCCc1cn2ccccc2[nH+]1 257895678 573877082 /nfs/dbraw/zinc/87/70/82/573877082.db2.gz HENXLQUIXIZKDZ-UHFFFAOYSA-N 1 2 176.219 1.523 10 0 ADAELO c1ncc(C[NH2+]Cc2cncs2)o1 131452699 573876866 /nfs/dbraw/zinc/87/68/66/573876866.db2.gz FIBSCMPINKLYLW-UHFFFAOYSA-N 1 2 195.247 1.421 10 0 ADAELO C[C@@H]1C[NH2+][C@@H](c2ccoc2)C[S@@]1=O 87307707 573879047 /nfs/dbraw/zinc/87/90/47/573879047.db2.gz IAQXWPPPJGBHEA-HUQFOHBGSA-N 1 2 199.275 1.061 10 0 ADAELO COC(=O)[C@@]([NH3+])(CC(C)C)[C@H](C)F 257891806 573879070 /nfs/dbraw/zinc/87/90/70/573879070.db2.gz XFWFFZHZBYDWHY-IONNQARKSA-N 1 2 191.246 1.261 10 0 ADAELO CCCc1cn2c([nH+]1)C[C@H](O)CC2 258518571 573878779 /nfs/dbraw/zinc/87/87/79/573878779.db2.gz RUEFHHWHFSUHOQ-SECBINFHSA-N 1 2 180.251 1.143 10 0 ADAELO Nc1cn[nH+]cc1-c1cccc(F)c1 257892587 573881530 /nfs/dbraw/zinc/88/15/30/573881530.db2.gz GVLIGLLJVIYKFG-UHFFFAOYSA-N 1 2 189.193 1.865 10 0 ADAELO COC(=O)[C@]([NH3+])(CC(C)C)[C@@H](C)F 257891798 573881873 /nfs/dbraw/zinc/88/18/73/573881873.db2.gz XFWFFZHZBYDWHY-APPZFPTMSA-N 1 2 191.246 1.261 10 0 ADAELO 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NCABIYGJCBTYQE-QMMMGPOBSA-N 1 2 191.278 1.767 10 0 ADAELO CCC[NH2+]CC(=O)OCC(C)C 44626896 573924778 /nfs/dbraw/zinc/92/47/78/573924778.db2.gz KOQCYQKNBKRJDE-UHFFFAOYSA-N 1 2 173.256 1.185 10 0 ADAELO COc1ccn2c([C@@H](C)O)[nH+]cc2c1 257900592 573924877 /nfs/dbraw/zinc/92/48/77/573924877.db2.gz YSWQKPXLWMUDRE-SSDOTTSWSA-N 1 2 192.218 1.396 10 0 ADAELO CCC(CC)[C@H]([NH2+]N)[C@H]1C[C@H]1C 253007821 573924914 /nfs/dbraw/zinc/92/49/14/573924914.db2.gz OZQKFHINIBRQMI-JEZHCXPESA-N 1 2 170.300 1.911 10 0 ADAELO COc1ccn2c([C@H](C)O)[nH+]cc2c1 257900593 573924973 /nfs/dbraw/zinc/92/49/73/573924973.db2.gz YSWQKPXLWMUDRE-ZETCQYMHSA-N 1 2 192.218 1.396 10 0 ADAELO CCCCOC(=O)[C@]1(C)CCCC[NH2+]1 127585624 573926328 /nfs/dbraw/zinc/92/63/28/573926328.db2.gz SFQZXJQVXSDPKQ-NSHDSACASA-N 1 2 199.294 1.862 10 0 ADAELO COC[C@H]1C[NH2+]c2ccc(O)cc2C1 257901383 573925326 /nfs/dbraw/zinc/92/53/26/573925326.db2.gz YTIDBYLCUMMZBS-MRVPVSSYSA-N 1 2 193.246 1.623 10 0 ADAELO CCSCc1c[nH+]cn1C 258182185 573925363 /nfs/dbraw/zinc/92/53/63/573925363.db2.gz MXWWHEBYFPAQIB-UHFFFAOYSA-N 1 2 156.254 1.673 10 0 ADAELO CCCCCCN1C(=O)[C@@H](C)[NH2+][C@@H]1C 127605294 573925624 /nfs/dbraw/zinc/92/56/24/573925624.db2.gz MLJAOUGGIHTMLE-ZJUUUORDSA-N 1 2 198.310 1.733 10 0 ADAELO C[NH2+][C@H](C)C(=O)O[C@H](C)C(C)C 87468111 573925837 /nfs/dbraw/zinc/92/58/37/573925837.db2.gz NAFGUMDVYVQBCF-HTQZYQBOSA-N 1 2 173.256 1.182 10 0 ADAELO C[C@H](O)C(F)(F)[C@H]1CCC[N@@H+]1C 257901418 573925905 /nfs/dbraw/zinc/92/59/05/573925905.db2.gz OXWCPVDIRBNOCS-NKWVEPMBSA-N 1 2 179.210 1.097 10 0 ADAELO C[C@H](O)C(F)(F)[C@H]1CCC[N@H+]1C 257901418 573925909 /nfs/dbraw/zinc/92/59/09/573925909.db2.gz OXWCPVDIRBNOCS-NKWVEPMBSA-N 1 2 179.210 1.097 10 0 ADAELO CCCCCCN1C(=O)[C@H](C)[NH2+][C@H]1C 127605527 573925966 /nfs/dbraw/zinc/92/59/66/573925966.db2.gz MLJAOUGGIHTMLE-VHSXEESVSA-N 1 2 198.310 1.733 10 0 ADAELO C[C@H]1CNc2cc(N)ccc2[N@@H+](C)C1 259241221 573926245 /nfs/dbraw/zinc/92/62/45/573926245.db2.gz NCABIYGJCBTYQE-QMMMGPOBSA-N 1 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CNC([NH2+]C)c1cc(C)ccc1OC 259585881 573935103 /nfs/dbraw/zinc/93/51/03/573935103.db2.gz XLHWSYRVIAEZMB-UHFFFAOYSA-N 1 2 194.278 1.441 10 0 ADAELO COC(=O)[C@H](C)[C@@H](C)[NH2+]CC(F)F 147579419 573935255 /nfs/dbraw/zinc/93/52/55/573935255.db2.gz QEIQHBQSOJNDAC-PHDIDXHHSA-N 1 2 195.209 1.039 10 0 ADAELO COC[N@H+](C)Cc1ccccc1OC 259017498 573935435 /nfs/dbraw/zinc/93/54/35/573935435.db2.gz GUMVGKQKRDJNSF-UHFFFAOYSA-N 1 2 195.262 1.731 10 0 ADAELO COC[N@@H+](C)Cc1ccccc1OC 259017498 573935440 /nfs/dbraw/zinc/93/54/40/573935440.db2.gz GUMVGKQKRDJNSF-UHFFFAOYSA-N 1 2 195.262 1.731 10 0 ADAELO CCOc1cc[nH+]cc1[C@@H](C)[C@H](C)O 308465293 573935684 /nfs/dbraw/zinc/93/56/84/573935684.db2.gz GXBLOHKTARUPHA-IUCAKERBSA-N 1 2 195.262 1.965 10 0 ADAELO CCOc1cc[nH+]cc1[C@@H](C)[C@@H](C)O 308465290 573935704 /nfs/dbraw/zinc/93/57/04/573935704.db2.gz GXBLOHKTARUPHA-DTWKUNHWSA-N 1 2 195.262 1.965 10 0 ADAELO CC1=[NH+]CCc2ccsc2N1 238196032 573936233 /nfs/dbraw/zinc/93/62/33/573936233.db2.gz 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C[NH+](C)[C@@H](O)c1ccccc1F 259245995 573944111 /nfs/dbraw/zinc/94/41/11/573944111.db2.gz BGRMMIDILOYGTJ-VIFPVBQESA-N 1 2 169.199 1.378 10 0 ADAELO CC(C)C[C@H](C)C(=O)[C@H]1COCC[NH2+]1 308469670 573944377 /nfs/dbraw/zinc/94/43/77/573944377.db2.gz ITUOLUHLFZQWLN-VHSXEESVSA-N 1 2 199.294 1.226 10 0 ADAELO CC1(C(=O)Cc2ccc[nH+]c2N)CC1 87549065 573944168 /nfs/dbraw/zinc/94/41/68/573944168.db2.gz PNUCPXKRVSMDHJ-UHFFFAOYSA-N 1 2 190.246 1.576 10 0 ADAELO Cc1[nH+]c(C2(C)CC2)nc(N)c1C 87553684 573948587 /nfs/dbraw/zinc/94/85/87/573948587.db2.gz NIERAQMTYWOYIX-UHFFFAOYSA-N 1 2 177.251 1.727 10 0 ADAELO Cc1cc(N)nc(C2(C)CC2)[nH+]1 87553667 573948486 /nfs/dbraw/zinc/94/84/86/573948486.db2.gz UMXBUCADDMBANS-UHFFFAOYSA-N 1 2 163.224 1.419 10 0 ADAELO CCc1c(N)nc(C2(C)CC2)[nH+]c1C 87553669 573948945 /nfs/dbraw/zinc/94/89/45/573948945.db2.gz AXIVCOACPCWOLP-UHFFFAOYSA-N 1 2 191.278 1.981 10 0 ADAELO CCNc1nc(N(C)C)[nH+]c(C)c1F 85005655 573949068 /nfs/dbraw/zinc/94/90/68/573949068.db2.gz AENLBOQOADNWNE-UHFFFAOYSA-N 1 2 198.245 1.422 10 0 ADAELO CCc1cc(N)nc(C2(C)CC2)[nH+]1 87553675 573950446 /nfs/dbraw/zinc/95/04/46/573950446.db2.gz CJELXWORZQHCPP-UHFFFAOYSA-N 1 2 177.251 1.673 10 0 ADAELO CC(C)c1[nH]n(C(C)C)c(=O)c1C[NH3+] 257915373 573949754 /nfs/dbraw/zinc/94/97/54/573949754.db2.gz JIMLXYRFFPFWCI-UHFFFAOYSA-N 1 2 197.282 1.752 10 0 ADAELO CC1(c2nc(N)c3c([nH+]2)CCC3)CC1 87553665 573950126 /nfs/dbraw/zinc/95/01/26/573950126.db2.gz VFFYOZVGLMCWGB-UHFFFAOYSA-N 1 2 189.262 1.599 10 0 ADAELO CCc1[nH+]c(C2(C)CC2)nc(N)c1C 87553747 573950596 /nfs/dbraw/zinc/95/05/96/573950596.db2.gz XQRRHRBGHIPJRR-UHFFFAOYSA-N 1 2 191.278 1.981 10 0 ADAELO CC(C)c1nn(C)c([NH+](C)C)c1N 85021841 573952646 /nfs/dbraw/zinc/95/26/46/573952646.db2.gz RJQBLSSJJRQJRV-UHFFFAOYSA-N 1 2 182.271 1.192 10 0 ADAELO CCc1[nH+]c(CC2CC2)nc(N)c1C 87583505 573952707 /nfs/dbraw/zinc/95/27/07/573952707.db2.gz WTZXLZURSCDDQH-UHFFFAOYSA-N 1 2 191.278 1.882 10 0 ADAELO CC(C)(C)NC(=[NH2+])c1cncs1 87575323 573952720 /nfs/dbraw/zinc/95/27/20/573952720.db2.gz PZXYPQBURKKBIO-UHFFFAOYSA-N 1 2 183.280 1.857 10 0 ADAELO Cc1cc(O)ccc1C(=O)C[NH+](C)C 104100971 573954174 /nfs/dbraw/zinc/95/41/74/573954174.db2.gz WAAKADQRRXMAPZ-UHFFFAOYSA-N 1 2 193.246 1.445 10 0 ADAELO [NH3+][C@H](c1ccco1)c1cncs1 87574125 573954263 /nfs/dbraw/zinc/95/42/63/573954263.db2.gz KNZNYNCAMIZAOL-MRVPVSSYSA-N 1 2 180.232 1.784 10 0 ADAELO CCCn1nc(C)c(N)c1[NH+](C)C 85023099 573954274 /nfs/dbraw/zinc/95/42/74/573954274.db2.gz IKCBUCLKWJTGGH-UHFFFAOYSA-N 1 2 182.271 1.250 10 0 ADAELO CCC(=O)NC1=[NH+]CCCS1 238209026 573957087 /nfs/dbraw/zinc/95/70/87/573957087.db2.gz FAQGCIGDFHEHNV-UHFFFAOYSA-N 1 2 172.253 1.006 10 0 ADAELO CCCCNc1nc(NC)cn[nH+]1 238210761 573957118 /nfs/dbraw/zinc/95/71/18/573957118.db2.gz AXCLNJFQXAMDKW-UHFFFAOYSA-N 1 2 181.243 1.125 10 0 ADAELO Nc1cn[nH+]cc1Cc1cccs1 257911343 573956904 /nfs/dbraw/zinc/95/69/04/573956904.db2.gz IZNYYVKTPMUVRK-UHFFFAOYSA-N 1 2 191.259 1.711 10 0 ADAELO Nc1c[nH+]c(C2CC2)c(N)c1 257911479 573958373 /nfs/dbraw/zinc/95/83/73/573958373.db2.gz AKIXWQVUOYLSBA-UHFFFAOYSA-N 1 2 149.197 1.123 10 0 ADAELO COCCc1cn2cc(C)ccc2[nH+]1 257913083 573959650 /nfs/dbraw/zinc/95/96/50/573959650.db2.gz JCZJLIGBIZDQDZ-UHFFFAOYSA-N 1 2 190.246 1.832 10 0 ADAELO Cc1ccc([C@H]2CC(N)=[NH+]O2)cc1 257920238 573960022 /nfs/dbraw/zinc/96/00/22/573960022.db2.gz RIVNVMWGMXOJEE-SECBINFHSA-N 1 2 176.219 1.729 10 0 ADAELO CS[C@@H](C)CNc1c[nH+]cc(N)c1 123192518 573960093 /nfs/dbraw/zinc/96/00/93/573960093.db2.gz OQCXYEOSSZBZMB-ZETCQYMHSA-N 1 2 197.307 1.827 10 0 ADAELO Cc1ccc([C@@H]2CC(N)=[NH+]O2)cc1 257920240 573960291 /nfs/dbraw/zinc/96/02/91/573960291.db2.gz RIVNVMWGMXOJEE-VIFPVBQESA-N 1 2 176.219 1.729 10 0 ADAELO CC(C)n1cc(N)nc1C[NH+](C)C 257913373 573960322 /nfs/dbraw/zinc/96/03/22/573960322.db2.gz QBTKKQBTXTUEKP-UHFFFAOYSA-N 1 2 182.271 1.108 10 0 ADAELO C[C@H](O)c1ccc2[nH+]ccn2c1 150322736 573960726 /nfs/dbraw/zinc/96/07/26/573960726.db2.gz ASBKDANIZBEHHJ-ZETCQYMHSA-N 1 2 162.192 1.388 10 0 ADAELO COCCc1cn2cccc(C)c2[nH+]1 257921178 573961560 /nfs/dbraw/zinc/96/15/60/573961560.db2.gz HZCDJNPGWVZABZ-UHFFFAOYSA-N 1 2 190.246 1.832 10 0 ADAELO CC[C@@]([NH3+])(C(=O)OC)C(C)(C)F 257920999 573961751 /nfs/dbraw/zinc/96/17/51/573961751.db2.gz ROEQJHISOZTZGP-MRVPVSSYSA-N 1 2 177.219 1.015 10 0 ADAELO Cc1cc(O)c(Cl)c(C(=O)C[NH3+])c1 258190917 573961855 /nfs/dbraw/zinc/96/18/55/573961855.db2.gz RRJNZTCUBRNEKX-UHFFFAOYSA-N 1 2 199.637 1.495 10 0 ADAELO Cc1cn(C(F)F)c(C)[nH+]1 715093134 573965182 /nfs/dbraw/zinc/96/51/82/573965182.db2.gz YEJVJSDUKQIPOK-UHFFFAOYSA-N 1 2 146.140 1.895 10 0 ADAELO Cc1cc[nH+]cc1NC1COC1 87597400 573965071 /nfs/dbraw/zinc/96/50/71/573965071.db2.gz GJAGTIMXQSKWIA-UHFFFAOYSA-N 1 2 164.208 1.201 10 0 ADAELO Cc1ccc(NC2COC2)c(C)[nH+]1 87597425 573967265 /nfs/dbraw/zinc/96/72/65/573967265.db2.gz KYUFNWMSOLOFGA-UHFFFAOYSA-N 1 2 178.235 1.509 10 0 ADAELO Cc1[nH+]cccc1NC1COC1 87597418 573968562 /nfs/dbraw/zinc/96/85/62/573968562.db2.gz ODACYHKMBIHXMG-UHFFFAOYSA-N 1 2 164.208 1.201 10 0 ADAELO CCC1(CC)N=C(C)[C@H](C)[NH2+]1 238228349 573970193 /nfs/dbraw/zinc/97/01/93/573970193.db2.gz ANRQHGFLFUQELG-ZETCQYMHSA-N 1 2 154.257 1.955 10 0 ADAELO OCC[C@@H]1C[NH2+]c2ccc(O)cc21 258191732 573970282 /nfs/dbraw/zinc/97/02/82/573970282.db2.gz TZVQBDSPUXNBSV-SSDOTTSWSA-N 1 2 179.219 1.284 10 0 ADAELO Cc1cccc([C@H]([NH3+])c2cnn[nH]2)c1 87599835 573970430 /nfs/dbraw/zinc/97/04/30/573970430.db2.gz DMTOQXMNOIGNTC-JTQLQIEISA-N 1 2 188.234 1.161 10 0 ADAELO CCC1(CC)N=C(C)[C@@H](C)[NH2+]1 238228483 573970443 /nfs/dbraw/zinc/97/04/43/573970443.db2.gz ANRQHGFLFUQELG-SSDOTTSWSA-N 1 2 154.257 1.955 10 0 ADAELO CC1CCC([C@H]([NH3+])c2cnn[nH]2)CC1 87600498 573971043 /nfs/dbraw/zinc/97/10/43/573971043.db2.gz NXIWEXUQKLJQEB-KTOWXAHTSA-N 1 2 194.282 1.631 10 0 ADAELO [NH3+][C@@H](CC1CCCCC1)c1cnn[nH]1 87600314 573971070 /nfs/dbraw/zinc/97/10/70/573971070.db2.gz ZBEOIUQLJFEFQW-VIFPVBQESA-N 1 2 194.282 1.775 10 0 ADAELO Cc1ccc([C@H]([NH3+])c2c[nH]nn2)s1 87600399 573971175 /nfs/dbraw/zinc/97/11/75/573971175.db2.gz VDQIAEOQWUGHBK-MRVPVSSYSA-N 1 2 194.263 1.223 10 0 ADAELO O=Cc1sccc1-n1cc[nH+]c1 104399205 573971514 /nfs/dbraw/zinc/97/15/14/573971514.db2.gz MYMCCORSSPUXAV-UHFFFAOYSA-N 1 2 178.216 1.746 10 0 ADAELO OCc1ccccc1-c1c[nH]c[nH+]1 104397665 573971580 /nfs/dbraw/zinc/97/15/80/573971580.db2.gz BVCFRVDFFIMBRM-UHFFFAOYSA-N 1 2 174.203 1.569 10 0 ADAELO Nc1ccccc1Cc1c[nH]c[nH+]1 104397968 573971658 /nfs/dbraw/zinc/97/16/58/573971658.db2.gz FLGJJBSFNADNPP-UHFFFAOYSA-N 1 2 173.219 1.583 10 0 ADAELO Oc1cccnc1Cn1cc[nH+]c1 104398350 573971706 /nfs/dbraw/zinc/97/17/06/573971706.db2.gz OLVXNUWIZMHSKC-UHFFFAOYSA-N 1 2 175.191 1.032 10 0 ADAELO C[NH2+][C@@H](c1c[nH]nn1)C(C)(C)C 87600653 573971808 /nfs/dbraw/zinc/97/18/08/573971808.db2.gz XVGUMIXCIHQNRS-ZETCQYMHSA-N 1 2 168.244 1.111 10 0 ADAELO C[NH2+][C@@H](c1cn[nH]n1)C(C)(C)C 87600653 573971810 /nfs/dbraw/zinc/97/18/10/573971810.db2.gz XVGUMIXCIHQNRS-ZETCQYMHSA-N 1 2 168.244 1.111 10 0 ADAELO COc1cc(O)ccc1-c1[nH]cc[nH+]1 104397027 573971814 /nfs/dbraw/zinc/97/18/14/573971814.db2.gz GDMHHOCCPRLBHA-UHFFFAOYSA-N 1 2 190.202 1.791 10 0 ADAELO Cc1c[nH]c(-c2ccc[nH]2)[nH+]1 104398013 573971837 /nfs/dbraw/zinc/97/18/37/573971837.db2.gz HKRSKMIAMGPCEM-UHFFFAOYSA-N 1 2 147.181 1.713 10 0 ADAELO Cc1ccc([C@H]([NH3+])c2cnn[nH]2)cc1 87600200 573971915 /nfs/dbraw/zinc/97/19/15/573971915.db2.gz HJWKUJWLCXATHR-JTQLQIEISA-N 1 2 188.234 1.161 10 0 ADAELO CCCc1[nH+]c(N)c(N)cc1Cl 238228196 573971916 /nfs/dbraw/zinc/97/19/16/573971916.db2.gz AALMJKGZICZBAZ-UHFFFAOYSA-N 1 2 185.658 1.852 10 0 ADAELO [NH3+][C@H](CC1CCCC1)c1cnn[nH]1 87599880 573972004 /nfs/dbraw/zinc/97/20/04/573972004.db2.gz ADWFFPRTCVHHSM-MRVPVSSYSA-N 1 2 180.255 1.385 10 0 ADAELO Nc1ccc(F)c(-c2[nH]cc[nH+]2)c1 104397657 573972081 /nfs/dbraw/zinc/97/20/81/573972081.db2.gz GXRQVOIGZOSQRL-UHFFFAOYSA-N 1 2 177.182 1.798 10 0 ADAELO C[NH2+][C@@H](c1ccccc1)c1cn[nH]n1 87600576 573972023 /nfs/dbraw/zinc/97/20/23/573972023.db2.gz PPQKFJGTTVFPAI-JTQLQIEISA-N 1 2 188.234 1.114 10 0 ADAELO C[NH2+][C@@H](c1ccccc1)c1c[nH]nn1 87600576 573972024 /nfs/dbraw/zinc/97/20/24/573972024.db2.gz PPQKFJGTTVFPAI-JTQLQIEISA-N 1 2 188.234 1.114 10 0 ADAELO Cc1ccc(Cc2c[nH]c[nH+]2)c(N)c1 104399202 573973602 /nfs/dbraw/zinc/97/36/02/573973602.db2.gz CLLAMGWEWCJZPW-UHFFFAOYSA-N 1 2 187.246 1.891 10 0 ADAELO C[NH2+][C@H](c1ccccc1)c1cn[nH]n1 87600577 573974045 /nfs/dbraw/zinc/97/40/45/573974045.db2.gz PPQKFJGTTVFPAI-SNVBAGLBSA-N 1 2 188.234 1.114 10 0 ADAELO C[NH2+][C@H](c1ccccc1)c1c[nH]nn1 87600577 573974050 /nfs/dbraw/zinc/97/40/50/573974050.db2.gz PPQKFJGTTVFPAI-SNVBAGLBSA-N 1 2 188.234 1.114 10 0 ADAELO Nc1ccc(O)c(-c2c[nH]c[nH+]2)c1 104398685 573972919 /nfs/dbraw/zinc/97/29/19/573972919.db2.gz YIMUOBPINQBALQ-UHFFFAOYSA-N 1 2 175.191 1.365 10 0 ADAELO Cc1cc([C@H]([NH3+])c2c[nH]nn2)cs1 87599979 573972974 /nfs/dbraw/zinc/97/29/74/573972974.db2.gz CYZRMESFEWXNNX-QMMMGPOBSA-N 1 2 194.263 1.223 10 0 ADAELO Cc1cc([C@H]([NH3+])c2cnn[nH]2)cs1 87599979 573972978 /nfs/dbraw/zinc/97/29/78/573972978.db2.gz CYZRMESFEWXNNX-QMMMGPOBSA-N 1 2 194.263 1.223 10 0 ADAELO C[NH2+][C@@H](c1cn[nH]n1)C1CCCC1 87600812 573973018 /nfs/dbraw/zinc/97/30/18/573973018.db2.gz ABVOEKQGWMIREH-SECBINFHSA-N 1 2 180.255 1.255 10 0 ADAELO C[NH2+][C@@H](c1c[nH]nn1)C1CCCC1 87600812 573973022 /nfs/dbraw/zinc/97/30/22/573973022.db2.gz ABVOEKQGWMIREH-SECBINFHSA-N 1 2 180.255 1.255 10 0 ADAELO Cn1cccc1-c1[nH]cc[nH+]1 104398005 573973032 /nfs/dbraw/zinc/97/30/32/573973032.db2.gz FOBOCFMLNODUHK-UHFFFAOYSA-N 1 2 147.181 1.415 10 0 ADAELO C[NH2+][C@H](c1ccsc1)c1cnn[nH]1 87600791 573973128 /nfs/dbraw/zinc/97/31/28/573973128.db2.gz NNUPKLXEDNZWBQ-MRVPVSSYSA-N 1 2 194.263 1.175 10 0 ADAELO C[NH2+][C@H](c1ccsc1)c1cn[nH]n1 87600791 573973133 /nfs/dbraw/zinc/97/31/33/573973133.db2.gz NNUPKLXEDNZWBQ-MRVPVSSYSA-N 1 2 194.263 1.175 10 0 ADAELO C[NH2+][C@H](c1ccsc1)c1c[nH]nn1 87600791 573973137 /nfs/dbraw/zinc/97/31/37/573973137.db2.gz NNUPKLXEDNZWBQ-MRVPVSSYSA-N 1 2 194.263 1.175 10 0 ADAELO O=Cc1cccn1CCn1cc[nH+]c1 42542551 573973271 /nfs/dbraw/zinc/97/32/71/573973271.db2.gz CMVPTPQXVMBCMV-UHFFFAOYSA-N 1 2 189.218 1.197 10 0 ADAELO Oc1cc(O)cc(-c2c[nH]c[nH+]2)c1 104398390 573973315 /nfs/dbraw/zinc/97/33/15/573973315.db2.gz ILUYRSWQKVYNTJ-UHFFFAOYSA-N 1 2 176.175 1.488 10 0 ADAELO Oc1cccc(Cc2c[nH]c[nH+]2)c1 104397615 573973394 /nfs/dbraw/zinc/97/33/94/573973394.db2.gz PSICOORFSNFDDW-UHFFFAOYSA-N 1 2 174.203 1.706 10 0 ADAELO [NH3+][C@@H](CC1CCCC1)c1cnn[nH]1 87599881 573973411 /nfs/dbraw/zinc/97/34/11/573973411.db2.gz ADWFFPRTCVHHSM-QMMMGPOBSA-N 1 2 180.255 1.385 10 0 ADAELO COc1cc(-c2c[nH]c[nH+]2)ccc1O 104398680 573973563 /nfs/dbraw/zinc/97/35/63/573973563.db2.gz AUTJVGWZHAFGII-UHFFFAOYSA-N 1 2 190.202 1.791 10 0 ADAELO CCc1[nH]c(C)[nH+]c1C=O 81915330 573973687 /nfs/dbraw/zinc/97/36/87/573973687.db2.gz WUUKYHYZFBHQCD-UHFFFAOYSA-N 1 2 138.170 1.093 10 0 ADAELO Cc1ccccc1[C@@H]([NH3+])c1cnn[nH]1 87599834 573973713 /nfs/dbraw/zinc/97/37/13/573973713.db2.gz WLHPVRUQVNRSMZ-SNVBAGLBSA-N 1 2 188.234 1.161 10 0 ADAELO Cc1c[nH]c(-c2cccn2C)[nH+]1 104398008 573973851 /nfs/dbraw/zinc/97/38/51/573973851.db2.gz XENUFPCRGHEMEQ-UHFFFAOYSA-N 1 2 161.208 1.724 10 0 ADAELO Cc1ccc(Cc2c[nH]c[nH+]2)cc1N 104399199 573974031 /nfs/dbraw/zinc/97/40/31/573974031.db2.gz FOESQCYRZALLNG-UHFFFAOYSA-N 1 2 187.246 1.891 10 0 ADAELO Cc1cccc([C@@H]([NH3+])c2cnn[nH]2)c1 87599837 573974271 /nfs/dbraw/zinc/97/42/71/573974271.db2.gz DMTOQXMNOIGNTC-SNVBAGLBSA-N 1 2 188.234 1.161 10 0 ADAELO Cc1cc([C@@H]([NH3+])c2c[nH]nn2)cs1 87599980 573974300 /nfs/dbraw/zinc/97/43/00/573974300.db2.gz CYZRMESFEWXNNX-MRVPVSSYSA-N 1 2 194.263 1.223 10 0 ADAELO Cc1cc([C@@H]([NH3+])c2cnn[nH]2)cs1 87599980 573974307 /nfs/dbraw/zinc/97/43/07/573974307.db2.gz CYZRMESFEWXNNX-MRVPVSSYSA-N 1 2 194.263 1.223 10 0 ADAELO C[NH2+][C@@H](c1ccsc1)c1cnn[nH]1 87600790 573974324 /nfs/dbraw/zinc/97/43/24/573974324.db2.gz NNUPKLXEDNZWBQ-QMMMGPOBSA-N 1 2 194.263 1.175 10 0 ADAELO C[NH2+][C@@H](c1ccsc1)c1cn[nH]n1 87600790 573974327 /nfs/dbraw/zinc/97/43/27/573974327.db2.gz NNUPKLXEDNZWBQ-QMMMGPOBSA-N 1 2 194.263 1.175 10 0 ADAELO C[NH2+][C@@H](c1ccsc1)c1c[nH]nn1 87600790 573974333 /nfs/dbraw/zinc/97/43/33/573974333.db2.gz NNUPKLXEDNZWBQ-QMMMGPOBSA-N 1 2 194.263 1.175 10 0 ADAELO CCC(CC)[C@H]([NH3+])c1cnn[nH]1 87600386 573974353 /nfs/dbraw/zinc/97/43/53/573974353.db2.gz WMPNBIHJBRJVRR-QMMMGPOBSA-N 1 2 168.244 1.241 10 0 ADAELO [NH3+][C@@H](c1cnn[nH]1)C1CCCCC1 87600466 573974512 /nfs/dbraw/zinc/97/45/12/573974512.db2.gz PPNKEUVHZJZTAI-SECBINFHSA-N 1 2 180.255 1.385 10 0 ADAELO C[NH2+][C@@H](c1cn[nH]n1)C1CCCCC1 87600827 573974547 /nfs/dbraw/zinc/97/45/47/573974547.db2.gz KWWPUNTVXHNIFO-SNVBAGLBSA-N 1 2 194.282 1.646 10 0 ADAELO C[NH2+][C@@H](c1c[nH]nn1)C1CCCCC1 87600827 573974552 /nfs/dbraw/zinc/97/45/52/573974552.db2.gz KWWPUNTVXHNIFO-SNVBAGLBSA-N 1 2 194.282 1.646 10 0 ADAELO CC1CCC([C@@H]([NH3+])c2cnn[nH]2)CC1 87600499 573975535 /nfs/dbraw/zinc/97/55/35/573975535.db2.gz NXIWEXUQKLJQEB-SFVIPPHHSA-N 1 2 194.282 1.631 10 0 ADAELO Cc1ccc([C@@H]([NH3+])c2c[nH]nn2)s1 87600401 573975506 /nfs/dbraw/zinc/97/55/06/573975506.db2.gz VDQIAEOQWUGHBK-QMMMGPOBSA-N 1 2 194.263 1.223 10 0 ADAELO Cc1ccsc1[C@H]([NH3+])c1c[nH]nn1 87600327 573975582 /nfs/dbraw/zinc/97/55/82/573975582.db2.gz MGUHUMNPSBOHBV-SSDOTTSWSA-N 1 2 194.263 1.223 10 0 ADAELO OCc1cccc(-c2[nH]cc[nH+]2)c1 104400982 573977782 /nfs/dbraw/zinc/97/77/82/573977782.db2.gz BCQLHFRVOZIASG-UHFFFAOYSA-N 1 2 174.203 1.569 10 0 ADAELO Nc1cccc(N)c1-c1[nH]cc[nH+]1 104401668 573979360 /nfs/dbraw/zinc/97/93/60/573979360.db2.gz UYNHLDWYZQOXHG-UHFFFAOYSA-N 1 2 174.207 1.241 10 0 ADAELO N[C@H]1[NH2+]CCc2c1[nH]c1ccccc21 259257023 573978993 /nfs/dbraw/zinc/97/89/93/573978993.db2.gz ATFASSSYZLYHQL-NSHDSACASA-N 1 2 187.246 1.271 10 0 ADAELO C[C@@H](CO)c1ccc2c(c1)[nH+]cn2C 258194255 573979031 /nfs/dbraw/zinc/97/90/31/573979031.db2.gz XQRAJRHMRLHCRF-QMMMGPOBSA-N 1 2 190.246 1.669 10 0 ADAELO Oc1ccc(-c2[nH]cc[nH+]2)cc1F 104400335 573979087 /nfs/dbraw/zinc/97/90/87/573979087.db2.gz WEKOWEJAFWNWBF-UHFFFAOYSA-N 1 2 178.166 1.921 10 0 ADAELO CC[C@H](C)[C@H](O)c1c[nH+]c[nH]1 104401401 573979457 /nfs/dbraw/zinc/97/94/57/573979457.db2.gz POTZHSFOYCZEMF-XPUUQOCRSA-N 1 2 154.213 1.489 10 0 ADAELO Cc1cc(-c2cccc(=O)[nH]2)cc[nH+]1 235864594 573979219 /nfs/dbraw/zinc/97/92/19/573979219.db2.gz RZHYZUNBIVSIJO-UHFFFAOYSA-N 1 2 186.214 1.745 10 0 ADAELO Nc1cc(N)cc(-c2[nH]cc[nH+]2)c1 104401670 573979223 /nfs/dbraw/zinc/97/92/23/573979223.db2.gz WPMRDBIPTXCWBQ-UHFFFAOYSA-N 1 2 174.207 1.241 10 0 ADAELO Oc1cc(O)cc(-c2[nH]cc[nH+]2)c1 104401665 573979239 /nfs/dbraw/zinc/97/92/39/573979239.db2.gz VPCVUFVMBJQACT-UHFFFAOYSA-N 1 2 176.175 1.488 10 0 ADAELO CC(C)[C@H](O)c1c[nH+]c[nH]1 104401648 573979342 /nfs/dbraw/zinc/97/93/42/573979342.db2.gz ITXSXCIPTKRWSO-ZETCQYMHSA-N 1 2 140.186 1.099 10 0 ADAELO CC(C)[C@H](O)c1c[nH]c[nH+]1 104401648 573979339 /nfs/dbraw/zinc/97/93/39/573979339.db2.gz ITXSXCIPTKRWSO-ZETCQYMHSA-N 1 2 140.186 1.099 10 0 ADAELO CC[C@H](C)[C@H](O)c1c[nH]c[nH+]1 104401401 573979452 /nfs/dbraw/zinc/97/94/52/573979452.db2.gz POTZHSFOYCZEMF-XPUUQOCRSA-N 1 2 154.213 1.489 10 0 ADAELO Oc1ccc(O)c(-c2[nH]cc[nH+]2)c1 104401415 573980855 /nfs/dbraw/zinc/98/08/55/573980855.db2.gz JFZFJCIDIHUZFZ-UHFFFAOYSA-N 1 2 176.175 1.488 10 0 ADAELO CC1=CC(C)(C)C(=[NH2+])O1 238223326 573981250 /nfs/dbraw/zinc/98/12/50/573981250.db2.gz KZFVWVYPLDDXSF-UHFFFAOYSA-N 1 2 125.171 1.924 10 0 ADAELO Cc1n[nH]c(C)c1[C@@H]1[NH2+]CCCS1 87603855 573981380 /nfs/dbraw/zinc/98/13/80/573981380.db2.gz RHVQCHINJYUOBG-SECBINFHSA-N 1 2 197.307 1.752 10 0 ADAELO CCCC(=[NH2+])Nc1cnccn1 238223958 573981603 /nfs/dbraw/zinc/98/16/03/573981603.db2.gz DZMMDKOOIARVET-UHFFFAOYSA-N 1 2 164.212 1.666 10 0 ADAELO NOCc1ccc(-c2[nH]cc[nH+]2)cc1 258194432 573981673 /nfs/dbraw/zinc/98/16/73/573981673.db2.gz XTODNVCJJVEWFK-UHFFFAOYSA-N 1 2 189.218 1.467 10 0 ADAELO Cc1c(-c2ccc[nH+]c2N)cnn1C 85112207 573982172 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N[C@H](c1c[nH+]cn1C1CC1)C(F)F 87688033 574015680 /nfs/dbraw/zinc/01/56/80/574015680.db2.gz XQWAIGSPUAQVRX-SSDOTTSWSA-N 1 2 187.193 1.483 10 0 ADAELO CC[C@H](C)[NH2+]CC(=O)OCC(C)C 48634904 574015724 /nfs/dbraw/zinc/01/57/24/574015724.db2.gz PRDVUOOITSNWLE-VIFPVBQESA-N 1 2 187.283 1.574 10 0 ADAELO CCn1c[nH+]cc1[C@H](N)C(F)F 87688282 574015749 /nfs/dbraw/zinc/01/57/49/574015749.db2.gz CLANXCADOQAWJQ-LURJTMIESA-N 1 2 175.182 1.168 10 0 ADAELO CC[C@H](C)[NH2+]CC(=O)OC1CCCC1 48632311 574015750 /nfs/dbraw/zinc/01/57/50/574015750.db2.gz IGTWZZCLAGNDEQ-VIFPVBQESA-N 1 2 199.294 1.860 10 0 ADAELO CC[C@@H]1CCCC[C@@H]1OC(=O)C[NH2+]C 48634113 574015773 /nfs/dbraw/zinc/01/57/73/574015773.db2.gz BIQCGDDPLGLEEJ-ZJUUUORDSA-N 1 2 199.294 1.718 10 0 ADAELO C[C@@]([NH3+])(c1ccco1)C(F)F 87688248 574015774 /nfs/dbraw/zinc/01/57/74/574015774.db2.gz NCGJDSJSQMNEQY-SSDOTTSWSA-N 1 2 161.151 1.719 10 0 ADAELO C[C@]([NH3+])(c1ccco1)C(F)F 87688249 574015780 /nfs/dbraw/zinc/01/57/80/574015780.db2.gz 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C[C@@H]1CCC[C@H]1n1c[nH+]cc1CO 85215809 574017358 /nfs/dbraw/zinc/01/73/58/574017358.db2.gz HXDHFQFLBSCAKE-PSASIEDQSA-N 1 2 180.251 1.737 10 0 ADAELO CC(=O)[C@@H]([NH3+])c1ccc(C)nc1Cl 104500937 574017396 /nfs/dbraw/zinc/01/73/96/574017396.db2.gz VAFASMHVVDDKJG-MRVPVSSYSA-N 1 2 198.653 1.632 10 0 ADAELO CC(=O)[C@@H]([NH3+])c1cc(Cl)ccc1N 104499957 574017402 /nfs/dbraw/zinc/01/74/02/574017402.db2.gz SVGJRYGBLMQGLK-SECBINFHSA-N 1 2 198.653 1.511 10 0 ADAELO Cc1nc(C(=O)C[NH+](C)C)sc1C 104504103 574019520 /nfs/dbraw/zinc/01/95/20/574019520.db2.gz MSOZJJCNFKGABS-UHFFFAOYSA-N 1 2 198.291 1.504 10 0 ADAELO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2F)no1 585386231 574019260 /nfs/dbraw/zinc/01/92/60/574019260.db2.gz WGKZMZPNYKSTCD-NXEZZACHSA-N 1 2 198.241 1.963 10 0 ADAELO Clc1ccncc1[C@H]1COCC[NH2+]1 104504834 574019278 /nfs/dbraw/zinc/01/92/78/574019278.db2.gz BOVYHRAAAIVBJB-SECBINFHSA-N 1 2 198.653 1.396 10 0 ADAELO NN1C=C[NH+]=C(c2ccccc2)C1 104507523 574019536 /nfs/dbraw/zinc/01/95/36/574019536.db2.gz HZBBYJUFLXDXKW-UHFFFAOYSA-N 1 2 173.219 1.136 10 0 ADAELO F[C@H]1CCC[C@@H]1[NH2+]Cc1cocn1 585385527 574019429 /nfs/dbraw/zinc/01/94/29/574019429.db2.gz COIKLPLIUNQRJD-IUCAKERBSA-N 1 2 184.214 1.655 10 0 ADAELO CCC(CC)C[C@H]([NH3+])c1ncn[nH]1 128153896 574021212 /nfs/dbraw/zinc/02/12/12/574021212.db2.gz XUNVKANJXZMIGL-QMMMGPOBSA-N 1 2 182.271 1.631 10 0 ADAELO C[C@@H]([NH3+])c1nnc([C@H]2CCCS2)[nH]1 87716467 574021278 /nfs/dbraw/zinc/02/12/78/574021278.db2.gz QKCVVGSKYYQUBL-PHDIDXHHSA-N 1 2 198.295 1.393 10 0 ADAELO C[C@@H]([NH3+])c1n[nH]c([C@H]2CCCS2)n1 87716467 574021280 /nfs/dbraw/zinc/02/12/80/574021280.db2.gz QKCVVGSKYYQUBL-PHDIDXHHSA-N 1 2 198.295 1.393 10 0 ADAELO Clc1ccncc1[C@@H]1COCC[NH2+]1 104504827 574021030 /nfs/dbraw/zinc/02/10/30/574021030.db2.gz BOVYHRAAAIVBJB-VIFPVBQESA-N 1 2 198.653 1.396 10 0 ADAELO NNc1ccnc([C@H]2CCCS2)[nH+]1 87715886 574021032 /nfs/dbraw/zinc/02/10/32/574021032.db2.gz JZJAETCRFZGOAI-ZCFIWIBFSA-N 1 2 196.279 1.330 10 0 ADAELO Cc1ocnc1C[NH2+][C@H]1CCC[C@@H]1F 585385600 574021068 /nfs/dbraw/zinc/02/10/68/574021068.db2.gz DKGMKODKEMZACH-IUCAKERBSA-N 1 2 198.241 1.963 10 0 ADAELO COC(=[NH2+])[C@H]1CCCS1 87714807 574021145 /nfs/dbraw/zinc/02/11/45/574021145.db2.gz OTDAAVFSBCGCKQ-RXMQYKEDSA-N 1 2 145.227 1.506 10 0 ADAELO Cc1noc(C[NH2+][C@@H]2CCC[C@@H]2F)n1 585386292 574021168 /nfs/dbraw/zinc/02/11/68/574021168.db2.gz XSIMYRPHDPKQGL-JGVFFNPUSA-N 1 2 199.229 1.358 10 0 ADAELO Cc1noc(C[NH2+][C@@H]2CCC[C@H]2F)n1 585386291 574021183 /nfs/dbraw/zinc/02/11/83/574021183.db2.gz XSIMYRPHDPKQGL-HTQZYQBOSA-N 1 2 199.229 1.358 10 0 ADAELO CCC(CC)C[C@H]([NH2+]C)c1ncn[nH]1 128154765 574021252 /nfs/dbraw/zinc/02/12/52/574021252.db2.gz DXDSJYCQWZVAOA-VIFPVBQESA-N 1 2 196.298 1.892 10 0 ADAELO Cc1cc(C=O)cnc1-n1cc[nH+]c1 87718005 574023092 /nfs/dbraw/zinc/02/30/92/574023092.db2.gz VVJJWVLHWFPJTC-UHFFFAOYSA-N 1 2 187.202 1.388 10 0 ADAELO Cc1cnc(F)c([C@@H]2COCC[NH2+]2)c1 104515170 574023176 /nfs/dbraw/zinc/02/31/76/574023176.db2.gz FFTCRXZLMALHRQ-VIFPVBQESA-N 1 2 196.225 1.190 10 0 ADAELO Cc1cc(CO)cnc1-n1cc[nH+]c1 87718512 574023239 /nfs/dbraw/zinc/02/32/39/574023239.db2.gz CIXJUCNVQVOOAN-UHFFFAOYSA-N 1 2 189.218 1.068 10 0 ADAELO CN[C@@H](c1c[nH+]cn1C)C(F)(F)F 85276799 574025782 /nfs/dbraw/zinc/02/57/82/574025782.db2.gz OWFJQGGQUHSDOP-LURJTMIESA-N 1 2 193.172 1.243 10 0 ADAELO CN[C@H](c1c[nH+]cn1C)C(F)(F)F 85276801 574025952 /nfs/dbraw/zinc/02/59/52/574025952.db2.gz OWFJQGGQUHSDOP-ZCFIWIBFSA-N 1 2 193.172 1.243 10 0 ADAELO CCc1[nH+]ccn1-c1cccc(N)n1 87731942 574025991 /nfs/dbraw/zinc/02/59/91/574025991.db2.gz STLOCEBQHYKULC-UHFFFAOYSA-N 1 2 188.234 1.412 10 0 ADAELO CC[N@H+](C)Cc1nc(C)cc(Cl)n1 87735009 574026420 /nfs/dbraw/zinc/02/64/20/574026420.db2.gz JWMVTMVWHXCLDK-UHFFFAOYSA-N 1 2 199.685 1.890 10 0 ADAELO CC[N@@H+](C)Cc1nc(C)cc(Cl)n1 87735009 574026423 /nfs/dbraw/zinc/02/64/23/574026423.db2.gz JWMVTMVWHXCLDK-UHFFFAOYSA-N 1 2 199.685 1.890 10 0 ADAELO CN1CC(C)(C)Nc2ccc([NH3+])cc21 259280180 574026495 /nfs/dbraw/zinc/02/64/95/574026495.db2.gz PMPZITVSLQRZGF-UHFFFAOYSA-N 1 2 191.278 1.909 10 0 ADAELO CN1CC(C)(C)[NH2+]c2ccc(N)cc21 259280180 574026501 /nfs/dbraw/zinc/02/65/01/574026501.db2.gz PMPZITVSLQRZGF-UHFFFAOYSA-N 1 2 191.278 1.909 10 0 ADAELO CC(C)OCCOc1ccc[nH+]c1N 49258848 574027081 /nfs/dbraw/zinc/02/70/81/574027081.db2.gz GJDYFWJWOKRTPY-UHFFFAOYSA-N 1 2 196.250 1.468 10 0 ADAELO CC1(C)CC[C@H]([NH2+]Cc2ncn[nH]2)C1 87771159 574027092 /nfs/dbraw/zinc/02/70/92/574027092.db2.gz AMJBDFLDDNVUEI-QMMMGPOBSA-N 1 2 194.282 1.473 10 0 ADAELO COC(=[NH2+])[C@]1(C)CCCCO1 87764362 574027124 /nfs/dbraw/zinc/02/71/24/574027124.db2.gz HCYCCCXWVFWFDT-QMMMGPOBSA-N 1 2 157.213 1.569 10 0 ADAELO COC(=[NH2+])[C@@]1(C)CCCCO1 87764359 574027188 /nfs/dbraw/zinc/02/71/88/574027188.db2.gz HCYCCCXWVFWFDT-MRVPVSSYSA-N 1 2 157.213 1.569 10 0 ADAELO C1CCC(S[C@@H]2COCC[NH2+]2)C1 259285179 574028646 /nfs/dbraw/zinc/02/86/46/574028646.db2.gz SEOHRIGUGMPNCD-SECBINFHSA-N 1 2 187.308 1.608 10 0 ADAELO C[C@@H]1C[NH2+][C@@H](c2ccncn2)S1 85300898 574028788 /nfs/dbraw/zinc/02/87/88/574028788.db2.gz MWOYOUAOWRDVCR-HTRCEHHLSA-N 1 2 181.264 1.200 10 0 ADAELO C[C@H]1C[NH2+][C@H](c2ccncn2)S1 85300894 574028859 /nfs/dbraw/zinc/02/88/59/574028859.db2.gz MWOYOUAOWRDVCR-XPUUQOCRSA-N 1 2 181.264 1.200 10 0 ADAELO C[C@@H]1CS[C@@H](c2ccncn2)[NH2+]1 85309463 574031328 /nfs/dbraw/zinc/03/13/28/574031328.db2.gz NXLXWPJMXQDQRZ-SVRRBLITSA-N 1 2 181.264 1.200 10 0 ADAELO Nc1[nH+]cccc1OCCF 87774125 574030111 /nfs/dbraw/zinc/03/01/11/574030111.db2.gz GWKIQNVTPZKEBF-UHFFFAOYSA-N 1 2 156.160 1.012 10 0 ADAELO C[C@@H]1C[NH2+][C@H](c2ccco2)C[S@@]1=O 85304977 574030275 /nfs/dbraw/zinc/03/02/75/574030275.db2.gz VIZJEVQUEQXYFS-BFHDXFOESA-N 1 2 199.275 1.061 10 0 ADAELO [NH3+]c1ccc2c(c1)CCN2CCF 87775873 574030440 /nfs/dbraw/zinc/03/04/40/574030440.db2.gz IEBGIIWXEAFHID-UHFFFAOYSA-N 1 2 180.226 1.601 10 0 ADAELO Nc1ccc(SCCF)c[nH+]1 87775739 574030472 /nfs/dbraw/zinc/03/04/72/574030472.db2.gz 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574031240 /nfs/dbraw/zinc/03/12/40/574031240.db2.gz AQXGNNQDTAELFA-LLVKDONJSA-N 1 2 199.257 1.797 10 0 ADAELO C[C@@H]1CS[C@H](c2ccncn2)[NH2+]1 85309459 574031321 /nfs/dbraw/zinc/03/13/21/574031321.db2.gz NXLXWPJMXQDQRZ-HTRCEHHLSA-N 1 2 181.264 1.200 10 0 ADAELO NN[C@@H]([NH3+])c1csc2ccccc12 259289419 574034932 /nfs/dbraw/zinc/03/49/32/574034932.db2.gz HREXEQIGXHDJGK-SECBINFHSA-N 1 2 193.275 1.322 10 0 ADAELO CCSc1ccc([C@@H]([NH3+])NN)cc1 259289511 574035266 /nfs/dbraw/zinc/03/52/66/574035266.db2.gz HSGXQHLKFFXCFL-VIFPVBQESA-N 1 2 197.307 1.219 10 0 ADAELO CCOC(=O)[C@H](C)Nc1cc[nH+]cc1 49374410 574034813 /nfs/dbraw/zinc/03/48/13/574034813.db2.gz JZVAWTLMRHDCCH-QMMMGPOBSA-N 1 2 194.234 1.445 10 0 ADAELO C[C@@H]1CCS[C@H](c2cnn(C)c2)[NH2+]1 85318556 574034895 /nfs/dbraw/zinc/03/48/95/574034895.db2.gz CNQYULOQJDXKHB-VXNVDRBHSA-N 1 2 197.307 1.534 10 0 ADAELO CCOC(=O)[C@@H](C)Nc1cc[nH+]cc1 49374408 574035366 /nfs/dbraw/zinc/03/53/66/574035366.db2.gz JZVAWTLMRHDCCH-MRVPVSSYSA-N 1 2 194.234 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/nfs/dbraw/zinc/24/12/62/487241262.db2.gz PEXVTEAMXDPYRM-RNFRBKRXSA-N 1 2 193.237 1.797 10 0 ADAELO CO[C@@H](C)[C@@H](C)[NH2+]C1(C(F)F)CC1 379384648 487241327 /nfs/dbraw/zinc/24/13/27/487241327.db2.gz PEXVTEAMXDPYRM-RQJHMYQMSA-N 1 2 193.237 1.797 10 0 ADAELO CO[C@@H](C)[C@H](C)[NH2+]C1(C(F)F)CC1 379384645 487241381 /nfs/dbraw/zinc/24/13/81/487241381.db2.gz PEXVTEAMXDPYRM-BQBZGAKWSA-N 1 2 193.237 1.797 10 0 ADAELO CO[C@H](C)[C@H](C)[NH2+]C1(C(F)F)CC1 379384646 487241390 /nfs/dbraw/zinc/24/13/90/487241390.db2.gz PEXVTEAMXDPYRM-NKWVEPMBSA-N 1 2 193.237 1.797 10 0 ADAELO OCCC[N@H+]1CCCC[C@@H]1C(F)F 388253608 487258917 /nfs/dbraw/zinc/25/89/17/487258917.db2.gz YFCGAVZPWMVOOW-MRVPVSSYSA-N 1 2 193.237 1.488 10 0 ADAELO OCCC[N@@H+]1CCCC[C@H]1C(F)F 388253609 487258676 /nfs/dbraw/zinc/25/86/76/487258676.db2.gz YFCGAVZPWMVOOW-QMMMGPOBSA-N 1 2 193.237 1.488 10 0 ADAELO OCCC[N@H+]1CCCC[C@H]1C(F)F 388253609 487258680 /nfs/dbraw/zinc/25/86/80/487258680.db2.gz YFCGAVZPWMVOOW-QMMMGPOBSA-N 1 2 193.237 1.488 10 0 ADAELO OCCC[N@@H+]1CCCC[C@@H]1C(F)F 388253608 487258916 /nfs/dbraw/zinc/25/89/16/487258916.db2.gz YFCGAVZPWMVOOW-MRVPVSSYSA-N 1 2 193.237 1.488 10 0 ADAELO COCC[N@@H+]1CCCC[C@H]1C(F)F 388762937 487261297 /nfs/dbraw/zinc/26/12/97/487261297.db2.gz DXYSDVNMSZOJEK-QMMMGPOBSA-N 1 2 193.237 1.752 10 0 ADAELO COCC[N@H+]1CCCC[C@H]1C(F)F 388762937 487261300 /nfs/dbraw/zinc/26/13/00/487261300.db2.gz DXYSDVNMSZOJEK-QMMMGPOBSA-N 1 2 193.237 1.752 10 0 ADAELO COCC[N@@H+]1CCCC[C@@H]1C(F)F 388762936 487261634 /nfs/dbraw/zinc/26/16/34/487261634.db2.gz DXYSDVNMSZOJEK-MRVPVSSYSA-N 1 2 193.237 1.752 10 0 ADAELO COCC[N@H+]1CCCC[C@@H]1C(F)F 388762936 487261637 /nfs/dbraw/zinc/26/16/37/487261637.db2.gz DXYSDVNMSZOJEK-MRVPVSSYSA-N 1 2 193.237 1.752 10 0 ADAELO FC(F)C1(NCc2[nH]cc[nH+]2)CC1 393590108 487266628 /nfs/dbraw/zinc/26/66/28/487266628.db2.gz MDSFMFWNJFVCMO-UHFFFAOYSA-N 1 2 187.193 1.297 10 0 ADAELO Cn1cc(-c2c[nH+]c(N)cc2F)cn1 584628289 487295439 /nfs/dbraw/zinc/29/54/39/487295439.db2.gz GXUANCPSPSFOIB-UHFFFAOYSA-N 1 2 192.197 1.203 10 0 ADAELO Nc1ccc(C2=CSCC2)c[nH+]1 584628265 487295491 /nfs/dbraw/zinc/29/54/91/487295491.db2.gz DYJXFGHRQOZZDG-UHFFFAOYSA-N 1 2 178.260 2.142 10 0 ADAELO CC1(C)CO[C@@H](Cn2cc[nH+]c2)C1 606255082 487303440 /nfs/dbraw/zinc/30/34/40/487303440.db2.gz ZPLXSFMMEDPUNY-SECBINFHSA-N 1 2 180.251 1.698 10 0 ADAELO CC1(C)CO[C@H](Cn2cc[nH+]c2)C1 606255083 487303868 /nfs/dbraw/zinc/30/38/68/487303868.db2.gz ZPLXSFMMEDPUNY-VIFPVBQESA-N 1 2 180.251 1.698 10 0 ADAELO Cc1cn(C)nc1NCc1[nH]cc[nH+]1 606263745 487304319 /nfs/dbraw/zinc/30/43/19/487304319.db2.gz PGLITXNRVYNGJP-UHFFFAOYSA-N 1 2 191.238 1.064 10 0 ADAELO Fc1c[nH+]ccc1N[C@@H]1CCCOC1 606270634 487304901 /nfs/dbraw/zinc/30/49/01/487304901.db2.gz YLCNPQMFCQBMRR-MRVPVSSYSA-N 1 2 196.225 1.234 10 0 ADAELO Fc1c[nH+]ccc1N[C@H]1CCCOC1 606270635 487304911 /nfs/dbraw/zinc/30/49/11/487304911.db2.gz YLCNPQMFCQBMRR-QMMMGPOBSA-N 1 2 196.225 1.234 10 0 ADAELO FCCNc1cc(NC2CC2)nc[nH+]1 665716480 487314084 /nfs/dbraw/zinc/31/40/84/487314084.db2.gz WIBHYUMHWHPQIU-UHFFFAOYSA-N 1 2 196.229 1.432 10 0 ADAELO FCCNc1cc(NC2CC2)[nH+]cn1 665716480 487314087 /nfs/dbraw/zinc/31/40/87/487314087.db2.gz WIBHYUMHWHPQIU-UHFFFAOYSA-N 1 2 196.229 1.432 10 0 ADAELO Cc1occc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 666379885 487327768 /nfs/dbraw/zinc/32/77/68/487327768.db2.gz OSXYJCQSACHEIZ-WDEREUQCSA-N 1 2 193.246 1.561 10 0 ADAELO Cc1occc1C[N@H+]1CCO[C@@H]2C[C@@H]21 666379885 487327771 /nfs/dbraw/zinc/32/77/71/487327771.db2.gz OSXYJCQSACHEIZ-WDEREUQCSA-N 1 2 193.246 1.561 10 0 ADAELO Cc1occc1C[N@@H+]1CCO[C@H]2C[C@H]21 666379883 487327899 /nfs/dbraw/zinc/32/78/99/487327899.db2.gz OSXYJCQSACHEIZ-MNOVXSKESA-N 1 2 193.246 1.561 10 0 ADAELO Cc1occc1C[N@H+]1CCO[C@H]2C[C@H]21 666379883 487327903 /nfs/dbraw/zinc/32/79/03/487327903.db2.gz OSXYJCQSACHEIZ-MNOVXSKESA-N 1 2 193.246 1.561 10 0 ADAELO FC[C@@H]1C[N@H+](CC2(F)CC2)CCO1 666399632 487328806 /nfs/dbraw/zinc/32/88/06/487328806.db2.gz VWHLWSHLBMEBRA-MRVPVSSYSA-N 1 2 191.221 1.159 10 0 ADAELO FC[C@@H]1C[N@@H+](CC2(F)CC2)CCO1 666399632 487328811 /nfs/dbraw/zinc/32/88/11/487328811.db2.gz VWHLWSHLBMEBRA-MRVPVSSYSA-N 1 2 191.221 1.159 10 0 ADAELO FC[C@H]1C[N@H+](CC2(F)CC2)CCO1 666399633 487328975 /nfs/dbraw/zinc/32/89/75/487328975.db2.gz VWHLWSHLBMEBRA-QMMMGPOBSA-N 1 2 191.221 1.159 10 0 ADAELO FC[C@H]1C[N@@H+](CC2(F)CC2)CCO1 666399633 487328977 /nfs/dbraw/zinc/32/89/77/487328977.db2.gz VWHLWSHLBMEBRA-QMMMGPOBSA-N 1 2 191.221 1.159 10 0 ADAELO CCC[C@@H](C)CNCC(F)(F)C[NH3+] 666864742 487343012 /nfs/dbraw/zinc/34/30/12/487343012.db2.gz NJTQCZJMGIDGMS-MRVPVSSYSA-N 1 2 194.269 1.606 10 0 ADAELO CCC[C@H](C)CNCC(F)(F)C[NH3+] 666864743 487343513 /nfs/dbraw/zinc/34/35/13/487343513.db2.gz NJTQCZJMGIDGMS-QMMMGPOBSA-N 1 2 194.269 1.606 10 0 ADAELO CC(C)n1cc[nH+]c1CN1CC(F)C1 667970752 487358364 /nfs/dbraw/zinc/35/83/64/487358364.db2.gz SHAHJGWGLLMYHH-UHFFFAOYSA-N 1 2 197.257 1.618 10 0 ADAELO CC1C[NH+](Cc2nccn2C(C)C)C1 668093610 487359756 /nfs/dbraw/zinc/35/97/56/487359756.db2.gz PASAVYVMEUIZTK-UHFFFAOYSA-N 1 2 193.294 1.916 10 0 ADAELO FCC[NH2+]Cc1cn(C2CCC2)nn1 668099814 487359994 /nfs/dbraw/zinc/35/99/94/487359994.db2.gz VJBLVKDIBZIJSY-UHFFFAOYSA-N 1 2 198.245 1.062 10 0 ADAELO CC1C[NH+](Cc2cc3n(n2)CCC3)C1 668093440 487360180 /nfs/dbraw/zinc/36/01/80/487360180.db2.gz KFXXVNHPGZQZLK-UHFFFAOYSA-N 1 2 191.278 1.281 10 0 ADAELO FC(F)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 668146470 487360315 /nfs/dbraw/zinc/36/03/15/487360315.db2.gz HUJIZRHUSLDSTK-JGVFFNPUSA-N 1 2 191.221 1.409 10 0 ADAELO FC(F)C[NH2+][C@@H]1CO[C@H](C2CC2)C1 668146472 487360336 /nfs/dbraw/zinc/36/03/36/487360336.db2.gz HUJIZRHUSLDSTK-YUMQZZPRSA-N 1 2 191.221 1.409 10 0 ADAELO FC(F)C[NH2+][C@H]1CO[C@@H](C2CC2)C1 668146469 487360550 /nfs/dbraw/zinc/36/05/50/487360550.db2.gz HUJIZRHUSLDSTK-HTQZYQBOSA-N 1 2 191.221 1.409 10 0 ADAELO FC(F)C[NH2+][C@H]1CO[C@H](C2CC2)C1 668146471 487360651 /nfs/dbraw/zinc/36/06/51/487360651.db2.gz HUJIZRHUSLDSTK-SFYZADRCSA-N 1 2 191.221 1.409 10 0 ADAELO FC(F)C1C[NH+](Cc2cn[nH]c2)C1 668232262 487361612 /nfs/dbraw/zinc/36/16/12/487361612.db2.gz JLAMKDRDDJAWOC-UHFFFAOYSA-N 1 2 187.193 1.107 10 0 ADAELO CN(Cc1cocn1)Cc1c[nH+]c[nH]1 668421660 487362416 /nfs/dbraw/zinc/36/24/16/487362416.db2.gz APTKPTUHMUVGAZ-UHFFFAOYSA-N 1 2 192.222 1.030 10 0 ADAELO CN(Cc1cocn1)Cc1c[nH]c[nH+]1 668421660 487362417 /nfs/dbraw/zinc/36/24/17/487362417.db2.gz APTKPTUHMUVGAZ-UHFFFAOYSA-N 1 2 192.222 1.030 10 0 ADAELO COCCC1C[NH+](Cc2cocn2)C1 668471908 487362741 /nfs/dbraw/zinc/36/27/41/487362741.db2.gz PTUONYZMOKUOIS-UHFFFAOYSA-N 1 2 196.250 1.143 10 0 ADAELO FC1(C[NH2+]Cc2cocn2)CC1 393355932 582464163 /nfs/dbraw/zinc/46/41/63/582464163.db2.gz SFZVGDIFXCMMQC-UHFFFAOYSA-N 1 2 170.187 1.266 10 0 ADAELO CC(C)=C(C)CC[N@@H+]1CC[C@@H]1C[NH3+] 757149153 582465847 /nfs/dbraw/zinc/46/58/47/582465847.db2.gz YIZOJHUSHFMQID-LLVKDONJSA-N 1 2 182.311 1.766 10 0 ADAELO CC(C)=C(C)CC[N@H+]1CC[C@@H]1C[NH3+] 757149153 582465848 /nfs/dbraw/zinc/46/58/48/582465848.db2.gz YIZOJHUSHFMQID-LLVKDONJSA-N 1 2 182.311 1.766 10 0 ADAELO CC(C)=C(C)CC[N@@H+]1CC[C@H]1C[NH3+] 757149154 582466094 /nfs/dbraw/zinc/46/60/94/582466094.db2.gz YIZOJHUSHFMQID-NSHDSACASA-N 1 2 182.311 1.766 10 0 ADAELO CC(C)=C(C)CC[N@H+]1CC[C@H]1C[NH3+] 757149154 582466095 /nfs/dbraw/zinc/46/60/95/582466095.db2.gz YIZOJHUSHFMQID-NSHDSACASA-N 1 2 182.311 1.766 10 0 ADAELO FC1(F)C[NH2+]C2(CCCCC2)OC1 757153890 582467499 /nfs/dbraw/zinc/46/74/99/582467499.db2.gz YIRFLVDZAUEWML-UHFFFAOYSA-N 1 2 191.221 1.902 10 0 ADAELO FC1(F)C[NH2+]C2(CCCC2)OC1 757153415 582467848 /nfs/dbraw/zinc/46/78/48/582467848.db2.gz VEYOWVGBKQNFPT-UHFFFAOYSA-N 1 2 177.194 1.512 10 0 ADAELO O=Cc1ncccc1-n1cc[nH+]c1 757164103 582468718 /nfs/dbraw/zinc/46/87/18/582468718.db2.gz DOWXBKMJWLCOBF-UHFFFAOYSA-N 1 2 173.175 1.080 10 0 ADAELO O=Cc1c(F)cncc1-n1cc[nH+]c1 757164118 582468986 /nfs/dbraw/zinc/46/89/86/582468986.db2.gz VMIWBHPKGZLMHI-UHFFFAOYSA-N 1 2 191.165 1.219 10 0 ADAELO Cc1cn(-c2cccnc2C=O)c[nH+]1 757164091 582469118 /nfs/dbraw/zinc/46/91/18/582469118.db2.gz COVWSLBENZMFBC-UHFFFAOYSA-N 1 2 187.202 1.388 10 0 ADAELO CC[C@H]1CC[N@H+](CC(F)(F)CN)C1 308340275 582477975 /nfs/dbraw/zinc/47/79/75/582477975.db2.gz QOPDWFQAIUAPCX-QMMMGPOBSA-N 1 2 192.253 1.312 10 0 ADAELO CC[C@H]1CC[N@@H+](CC(F)(F)CN)C1 308340275 582477977 /nfs/dbraw/zinc/47/79/77/582477977.db2.gz QOPDWFQAIUAPCX-QMMMGPOBSA-N 1 2 192.253 1.312 10 0 ADAELO CC[C@@H]1CC[N@H+](CC(F)(F)CN)C1 308340272 582478010 /nfs/dbraw/zinc/47/80/10/582478010.db2.gz QOPDWFQAIUAPCX-MRVPVSSYSA-N 1 2 192.253 1.312 10 0 ADAELO CC[C@@H]1CC[N@@H+](CC(F)(F)CN)C1 308340272 582478012 /nfs/dbraw/zinc/47/80/12/582478012.db2.gz QOPDWFQAIUAPCX-MRVPVSSYSA-N 1 2 192.253 1.312 10 0 ADAELO Fc1c[nH+]ccc1NCc1cn[nH]c1 306510807 582487541 /nfs/dbraw/zinc/48/75/41/582487541.db2.gz LPTCZOIBLCWCND-UHFFFAOYSA-N 1 2 192.197 1.556 10 0 ADAELO COCC[N@@H+](C/C=C\Cl)CCF 852483929 582497714 /nfs/dbraw/zinc/49/77/14/582497714.db2.gz 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791568837 582914016 /nfs/dbraw/zinc/91/40/16/582914016.db2.gz YBXLCUKYBBNRGH-UWVGGRQHSA-N 1 2 199.294 1.812 10 0 ADAELO CC1=CCC[N@@H+](Cc2nonc2C)C1 797996493 582929008 /nfs/dbraw/zinc/92/90/08/582929008.db2.gz IDKQNVRUZUOOCW-UHFFFAOYSA-N 1 2 193.250 1.530 10 0 ADAELO CC1=CCC[N@H+](Cc2nonc2C)C1 797996493 582929009 /nfs/dbraw/zinc/92/90/09/582929009.db2.gz IDKQNVRUZUOOCW-UHFFFAOYSA-N 1 2 193.250 1.530 10 0 ADAELO CC(C)Cc1nc2[nH]ccc2c(N)[nH+]1 757567467 582938040 /nfs/dbraw/zinc/93/80/40/582938040.db2.gz NHINDVNXOHJJMJ-UHFFFAOYSA-N 1 2 190.250 1.690 10 0 ADAELO CCc1nc2[nH]ccc2c(NC)[nH+]1 757568826 582939598 /nfs/dbraw/zinc/93/95/98/582939598.db2.gz RJAWKEYBXRPYFZ-UHFFFAOYSA-N 1 2 176.223 1.514 10 0 ADAELO COc1cc[nH+]c(C2=CCOCC2)c1 757571907 582939845 /nfs/dbraw/zinc/93/98/45/582939845.db2.gz NHYHRFPVXFXPDZ-UHFFFAOYSA-N 1 2 191.230 1.894 10 0 ADAELO CC(C)c1nc2[nH]ccc2c(N)[nH+]1 757570703 582940338 /nfs/dbraw/zinc/94/03/38/582940338.db2.gz YEWLZAALJXYBAC-UHFFFAOYSA-N 1 2 176.223 1.615 10 0 ADAELO CCCc1ccoc1C(=[NH2+])NN 757121849 582942169 /nfs/dbraw/zinc/94/21/69/582942169.db2.gz LPBXJONZLUGONC-UHFFFAOYSA-N 1 2 167.212 1.021 10 0 ADAELO CCC1(CC)[NH2+]CC(F)(F)CO1 757154278 582944669 /nfs/dbraw/zinc/94/46/69/582944669.db2.gz ZRYBOZNHTQPSQL-UHFFFAOYSA-N 1 2 179.210 1.758 10 0 ADAELO CCOC(=O)/C=C(/C)c1[nH+]ccn1C 757189368 582949378 /nfs/dbraw/zinc/94/93/78/582949378.db2.gz GSMWLIWVCHSVLJ-FPLPWBNLSA-N 1 2 194.234 1.387 10 0 ADAELO CCOC(=O)/C=C(/C)c1[nH]cc[nH+]1 757191700 582950177 /nfs/dbraw/zinc/95/01/77/582950177.db2.gz QFTKATLMJQDYHV-SREVYHEPSA-N 1 2 180.207 1.376 10 0 ADAELO Nc1[nH+]c(CC2CC2)nc2[nH]ccc12 757570863 582957958 /nfs/dbraw/zinc/95/79/58/582957958.db2.gz ZJHWUPOWEQOLLW-UHFFFAOYSA-N 1 2 188.234 1.444 10 0 ADAELO CCNc1[nH+]c(CC)nc2[nH]ccc12 757565853 582958070 /nfs/dbraw/zinc/95/80/70/582958070.db2.gz INIWGAZCPQQKNX-UHFFFAOYSA-N 1 2 190.250 1.904 10 0 ADAELO CCCCc1nc2[nH]ccc2c(N)[nH+]1 757568855 582958272 /nfs/dbraw/zinc/95/82/72/582958272.db2.gz RPBOSZLOFKJMLU-UHFFFAOYSA-N 1 2 190.250 1.834 10 0 ADAELO CC(C)(C)c1nc2[nH]ccc2c(N)[nH+]1 757568910 582958292 /nfs/dbraw/zinc/95/82/92/582958292.db2.gz SEDSHRADBCWGJL-UHFFFAOYSA-N 1 2 190.250 1.789 10 0 ADAELO Cc1nc([C@H](C)[N@@H+]2CC[C@H]3C[C@H]32)no1 809968064 582963048 /nfs/dbraw/zinc/96/30/48/582963048.db2.gz MJDPPSGDVLVNEG-CNUIFLNQSA-N 1 2 193.250 1.533 10 0 ADAELO Cc1nc([C@H](C)[N@H+]2CC[C@H]3C[C@H]32)no1 809968064 582963051 /nfs/dbraw/zinc/96/30/51/582963051.db2.gz MJDPPSGDVLVNEG-CNUIFLNQSA-N 1 2 193.250 1.533 10 0 ADAELO Cc1nc([C@H](C)[N@@H+]2CC[C@@H]3C[C@@H]32)no1 809968067 582963451 /nfs/dbraw/zinc/96/34/51/582963451.db2.gz MJDPPSGDVLVNEG-ZQARSLAVSA-N 1 2 193.250 1.533 10 0 ADAELO Cc1nc([C@H](C)[N@H+]2CC[C@@H]3C[C@@H]32)no1 809968067 582963454 /nfs/dbraw/zinc/96/34/54/582963454.db2.gz MJDPPSGDVLVNEG-ZQARSLAVSA-N 1 2 193.250 1.533 10 0 ADAELO Cn1nccc1COc1cc[nH+]cc1 814264853 582977322 /nfs/dbraw/zinc/97/73/22/582977322.db2.gz BHZCMNFCNILERF-UHFFFAOYSA-N 1 2 189.218 1.394 10 0 ADAELO CC1C[NH+](Cc2cnn(C)c2Cl)C1 816595171 582985867 /nfs/dbraw/zinc/98/58/67/582985867.db2.gz CGJFYYJSDAOJKZ-UHFFFAOYSA-N 1 2 199.685 1.525 10 0 ADAELO Cc1ccc(C[N@@H+](C)CCF)cn1 816640585 582987007 /nfs/dbraw/zinc/98/70/07/582987007.db2.gz OSHDCEPEHXOYEQ-UHFFFAOYSA-N 1 2 182.242 1.791 10 0 ADAELO Cc1ncccc1C[N@H+](C)CCF 816639788 582986946 /nfs/dbraw/zinc/98/69/46/582986946.db2.gz FZERFAPWAZWQKS-UHFFFAOYSA-N 1 2 182.242 1.791 10 0 ADAELO Cc1ncccc1C[N@@H+](C)CCF 816639788 582986949 /nfs/dbraw/zinc/98/69/49/582986949.db2.gz FZERFAPWAZWQKS-UHFFFAOYSA-N 1 2 182.242 1.791 10 0 ADAELO Cc1ccc(C[N@H+](C)CCF)cn1 816640585 582987004 /nfs/dbraw/zinc/98/70/04/582987004.db2.gz OSHDCEPEHXOYEQ-UHFFFAOYSA-N 1 2 182.242 1.791 10 0 ADAELO COc1cccc(C[N@H+](C)CCF)n1 816640116 582987053 /nfs/dbraw/zinc/98/70/53/582987053.db2.gz VBEATMDZJPSSQR-UHFFFAOYSA-N 1 2 198.241 1.492 10 0 ADAELO COc1cccc(C[N@@H+](C)CCF)n1 816640116 582987056 /nfs/dbraw/zinc/98/70/56/582987056.db2.gz VBEATMDZJPSSQR-UHFFFAOYSA-N 1 2 198.241 1.492 10 0 ADAELO Cc1[nH]ncc1C[N@H+]1C[C@@H](C)[C@@H]1C 816647042 582987155 /nfs/dbraw/zinc/98/71/55/582987155.db2.gz MRZSARSJBRKVAQ-APPZFPTMSA-N 1 2 179.267 1.558 10 0 ADAELO Cc1[nH]ncc1C[N@@H+]1C[C@@H](C)[C@@H]1C 816647042 582987157 /nfs/dbraw/zinc/98/71/57/582987157.db2.gz MRZSARSJBRKVAQ-APPZFPTMSA-N 1 2 179.267 1.558 10 0 ADAELO C[C@@H]1C[N@H+](Cc2cocn2)[C@@H]1C 816647344 582987983 /nfs/dbraw/zinc/98/79/83/582987983.db2.gz QYZDEISIIOXUNE-HTQZYQBOSA-N 1 2 166.224 1.515 10 0 ADAELO C[C@@H]1C[N@@H+](Cc2cocn2)[C@@H]1C 816647344 582987986 /nfs/dbraw/zinc/98/79/86/582987986.db2.gz QYZDEISIIOXUNE-HTQZYQBOSA-N 1 2 166.224 1.515 10 0 ADAELO C[C@H]1C[N@H+](Cc2cocn2)[C@H]1C 816647347 582988142 /nfs/dbraw/zinc/98/81/42/582988142.db2.gz QYZDEISIIOXUNE-YUMQZZPRSA-N 1 2 166.224 1.515 10 0 ADAELO C[C@H]1C[N@@H+](Cc2cocn2)[C@H]1C 816647347 582988143 /nfs/dbraw/zinc/98/81/43/582988143.db2.gz QYZDEISIIOXUNE-YUMQZZPRSA-N 1 2 166.224 1.515 10 0 ADAELO Cc1[nH]ncc1C[N@H+]1C[C@@H](C)[C@H]1C 816647045 582988493 /nfs/dbraw/zinc/98/84/93/582988493.db2.gz MRZSARSJBRKVAQ-VXNVDRBHSA-N 1 2 179.267 1.558 10 0 ADAELO Cc1[nH]ncc1C[N@@H+]1C[C@@H](C)[C@H]1C 816647045 582988495 /nfs/dbraw/zinc/98/84/95/582988495.db2.gz MRZSARSJBRKVAQ-VXNVDRBHSA-N 1 2 179.267 1.558 10 0 ADAELO Cc1[nH]ncc1C[N@H+]1C[C@H](C)[C@@H]1C 816647043 582988606 /nfs/dbraw/zinc/98/86/06/582988606.db2.gz MRZSARSJBRKVAQ-CBAPKCEASA-N 1 2 179.267 1.558 10 0 ADAELO Cc1[nH]ncc1C[N@@H+]1C[C@H](C)[C@@H]1C 816647043 582988609 /nfs/dbraw/zinc/98/86/09/582988609.db2.gz MRZSARSJBRKVAQ-CBAPKCEASA-N 1 2 179.267 1.558 10 0 ADAELO Cc1[nH]ncc1C[N@H+]1C[C@H](C)[C@H]1C 816647044 582988643 /nfs/dbraw/zinc/98/86/43/582988643.db2.gz MRZSARSJBRKVAQ-IONNQARKSA-N 1 2 179.267 1.558 10 0 ADAELO Cc1[nH]ncc1C[N@@H+]1C[C@H](C)[C@H]1C 816647044 582988650 /nfs/dbraw/zinc/98/86/50/582988650.db2.gz MRZSARSJBRKVAQ-IONNQARKSA-N 1 2 179.267 1.558 10 0 ADAELO C[C@H]1[C@H](C)C[N@@H+]1Cc1cocn1 816647346 582988728 /nfs/dbraw/zinc/98/87/28/582988728.db2.gz QYZDEISIIOXUNE-SFYZADRCSA-N 1 2 166.224 1.515 10 0 ADAELO C[C@H]1[C@H](C)C[N@H+]1Cc1cocn1 816647346 582988730 /nfs/dbraw/zinc/98/87/30/582988730.db2.gz QYZDEISIIOXUNE-SFYZADRCSA-N 1 2 166.224 1.515 10 0 ADAELO C[C@H]1C[N@H+](Cc2cocn2)[C@@H]1C 816647345 582988815 /nfs/dbraw/zinc/98/88/15/582988815.db2.gz QYZDEISIIOXUNE-JGVFFNPUSA-N 1 2 166.224 1.515 10 0 ADAELO C[C@H]1C[N@@H+](Cc2cocn2)[C@@H]1C 816647345 582988816 /nfs/dbraw/zinc/98/88/16/582988816.db2.gz QYZDEISIIOXUNE-JGVFFNPUSA-N 1 2 166.224 1.515 10 0 ADAELO CC(C)n1c[nH+]cc1CN(C)CCF 822486138 583036604 /nfs/dbraw/zinc/03/66/04/583036604.db2.gz YWRMZCPIJPRYFZ-UHFFFAOYSA-N 1 2 199.273 1.865 10 0 ADAELO C[N@H+](Cc1cc(F)ncc1F)C1CC1 823403827 583040594 /nfs/dbraw/zinc/04/05/94/583040594.db2.gz BXDXGBFBLCWCEW-UHFFFAOYSA-N 1 2 198.216 1.954 10 0 ADAELO C[N@@H+](Cc1cc(F)ncc1F)C1CC1 823403827 583040596 /nfs/dbraw/zinc/04/05/96/583040596.db2.gz BXDXGBFBLCWCEW-UHFFFAOYSA-N 1 2 198.216 1.954 10 0 ADAELO Cn1ccc(C[NH2+]C(CF)CF)c1 824554273 583044352 /nfs/dbraw/zinc/04/43/52/583044352.db2.gz DQAQVQYMSLOPPE-UHFFFAOYSA-N 1 2 188.221 1.422 10 0 ADAELO Fc1ccc(C[N@H+]2CC[C@@H](F)C2)cn1 824570765 583045703 /nfs/dbraw/zinc/04/57/03/583045703.db2.gz HFXXIWKFNRJKKI-SECBINFHSA-N 1 2 198.216 1.765 10 0 ADAELO Fc1ccc(C[N@@H+]2CC[C@@H](F)C2)cn1 824570765 583045705 /nfs/dbraw/zinc/04/57/05/583045705.db2.gz HFXXIWKFNRJKKI-SECBINFHSA-N 1 2 198.216 1.765 10 0 ADAELO FCC(CF)[NH2+]CC1(F)CC1 824555975 583045779 /nfs/dbraw/zinc/04/57/79/583045779.db2.gz YIKUTHTVPPCMQM-UHFFFAOYSA-N 1 2 167.174 1.386 10 0 ADAELO FCC(CF)[NH2+]Cc1ccoc1 824555675 583045805 /nfs/dbraw/zinc/04/58/05/583045805.db2.gz WPSBCQLVZHRCBD-UHFFFAOYSA-N 1 2 175.178 1.677 10 0 ADAELO Fc1ccc(C[N@H+]2CC[C@H](F)C2)cn1 824570771 583045837 /nfs/dbraw/zinc/04/58/37/583045837.db2.gz HFXXIWKFNRJKKI-VIFPVBQESA-N 1 2 198.216 1.765 10 0 ADAELO Fc1ccc(C[N@@H+]2CC[C@H](F)C2)cn1 824570771 583045839 /nfs/dbraw/zinc/04/58/39/583045839.db2.gz HFXXIWKFNRJKKI-VIFPVBQESA-N 1 2 198.216 1.765 10 0 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/nfs/dbraw/zinc/06/01/45/583060145.db2.gz RWMUJJGZFMBFRR-BKPPORCPSA-N 1 2 195.291 1.693 10 0 ADAELO C[C@H](c1csnn1)[N@H+]1CC[C@H]2C[C@H]21 828533940 583060149 /nfs/dbraw/zinc/06/01/49/583060149.db2.gz RWMUJJGZFMBFRR-BKPPORCPSA-N 1 2 195.291 1.693 10 0 ADAELO CC[N@@H+]1CCc2cc(Cl)nnc2C1 829135949 583062207 /nfs/dbraw/zinc/06/22/07/583062207.db2.gz HXPYIKRKAUGVMR-UHFFFAOYSA-N 1 2 197.669 1.508 10 0 ADAELO CC[N@H+]1CCc2cc(Cl)nnc2C1 829135949 583062210 /nfs/dbraw/zinc/06/22/10/583062210.db2.gz HXPYIKRKAUGVMR-UHFFFAOYSA-N 1 2 197.669 1.508 10 0 ADAELO F[C@@H]1CC[N@H+](C/C=C/Cl)C1 830461668 583067299 /nfs/dbraw/zinc/06/72/99/583067299.db2.gz COJRVKSCZLHOKK-RCYFRSRISA-N 1 2 163.623 1.783 10 0 ADAELO F[C@@H]1CC[N@@H+](C/C=C/Cl)C1 830461668 583067301 /nfs/dbraw/zinc/06/73/01/583067301.db2.gz COJRVKSCZLHOKK-RCYFRSRISA-N 1 2 163.623 1.783 10 0 ADAELO F[C@@H]1CC[N@H+](C/C=C\Cl)C1 830461667 583067836 /nfs/dbraw/zinc/06/78/36/583067836.db2.gz COJRVKSCZLHOKK-BYXPXVBTSA-N 1 2 163.623 1.783 10 0 ADAELO F[C@@H]1CC[N@@H+](C/C=C\Cl)C1 830461667 583067837 /nfs/dbraw/zinc/06/78/37/583067837.db2.gz COJRVKSCZLHOKK-BYXPXVBTSA-N 1 2 163.623 1.783 10 0 ADAELO FC[C@@H]1C[N@H+](Cc2ccoc2)CCO1 840954056 583111237 /nfs/dbraw/zinc/11/12/37/583111237.db2.gz FXLHHBRREGBEHK-SNVBAGLBSA-N 1 2 199.225 1.450 10 0 ADAELO FC[C@@H]1C[N@@H+](Cc2ccoc2)CCO1 840954056 583111238 /nfs/dbraw/zinc/11/12/38/583111238.db2.gz FXLHHBRREGBEHK-SNVBAGLBSA-N 1 2 199.225 1.450 10 0 ADAELO FC[C@H]1C[N@H+](Cc2ccoc2)CCO1 840954051 583111307 /nfs/dbraw/zinc/11/13/07/583111307.db2.gz FXLHHBRREGBEHK-JTQLQIEISA-N 1 2 199.225 1.450 10 0 ADAELO FC[C@H]1C[N@@H+](Cc2ccoc2)CCO1 840954051 583111312 /nfs/dbraw/zinc/11/13/12/583111312.db2.gz FXLHHBRREGBEHK-JTQLQIEISA-N 1 2 199.225 1.450 10 0 ADAELO Cc1cc(NC(=O)C2(F)CC2)cc[nH+]1 843571201 583134495 /nfs/dbraw/zinc/13/44/95/583134495.db2.gz OUUJEYFIOCWTSI-UHFFFAOYSA-N 1 2 194.209 1.253 10 0 ADAELO FC1(F)[C@@H]2C[N@@H+](Cc3cc[nH]n3)C[C@@H]21 844460169 583142908 /nfs/dbraw/zinc/14/29/08/583142908.db2.gz DGSRZSHXNTZTKQ-OCAPTIKFSA-N 1 2 199.204 1.107 10 0 ADAELO FC1(F)[C@@H]2C[N@H+](Cc3cc[nH]n3)C[C@@H]21 844460169 583142911 /nfs/dbraw/zinc/14/29/11/583142911.db2.gz DGSRZSHXNTZTKQ-OCAPTIKFSA-N 1 2 199.204 1.107 10 0 ADAELO FC1(F)[C@@H]2CN(c3cccc[nH+]3)C[C@@H]21 845750864 583151623 /nfs/dbraw/zinc/15/16/23/583151623.db2.gz BPOBMXCUANPDGE-OCAPTIKFSA-N 1 2 196.200 1.783 10 0 ADAELO CC1(C)CCC[N@@H+]1Cc1cnsn1 846796702 583160314 /nfs/dbraw/zinc/16/03/14/583160314.db2.gz LONZXWKXWJGFKW-UHFFFAOYSA-N 1 2 197.307 1.913 10 0 ADAELO CC1(C)CCC[N@H+]1Cc1cnsn1 846796702 583160318 /nfs/dbraw/zinc/16/03/18/583160318.db2.gz LONZXWKXWJGFKW-UHFFFAOYSA-N 1 2 197.307 1.913 10 0 ADAELO C[C@@H](NC(=O)C1(F)CC1)c1[nH]cc[nH+]1 848386519 583167402 /nfs/dbraw/zinc/16/74/02/583167402.db2.gz QJFWINNRZRXHCB-ZCFIWIBFSA-N 1 2 197.213 1.089 10 0 ADAELO CC1C[NH+](Cc2cnc(Cl)n2C)C1 848907555 583170750 /nfs/dbraw/zinc/17/07/50/583170750.db2.gz FRGUFTWCZITDLT-UHFFFAOYSA-N 1 2 199.685 1.525 10 0 ADAELO COCC[N@H+](C)CC=C(Cl)Cl 851732973 583190971 /nfs/dbraw/zinc/19/09/71/583190971.db2.gz GAHWGNQXGAMXCR-UHFFFAOYSA-N 1 2 198.093 1.884 10 0 ADAELO COCC[N@@H+](C)CC=C(Cl)Cl 851732973 583190972 /nfs/dbraw/zinc/19/09/72/583190972.db2.gz GAHWGNQXGAMXCR-UHFFFAOYSA-N 1 2 198.093 1.884 10 0 ADAELO FC(F)OCCn1cc[nH+]c1 851821579 583196644 /nfs/dbraw/zinc/19/66/44/583196644.db2.gz YMSVDFHVDCDZEA-UHFFFAOYSA-N 1 2 162.139 1.122 10 0 ADAELO c1snnc1C[N@@H+]1CC[C@H]2C[C@H]21 851877716 583197320 /nfs/dbraw/zinc/19/73/20/583197320.db2.gz PUGUCYZKIWZSDW-POYBYMJQSA-N 1 2 181.264 1.132 10 0 ADAELO c1snnc1C[N@H+]1CC[C@H]2C[C@H]21 851877716 583197324 /nfs/dbraw/zinc/19/73/24/583197324.db2.gz PUGUCYZKIWZSDW-POYBYMJQSA-N 1 2 181.264 1.132 10 0 ADAELO c1nonc1C[N@@H+]1CCCSCC1 851872472 583197539 /nfs/dbraw/zinc/19/75/39/583197539.db2.gz DMYFFUYIRFYUCT-UHFFFAOYSA-N 1 2 199.279 1.009 10 0 ADAELO c1nonc1C[N@H+]1CCCSCC1 851872472 583197541 /nfs/dbraw/zinc/19/75/41/583197541.db2.gz DMYFFUYIRFYUCT-UHFFFAOYSA-N 1 2 199.279 1.009 10 0 ADAELO c1snnc1C[N@@H+]1CC[C@@H]2C[C@@H]21 851877717 583197835 /nfs/dbraw/zinc/19/78/35/583197835.db2.gz PUGUCYZKIWZSDW-SVRRBLITSA-N 1 2 181.264 1.132 10 0 ADAELO c1snnc1C[N@H+]1CC[C@@H]2C[C@@H]21 851877717 583197837 /nfs/dbraw/zinc/19/78/37/583197837.db2.gz PUGUCYZKIWZSDW-SVRRBLITSA-N 1 2 181.264 1.132 10 0 ADAELO FC1=CCC[N@@H+](CCOC(F)F)C1 851890135 583199334 /nfs/dbraw/zinc/19/93/34/583199334.db2.gz MBDKIFUJGBZUIK-UHFFFAOYSA-N 1 2 195.184 1.785 10 0 ADAELO FC1=CCC[N@H+](CCOC(F)F)C1 851890135 583199335 /nfs/dbraw/zinc/19/93/35/583199335.db2.gz MBDKIFUJGBZUIK-UHFFFAOYSA-N 1 2 195.184 1.785 10 0 ADAELO CCn1ncc(C[N@H+]2C[C@@H](C)[C@@H]2C)n1 852092654 583203860 /nfs/dbraw/zinc/20/38/60/583203860.db2.gz XIZKGPSMFJVJOM-BDAKNGLRSA-N 1 2 194.282 1.138 10 0 ADAELO CC1=CCC[N@H+](Cc2cnon2)C1 852006621 583202754 /nfs/dbraw/zinc/20/27/54/583202754.db2.gz BTVLIYVNTMXGFW-UHFFFAOYSA-N 1 2 179.223 1.222 10 0 ADAELO CC1=CCC[N@@H+](Cc2cnon2)C1 852006621 583202756 /nfs/dbraw/zinc/20/27/56/583202756.db2.gz BTVLIYVNTMXGFW-UHFFFAOYSA-N 1 2 179.223 1.222 10 0 ADAELO CCn1ncc(C[N@@H+]2C[C@H](C)[C@H]2C)n1 852092655 583203434 /nfs/dbraw/zinc/20/34/34/583203434.db2.gz XIZKGPSMFJVJOM-DTWKUNHWSA-N 1 2 194.282 1.138 10 0 ADAELO CCn1ncc(C[N@H+]2C[C@H](C)[C@H]2C)n1 852092655 583203438 /nfs/dbraw/zinc/20/34/38/583203438.db2.gz XIZKGPSMFJVJOM-DTWKUNHWSA-N 1 2 194.282 1.138 10 0 ADAELO CCn1ncc(C[N@@H+]2C[C@H](C)[C@@H]2C)n1 852092656 583203535 /nfs/dbraw/zinc/20/35/35/583203535.db2.gz XIZKGPSMFJVJOM-IUCAKERBSA-N 1 2 194.282 1.138 10 0 ADAELO CCn1ncc(C[N@H+]2C[C@H](C)[C@@H]2C)n1 852092656 583203536 /nfs/dbraw/zinc/20/35/36/583203536.db2.gz XIZKGPSMFJVJOM-IUCAKERBSA-N 1 2 194.282 1.138 10 0 ADAELO CCn1ncc(C[N@@H+]2C[C@@H](C)[C@@H]2C)n1 852092654 583203858 /nfs/dbraw/zinc/20/38/58/583203858.db2.gz XIZKGPSMFJVJOM-BDAKNGLRSA-N 1 2 194.282 1.138 10 0 ADAELO CCn1ncc(C[N@@H+]2C[C@@H](C)[C@H]2C)n1 852092657 583203964 /nfs/dbraw/zinc/20/39/64/583203964.db2.gz 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C[C@]1(C2CC2)C[N@@H+](CCF)CCO1 852322872 583206445 /nfs/dbraw/zinc/20/64/45/583206445.db2.gz RWPTZXJEDIFSMH-SNVBAGLBSA-N 1 2 187.258 1.457 10 0 ADAELO CC12CC(C[N@@H+]1Cc1cnsn1)C2 852786960 583212411 /nfs/dbraw/zinc/21/24/11/583212411.db2.gz QLZBUBZESMJKFM-UHFFFAOYSA-N 1 2 195.291 1.522 10 0 ADAELO CC12CC(C[N@H+]1Cc1cnsn1)C2 852786960 583212412 /nfs/dbraw/zinc/21/24/12/583212412.db2.gz QLZBUBZESMJKFM-UHFFFAOYSA-N 1 2 195.291 1.522 10 0 ADAELO CO[C@H](C)C(N)=[NH+]O[C@H](C)C(C)C 853674137 583228478 /nfs/dbraw/zinc/22/84/78/583228478.db2.gz SIVIJBMOWYTWHN-HTQZYQBOSA-N 1 2 188.271 1.564 10 0 ADAELO CO[C@@H](C)C(N)=[NH+]O[C@@H](C)C(C)C 853674140 583228574 /nfs/dbraw/zinc/22/85/74/583228574.db2.gz SIVIJBMOWYTWHN-YUMQZZPRSA-N 1 2 188.271 1.564 10 0 ADAELO CO[C@@H](C)C(N)=[NH+]O[C@H](C)C(C)C 853674139 583228617 /nfs/dbraw/zinc/22/86/17/583228617.db2.gz SIVIJBMOWYTWHN-SFYZADRCSA-N 1 2 188.271 1.564 10 0 ADAELO CO[C@H](C)C(N)=[NH+]O[C@@H](C)C(C)C 853674138 583228783 /nfs/dbraw/zinc/22/87/83/583228783.db2.gz SIVIJBMOWYTWHN-JGVFFNPUSA-N 1 2 188.271 1.564 10 0 ADAELO Cn1cc(C[NH2+]CCF)c(Cl)n1 857040952 583260221 /nfs/dbraw/zinc/26/02/21/583260221.db2.gz DNXAWGODTXBMGD-UHFFFAOYSA-N 1 2 191.637 1.133 10 0 ADAELO CCCC(=O)N[C@H]1CCn2c[nH+]cc21 857991273 583266926 /nfs/dbraw/zinc/26/69/26/583266926.db2.gz WORDCZLMGGLIRN-QMMMGPOBSA-N 1 2 193.250 1.244 10 0 ADAELO CC1C[NH+](Cc2cn(C)nc2Cl)C1 857042575 583260793 /nfs/dbraw/zinc/26/07/93/583260793.db2.gz QRTHCJDOTBJCKH-UHFFFAOYSA-N 1 2 199.685 1.525 10 0 ADAELO CC(C)C(=O)N[C@H]1CCn2c[nH+]cc21 857989823 583266473 /nfs/dbraw/zinc/26/64/73/583266473.db2.gz LEHZAWBSKKGGST-QMMMGPOBSA-N 1 2 193.250 1.100 10 0 ADAELO CC(C)C(=O)N[C@@H]1CCn2c[nH+]cc21 857989822 583266484 /nfs/dbraw/zinc/26/64/84/583266484.db2.gz LEHZAWBSKKGGST-MRVPVSSYSA-N 1 2 193.250 1.100 10 0 ADAELO C/C=C\C(=O)N[C@@H]1CCn2c[nH+]cc21 857992346 583266548 /nfs/dbraw/zinc/26/65/48/583266548.db2.gz VUGFMDWIVTYEND-YAJNLLPGSA-N 1 2 191.234 1.020 10 0 ADAELO CCCC(=O)N[C@@H]1CCn2c[nH+]cc21 857991272 583266613 /nfs/dbraw/zinc/26/66/13/583266613.db2.gz WORDCZLMGGLIRN-MRVPVSSYSA-N 1 2 193.250 1.244 10 0 ADAELO C/C=C\C(=O)N[C@H]1CCn2c[nH+]cc21 857992343 583266624 /nfs/dbraw/zinc/26/66/24/583266624.db2.gz VUGFMDWIVTYEND-KZUAUGPASA-N 1 2 191.234 1.020 10 0 ADAELO C/C=C/C(=O)N[C@H]1CCn2c[nH+]cc21 857992344 583266717 /nfs/dbraw/zinc/26/67/17/583266717.db2.gz VUGFMDWIVTYEND-SGJFDWMWSA-N 1 2 191.234 1.020 10 0 ADAELO C/C=C/C(=O)N[C@@H]1CCn2c[nH+]cc21 857992345 583267324 /nfs/dbraw/zinc/26/73/24/583267324.db2.gz VUGFMDWIVTYEND-UFUPEUMYSA-N 1 2 191.234 1.020 10 0 ADAELO Fc1cc(C[N@H+]2CC[C@@H](F)C2)ccn1 859321756 583279289 /nfs/dbraw/zinc/27/92/89/583279289.db2.gz SOOQCGFLCSFOFU-SECBINFHSA-N 1 2 198.216 1.765 10 0 ADAELO Fc1cc(C[N@@H+]2CC[C@@H](F)C2)ccn1 859321756 583279291 /nfs/dbraw/zinc/27/92/91/583279291.db2.gz SOOQCGFLCSFOFU-SECBINFHSA-N 1 2 198.216 1.765 10 0 ADAELO Cn1nc(C[N@H+](C)C2CC2)cc1Cl 859076084 583276136 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FCC[C@H]1C[N@@H+](CCF)CCO1 859905175 583281651 /nfs/dbraw/zinc/28/16/51/583281651.db2.gz DSKYKMAXKZZYPZ-QMMMGPOBSA-N 1 2 179.210 1.016 10 0 ADAELO Oc1cccc2c1CC[N@H+](CCF)C2 859946297 583282524 /nfs/dbraw/zinc/28/25/24/583282524.db2.gz HZUXMQOARZGTAH-UHFFFAOYSA-N 1 2 195.237 1.720 10 0 ADAELO Oc1cccc2c1CC[N@@H+](CCF)C2 859946297 583282525 /nfs/dbraw/zinc/28/25/25/583282525.db2.gz HZUXMQOARZGTAH-UHFFFAOYSA-N 1 2 195.237 1.720 10 0 ADAELO CC(C)COC(=O)[C@H](C)[NH2+]C(C)C 201448536 583284557 /nfs/dbraw/zinc/28/45/57/583284557.db2.gz GANWJJCPVDEVPW-VIFPVBQESA-N 1 2 187.283 1.572 10 0 ADAELO Cc1c[nH]c(C[NH+]2CC(C)C2)n1 862351521 583297745 /nfs/dbraw/zinc/29/77/45/583297745.db2.gz PFUTUUNNZHDYET-UHFFFAOYSA-N 1 2 165.240 1.170 10 0 ADAELO Cc1nc(C[NH+]2CC(C)C2)[nH]c1C 862351328 583298418 /nfs/dbraw/zinc/29/84/18/583298418.db2.gz MTRHGGDJAMGVDB-UHFFFAOYSA-N 1 2 179.267 1.478 10 0 ADAELO Cc1[nH]c(CN2CC(C)C2)[nH+]c1C 862351328 583298420 /nfs/dbraw/zinc/29/84/20/583298420.db2.gz 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77260129 167088327 /nfs/dbraw/zinc/08/83/27/167088327.db2.gz PYTQGLFRKJPKFV-ZETCQYMHSA-N 1 2 128.219 1.125 10 0 ADAELO CCC[C@H]1CCCCN1[NH3+] 60190574 167089288 /nfs/dbraw/zinc/08/92/88/167089288.db2.gz BXNWIUSURQXQMR-QMMMGPOBSA-N 1 2 142.246 1.515 10 0 ADAELO CCc1[nH+]c(CO)c2n1CCCC2 134095850 343933615 /nfs/dbraw/zinc/93/36/15/343933615.db2.gz PUCAUMYGZFWFBO-UHFFFAOYSA-N 1 2 180.251 1.274 10 0 ADAELO CCC[C@](C)([NH3+])c1n[nH]c(C(C)C)n1 41058472 167093943 /nfs/dbraw/zinc/09/39/43/167093943.db2.gz YFZJBRWNYZSESA-JTQLQIEISA-N 1 2 196.298 1.902 10 0 ADAELO CCC[C@](C)([NH3+])c1n[nH]c(C2CC2)n1 41058690 167094061 /nfs/dbraw/zinc/09/40/61/167094061.db2.gz XSYWJDORKUVDKR-JTQLQIEISA-N 1 2 194.282 1.656 10 0 ADAELO CCCc1[nH]c(C)[nH+]c1C=O 75539586 167096605 /nfs/dbraw/zinc/09/66/05/167096605.db2.gz QSVMCPGPKGUDSS-UHFFFAOYSA-N 1 2 152.197 1.483 10 0 ADAELO CCCc1cc(NCC)nc[nH+]1 40765531 167098359 /nfs/dbraw/zinc/09/83/59/167098359.db2.gz UGLVLCQTCSNMNJ-UHFFFAOYSA-N 1 2 165.240 1.861 10 0 ADAELO CCCc1cc(N[C@@H](C)CO)nc[nH+]1 40765620 167098666 /nfs/dbraw/zinc/09/86/66/167098666.db2.gz ROMWXXBEKFNATL-QMMMGPOBSA-N 1 2 195.266 1.222 10 0 ADAELO CC(C)=CC[N@@H+]1CCCC(=O)C1 134149378 343935057 /nfs/dbraw/zinc/93/50/57/343935057.db2.gz HNWKUMNXSQCJLD-UHFFFAOYSA-N 1 2 167.252 1.618 10 0 ADAELO CCCc1cc(NCCOC)nc[nH+]1 40765522 167100082 /nfs/dbraw/zinc/10/00/82/167100082.db2.gz AAEMOPROYIPIJD-UHFFFAOYSA-N 1 2 195.266 1.487 10 0 ADAELO CCCc1cc(N[C@H](C)CO)nc[nH+]1 40765621 167100251 /nfs/dbraw/zinc/10/02/51/167100251.db2.gz ROMWXXBEKFNATL-MRVPVSSYSA-N 1 2 195.266 1.222 10 0 ADAELO CCCc1cc(NC)nc[nH+]1 40765529 167100259 /nfs/dbraw/zinc/10/02/59/167100259.db2.gz XCGBHELHOJUHSM-UHFFFAOYSA-N 1 2 151.213 1.471 10 0 ADAELO CCCc1c(CO)c[nH+]c(C)c1O 206031647 167100929 /nfs/dbraw/zinc/10/09/29/167100929.db2.gz MACSYMBQRHUJDO-UHFFFAOYSA-N 1 2 181.235 1.540 10 0 ADAELO CCCc1cc(N)nc(CCOC)[nH+]1 50845844 167100970 /nfs/dbraw/zinc/10/09/70/167100970.db2.gz IBNWXPAEDNLPBU-UHFFFAOYSA-N 1 2 195.266 1.200 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166.224 1.660 10 0 ADAELO CCOCc1cc[nH+]c(N)c1 52734254 167399260 /nfs/dbraw/zinc/39/92/60/167399260.db2.gz BRITXHIHCPQUHY-UHFFFAOYSA-N 1 2 152.197 1.200 10 0 ADAELO CCOCc1[nH]c2ccc(N)cc2[nH+]1 20252610 167399409 /nfs/dbraw/zinc/39/94/09/167399409.db2.gz GJLXXJAPVAKOSU-UHFFFAOYSA-N 1 2 191.234 1.682 10 0 ADAELO CCOc1cc(N)c[nH+]c1NC1CC1 76982956 167414882 /nfs/dbraw/zinc/41/48/82/167414882.db2.gz BKCOAEIWAXDXFE-UHFFFAOYSA-N 1 2 193.250 1.637 10 0 ADAELO CC[C@@H](C)Oc1cc[nH+]c(CO)c1 40884168 167483096 /nfs/dbraw/zinc/48/30/96/167483096.db2.gz QTOTWKKGMPIJTJ-MRVPVSSYSA-N 1 2 181.235 1.751 10 0 ADAELO CC[NH2+]c1ccc(N)cc1F 34957400 167311162 /nfs/dbraw/zinc/31/11/62/167311162.db2.gz ROESNKSJVRBVFG-UHFFFAOYSA-N 1 2 154.188 1.840 10 0 ADAELO CC[C@@H](O)c1c[nH+]c2ccc(F)cn12 82694625 167540734 /nfs/dbraw/zinc/54/07/34/167540734.db2.gz CQMWJZZFOUWRNZ-SECBINFHSA-N 1 2 194.209 1.917 10 0 ADAELO CC[C@@H]1COC(=O)[C@](C)(CC)[NH2+]1 58425261 167566878 /nfs/dbraw/zinc/56/68/78/167566878.db2.gz 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164.252 1.343 10 0 ADAELO C[NH2+]Cc1noc(CCC(C)C)n1 51848737 168025446 /nfs/dbraw/zinc/02/54/46/168025446.db2.gz ILEJYNRDKJEEKK-UHFFFAOYSA-N 1 2 183.255 1.378 10 0 ADAELO C[NH2+]Cc1noc([C@H]2CCCCO2)n1 51848423 168025788 /nfs/dbraw/zinc/02/57/88/168025788.db2.gz QBVGFRLNKJQGKA-SSDOTTSWSA-N 1 2 197.238 1.031 10 0 ADAELO C[NH2+]Cc1noc([C@@H]2CCCCO2)n1 51848421 168026252 /nfs/dbraw/zinc/02/62/52/168026252.db2.gz QBVGFRLNKJQGKA-ZETCQYMHSA-N 1 2 197.238 1.031 10 0 ADAELO C[NH2+]Cc1noc(CC2CCCC2)n1 51848484 168026315 /nfs/dbraw/zinc/02/63/15/168026315.db2.gz SIQMCGJXBCKWSZ-UHFFFAOYSA-N 1 2 195.266 1.522 10 0 ADAELO C[NH2+]Cc1noc(CC(C)(C)C)n1 51848490 168026347 /nfs/dbraw/zinc/02/63/47/168026347.db2.gz NVYCANSEGHKILM-UHFFFAOYSA-N 1 2 183.255 1.378 10 0 ADAELO C[NH2+]N(C)c1ccccc1 5996451 168026534 /nfs/dbraw/zinc/02/65/34/168026534.db2.gz FTHKWZHJHBZURR-UHFFFAOYSA-N 1 2 136.198 1.257 10 0 ADAELO C[NH2+][C@@H](C)C(=O)OC1CCCCC1 54070861 168029420 /nfs/dbraw/zinc/02/94/20/168029420.db2.gz 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CNc1[nH]c2cc3nc[nH]c3cc2[nH+]1 44787262 168071677 /nfs/dbraw/zinc/07/16/77/168071677.db2.gz OHLZGBBPNOQMTO-UHFFFAOYSA-N 1 2 187.206 1.481 10 0 ADAELO CNc1[nH+]cccc1Cn1ccnc1 52732295 168072079 /nfs/dbraw/zinc/07/20/79/168072079.db2.gz QUGYKZGWGBIRNF-UHFFFAOYSA-N 1 2 188.234 1.368 10 0 ADAELO CNc1nc(NC)[nH+]c(C(C)C)n1 2013043 168072101 /nfs/dbraw/zinc/07/21/01/168072101.db2.gz KIOFNIGALRXFPM-UHFFFAOYSA-N 1 2 181.243 1.078 10 0 ADAELO CNc1nc2ccccc2n2c[nH+]cc12 40980959 168072104 /nfs/dbraw/zinc/07/21/04/168072104.db2.gz NPLBOXFTSKQSJW-UHFFFAOYSA-N 1 2 198.229 1.924 10 0 ADAELO CNc1[nH+]cc(OC2CC2)cc1N 95730051 168072134 /nfs/dbraw/zinc/07/21/34/168072134.db2.gz CJMMSWNITZSTOA-UHFFFAOYSA-N 1 2 179.223 1.247 10 0 ADAELO CNc1[nH+]c2c(O)ccc(O)c2n1C 95924415 168072141 /nfs/dbraw/zinc/07/21/41/168072141.db2.gz RYWOEDAVTCGDIK-UHFFFAOYSA-N 1 2 193.206 1.026 10 0 ADAELO CNc1[nH+]cccc1Cn1cccn1 52732237 168072144 /nfs/dbraw/zinc/07/21/44/168072144.db2.gz VVKCSSPRHLKHDP-UHFFFAOYSA-N 1 2 188.234 1.368 10 0 ADAELO CNc1[nH+]ccc2c(N)cc(F)cc12 82754114 168072190 /nfs/dbraw/zinc/07/21/90/168072190.db2.gz BPWYKXNLARORRG-UHFFFAOYSA-N 1 2 191.209 1.998 10 0 ADAELO CNc1[nH+]cc(N)cc1OC1CC1 95729266 168072195 /nfs/dbraw/zinc/07/21/95/168072195.db2.gz WAYGFJHNHGXKCK-UHFFFAOYSA-N 1 2 179.223 1.247 10 0 ADAELO CNc1nc(NC)c2ccccc2[nH+]1 83823771 168072264 /nfs/dbraw/zinc/07/22/64/168072264.db2.gz XJUCGWWSJQVXTB-UHFFFAOYSA-N 1 2 188.234 1.713 10 0 ADAELO CNc1[nH+]c2ccccc2n1COC 75416128 168072349 /nfs/dbraw/zinc/07/23/49/168072349.db2.gz GRDLIQPRPLYVTG-UHFFFAOYSA-N 1 2 191.234 1.682 10 0 ADAELO CNc1[nH]c2cc(F)ccc2[nH+]1 96300697 168072356 /nfs/dbraw/zinc/07/23/56/168072356.db2.gz FTMWWKJQYUELFV-UHFFFAOYSA-N 1 2 165.171 1.744 10 0 in-vitro ADAELO CNc1[nH+]cc(C)cc1OC1CC1 95728134 168072488 /nfs/dbraw/zinc/07/24/88/168072488.db2.gz UDSXRWRZBQAGGG-UHFFFAOYSA-N 1 2 178.235 1.973 10 0 ADAELO CNc1[nH+]ccc2c(N)ccc(F)c12 82765593 168072525 /nfs/dbraw/zinc/07/25/25/168072525.db2.gz XBKTXXMCJUKNQF-UHFFFAOYSA-N 1 2 191.209 1.998 10 0 ADAELO CNc1[nH+]cccc1CSC 52756505 168072653 /nfs/dbraw/zinc/07/26/53/168072653.db2.gz LBMDPQSLKDEMAT-UHFFFAOYSA-N 1 2 168.265 1.986 10 0 ADAELO CNc1[nH+]ccc(F)c1OC1CC1 95730097 168072722 /nfs/dbraw/zinc/07/27/22/168072722.db2.gz YIOJARFYQMBVMU-UHFFFAOYSA-N 1 2 182.198 1.804 10 0 ADAELO CNc1[nH]c2cc(OC)ccc2[nH+]1 82739799 168072860 /nfs/dbraw/zinc/07/28/60/168072860.db2.gz VIUYXXZFJICSNV-UHFFFAOYSA-N 1 2 177.207 1.613 10 0 ADAELO CNc1[nH+]cc(OC2CC2)cc1C 95729349 168072964 /nfs/dbraw/zinc/07/29/64/168072964.db2.gz XOPORWCCQTUYAQ-UHFFFAOYSA-N 1 2 178.235 1.973 10 0 ADAELO CNc1nc[nH+]c(C)c1C 39053147 168073140 /nfs/dbraw/zinc/07/31/40/168073140.db2.gz DPALXMARPIMVEJ-UHFFFAOYSA-N 1 2 137.186 1.135 10 0 ADAELO CNc1[nH+]cnc2c1cnn2C(C)C 62367291 168073357 /nfs/dbraw/zinc/07/33/57/168073357.db2.gz FIWSHZBWOKHKQA-UHFFFAOYSA-N 1 2 191.238 1.449 10 0 ADAELO CNc1snnc1C[NH+]1CCCC1 50792173 168074357 /nfs/dbraw/zinc/07/43/57/168074357.db2.gz ZDNYBKUJOBCCNU-UHFFFAOYSA-N 1 2 198.295 1.176 10 0 ADAELO COC(=[NH2+])Cc1ccc(F)cc1 5179897 168076166 /nfs/dbraw/zinc/07/61/66/168076166.db2.gz PVXCPVHHMBWLKY-UHFFFAOYSA-N 1 2 167.183 1.992 10 0 ADAELO COC(=[NH2+])c1ccc2c(c1)CCCO2 77276000 168076210 /nfs/dbraw/zinc/07/62/10/168076210.db2.gz PUYKBYHTXDUHGB-UHFFFAOYSA-N 1 2 191.230 1.983 10 0 ADAELO COC(=[NH2+])c1ccc(OC)c(O)c1 37928054 168076229 /nfs/dbraw/zinc/07/62/29/168076229.db2.gz TXIHFRYHZCGMKP-UHFFFAOYSA-N 1 2 181.191 1.373 10 0 ADAELO COC(=[NH2+])Cc1ccccn1 37927970 168076240 /nfs/dbraw/zinc/07/62/40/168076240.db2.gz RPZQMCYNPVRJHI-UHFFFAOYSA-N 1 2 150.181 1.248 10 0 ADAELO COC(=[NH2+])c1ccc2c(c1)ncn2C 77274546 168076306 /nfs/dbraw/zinc/07/63/06/168076306.db2.gz DMDRHUJTDBEMPW-UHFFFAOYSA-N 1 2 189.218 1.545 10 0 ADAELO COC(=[NH2+])c1cc(OC)cc(OC)c1 37928047 168076311 /nfs/dbraw/zinc/07/63/11/168076311.db2.gz KHSWGQIHHZOSIM-UHFFFAOYSA-N 1 2 195.218 1.676 10 0 ADAELO COC(=[NH2+])c1cc(C)ccc1OC 77267448 168076364 /nfs/dbraw/zinc/07/63/64/168076364.db2.gz DZFCLKDGJLBUFO-UHFFFAOYSA-N 1 2 179.219 1.975 10 0 ADAELO COC(=[NH2+])c1cccc(O)c1 5064283 168076401 /nfs/dbraw/zinc/07/64/01/168076401.db2.gz WBWKXPHEWOZSJP-UHFFFAOYSA-N 1 2 151.165 1.364 10 0 ADAELO COC(=[NH2+])c1ccc(OC)cc1 37859071 168076411 /nfs/dbraw/zinc/07/64/11/168076411.db2.gz JPCHJRKCOOXHTP-UHFFFAOYSA-N 1 2 165.192 1.667 10 0 ADAELO COC(=[NH2+])c1ccc2[nH]c(=O)oc2c1 77276692 168076472 /nfs/dbraw/zinc/07/64/72/168076472.db2.gz HOQIADHAPYCCBX-UHFFFAOYSA-N 1 2 192.174 1.093 10 0 ADAELO COC(=[NH2+])c1ccc2oc(=O)[nH]c2c1 77276695 168076551 /nfs/dbraw/zinc/07/65/51/168076551.db2.gz LNLBGHXHUNKFHI-UHFFFAOYSA-N 1 2 192.174 1.093 10 0 ADAELO COC(=[NH2+])c1cccc(OCCO)c1 39090541 168076580 /nfs/dbraw/zinc/07/65/80/168076580.db2.gz JIEYFPTUXXQLNR-UHFFFAOYSA-N 1 2 195.218 1.029 10 0 ADAELO COC(=[NH2+])c1ccc2c(c1)OCCO2 37928103 168076607 /nfs/dbraw/zinc/07/66/07/168076607.db2.gz IDCZKLDUBBBJFA-UHFFFAOYSA-N 1 2 193.202 1.430 10 0 ADAELO COC(=[NH2+])c1cccc(OC)c1 34493265 168076749 /nfs/dbraw/zinc/07/67/49/168076749.db2.gz USGDZAKLTVMRNL-UHFFFAOYSA-N 1 2 165.192 1.667 10 0 ADAELO COC(=[NH2+])c1ccc(O)c(OC)c1 37927976 168076859 /nfs/dbraw/zinc/07/68/59/168076859.db2.gz PTKOSNOPVOEPCO-UHFFFAOYSA-N 1 2 181.191 1.373 10 0 ADAELO COC(=[NH2+])c1ccc2[nH]c(C)nc2c1 77274543 168076869 /nfs/dbraw/zinc/07/68/69/168076869.db2.gz ISVXTXTWLZAUJT-UHFFFAOYSA-N 1 2 189.218 1.843 10 0 ADAELO COC(=[NH2+])Cc1ccc(O)cc1 37927966 168076883 /nfs/dbraw/zinc/07/68/83/168076883.db2.gz MGMOWRVFZGNNDR-UHFFFAOYSA-N 1 2 165.192 1.558 10 0 ADAELO COC(=[NH2+])Cc1cccc(F)c1 40677637 168076916 /nfs/dbraw/zinc/07/69/16/168076916.db2.gz YLLQIXJIWZUOSD-UHFFFAOYSA-N 1 2 167.183 1.992 10 0 ADAELO COC(=[NH2+])c1ccc2[nH]cnc2c1 77265709 168076945 /nfs/dbraw/zinc/07/69/45/168076945.db2.gz JOPRZSYTDIXRLY-UHFFFAOYSA-N 1 2 175.191 1.535 10 0 ADAELO COC(=[NH2+])Cc1ccccc1OC 40907428 168076953 /nfs/dbraw/zinc/07/69/53/168076953.db2.gz BENFOADLJFREAG-UHFFFAOYSA-N 1 2 179.219 1.861 10 0 ADAELO COC(=[NH2+])c1ccc2ncoc2c1 77266000 168077009 /nfs/dbraw/zinc/07/70/09/168077009.db2.gz XEODJLGZSANYOE-UHFFFAOYSA-N 1 2 176.175 1.800 10 0 ADAELO COC(=[NH2+])c1ccc2c(c1)CCO2 37928108 168077037 /nfs/dbraw/zinc/07/70/37/168077037.db2.gz DPVQYMPSHDPALD-UHFFFAOYSA-N 1 2 177.203 1.593 10 0 ADAELO COC(=[NH2+])c1ccccc1OC 37927986 168077150 /nfs/dbraw/zinc/07/71/50/168077150.db2.gz CBWBSOPONZTYPA-UHFFFAOYSA-N 1 2 165.192 1.667 10 0 ADAELO COC(=[NH2+])c1ccc(OCCO)cc1 39090501 168077190 /nfs/dbraw/zinc/07/71/90/168077190.db2.gz AWALLWPGCLUWRP-UHFFFAOYSA-N 1 2 195.218 1.029 10 0 ADAELO COC(=[NH2+])Cc1ccc2c(c1)OCO2 71506249 168077207 /nfs/dbraw/zinc/07/72/07/168077207.db2.gz VRFCQGDQJODOPX-UHFFFAOYSA-N 1 2 193.202 1.581 10 0 ADAELO COC(=[NH2+])Cc1ccc(OC)cc1 42390260 168077393 /nfs/dbraw/zinc/07/73/93/168077393.db2.gz YCSMCWNXTKCHHD-UHFFFAOYSA-N 1 2 179.219 1.861 10 0 ADAELO COC(=[NH2+])c1ccc(OC)cc1OC 37928062 168077455 /nfs/dbraw/zinc/07/74/55/168077455.db2.gz OZCMGFLXIZSFMI-UHFFFAOYSA-N 1 2 195.218 1.676 10 0 ADAELO COC(=[NH2+])Cc1ccccc1F 49671462 168077475 /nfs/dbraw/zinc/07/74/75/168077475.db2.gz CFOVUTMTASGBRZ-UHFFFAOYSA-N 1 2 167.183 1.992 10 0 ADAELO COC(=[NH2+])c1c(C)nn(C)c1C 37928097 168077500 /nfs/dbraw/zinc/07/75/00/168077500.db2.gz DPPAPZORUAHION-UHFFFAOYSA-N 1 2 167.212 1.009 10 0 ADAELO COC(=[NH2+])c1ccsc1 34497699 168077507 /nfs/dbraw/zinc/07/75/07/168077507.db2.gz PQJPXXNRGXRFPF-UHFFFAOYSA-N 1 2 141.195 1.720 10 0 ADAELO COC(=[NH2+])Cc1cccc(OC)c1 40907680 168077570 /nfs/dbraw/zinc/07/75/70/168077570.db2.gz SICDVDNOMLZIRQ-UHFFFAOYSA-N 1 2 179.219 1.861 10 0 ADAELO COC(=[NH2+])c1ccc(OC)c(OC)c1 37927992 168077575 /nfs/dbraw/zinc/07/75/75/168077575.db2.gz AEBLZIABAZACRI-UHFFFAOYSA-N 1 2 195.218 1.676 10 0 ADAELO COC(=[NH2+])c1ccc2c(c1)CC(=O)N2 77274906 168077589 /nfs/dbraw/zinc/07/75/89/168077589.db2.gz LNUSGNGOIKTGFO-UHFFFAOYSA-N 1 2 190.202 1.153 10 0 ADAELO COC(=O)C(C)(C)c1ccc(N)[nH+]c1 116907203 168081007 /nfs/dbraw/zinc/08/10/07/168081007.db2.gz GJVRXMKMTPUKQW-UHFFFAOYSA-N 1 2 194.234 1.114 10 0 ADAELO COC(=O)C1([NH2+]C2CC2)CCCC1 37459401 168081367 /nfs/dbraw/zinc/08/13/67/168081367.db2.gz HQQFVHWDGWQSJT-UHFFFAOYSA-N 1 2 183.251 1.224 10 0 ADAELO COC(=O)C1([NH2+]C(C)C)CCC1 52140255 168081868 /nfs/dbraw/zinc/08/18/68/168081868.db2.gz XIYJVSPHBDJQPC-UHFFFAOYSA-N 1 2 171.240 1.080 10 0 ADAELO COC(=O)C1([NH2+]C2CC2)CCCCC1 37459426 168082009 /nfs/dbraw/zinc/08/20/09/168082009.db2.gz LFLRVVOFNOLTQN-UHFFFAOYSA-N 1 2 197.278 1.614 10 0 ADAELO COC(=O)C=C1C=C[NH+](C)C=C1 5966071 168083990 /nfs/dbraw/zinc/08/39/90/168083990.db2.gz YLHYAULDARQGOT-UHFFFAOYSA-N 1 2 165.192 1.059 10 0 ADAELO COC(=O)CCN(C)c1cccc[nH+]1 50087438 168087301 /nfs/dbraw/zinc/08/73/01/168087301.db2.gz BFKYAGKTCJVJAN-UHFFFAOYSA-N 1 2 194.234 1.081 10 0 ADAELO COC(=O)C[NH2+]CCc1cccs1 20053053 168090732 /nfs/dbraw/zinc/09/07/32/168090732.db2.gz ZXMYWILLCWUBGN-UHFFFAOYSA-N 1 2 199.275 1.053 10 0 ADAELO COC(=O)C[NH2+]CCC1=CCCCC1 51756322 168091292 /nfs/dbraw/zinc/09/12/92/168091292.db2.gz XZNSYESKIXMEHZ-UHFFFAOYSA-N 1 2 197.278 1.640 10 0 ADAELO COC(=O)C[NH2+]CCC(C)(C)C 37488752 168091872 /nfs/dbraw/zinc/09/18/72/168091872.db2.gz TTYWHOHRCLAOHP-UHFFFAOYSA-N 1 2 173.256 1.185 10 0 ADAELO COC(=O)C[NH2+][C@H](C)CCC(C)C 19885683 168093090 /nfs/dbraw/zinc/09/30/90/168093090.db2.gz VIFZYBBXXNYVQC-SECBINFHSA-N 1 2 187.283 1.574 10 0 ADAELO COC(=O)C[NH2+][C@@H](C)CCC(C)C 19885681 168093150 /nfs/dbraw/zinc/09/31/50/168093150.db2.gz VIFZYBBXXNYVQC-VIFPVBQESA-N 1 2 187.283 1.574 10 0 ADAELO COC(=O)CNc1ccc([NH3+])cc1C 34978358 168093403 /nfs/dbraw/zinc/09/34/03/168093403.db2.gz BBBGCPNHTFNJDL-UHFFFAOYSA-N 1 2 194.234 1.162 10 0 ADAELO COC(=O)Cc1c(C)cc[nH+]c1C 95768140 168096707 /nfs/dbraw/zinc/09/67/07/168096707.db2.gz PAMANRBJVCCTJO-UHFFFAOYSA-N 1 2 179.219 1.414 10 0 ADAELO COC(=O)[C@@H](C)Nc1cc[nH+]cc1 35661049 168105543 /nfs/dbraw/zinc/10/55/43/168105543.db2.gz IDMLXWRRBQNSJD-SSDOTTSWSA-N 1 2 180.207 1.055 10 0 ADAELO COC(=O)[C@@H]([NH3+])c1cc(C)sc1C 49687675 168106752 /nfs/dbraw/zinc/10/67/52/168106752.db2.gz KZEKVUGKBSINPG-QMMMGPOBSA-N 1 2 199.275 1.538 10 0 ADAELO COC(=O)[C@@H]([NH3+])c1ccc(C)s1 41675825 168107917 /nfs/dbraw/zinc/10/79/17/168107917.db2.gz LXCAMJXJIQGVOA-ZETCQYMHSA-N 1 2 185.248 1.229 10 0 ADAELO COC(=O)[C@@H]([NH3+])c1sccc1C 41673751 168107937 /nfs/dbraw/zinc/10/79/37/168107937.db2.gz YENYKOHNUJZFLB-LURJTMIESA-N 1 2 185.248 1.229 10 0 ADAELO COC(=O)[C@@H]([NH3+])c1ccc(C)cc1C 37459768 168108399 /nfs/dbraw/zinc/10/83/99/168108399.db2.gz HZAGUTXLKMKMLZ-JTQLQIEISA-N 1 2 193.246 1.476 10 0 ADAELO COC(=O)[C@@H]1C[C@H](CC(C)C)CC[NH2+]1 39941323 168111708 /nfs/dbraw/zinc/11/17/08/168111708.db2.gz ZNQFAFDTEWAJMT-UWVGGRQHSA-N 1 2 199.294 1.574 10 0 ADAELO COC(=O)[C@@H]1C[C@@H](CC2CC2)CC[NH2+]1 39941329 168111856 /nfs/dbraw/zinc/11/18/56/168111856.db2.gz QONQPIMTSKHVDY-ZJUUUORDSA-N 1 2 197.278 1.328 10 0 ADAELO COC(=O)[C@@H]1C[C@H](CC2CC2)CC[NH2+]1 39941327 168111920 /nfs/dbraw/zinc/11/19/20/168111920.db2.gz QONQPIMTSKHVDY-UWVGGRQHSA-N 1 2 197.278 1.328 10 0 ADAELO COC(=O)[C@@H]1C[C@@H](C(C)C)CC[NH2+]1 39941320 168112052 /nfs/dbraw/zinc/11/20/52/168112052.db2.gz CLISOXVRHSPWNU-IUCAKERBSA-N 1 2 185.267 1.184 10 0 in-vitro ADAELO COC(=O)[C@@H]1C[C@@H](CC(C)C)CC[NH2+]1 39941324 168112271 /nfs/dbraw/zinc/11/22/71/168112271.db2.gz ZNQFAFDTEWAJMT-ZJUUUORDSA-N 1 2 199.294 1.574 10 0 ADAELO COC(=O)[C@@H]1C[C@H](C(C)C)CC[NH2+]1 39941319 168112712 /nfs/dbraw/zinc/11/27/12/168112712.db2.gz CLISOXVRHSPWNU-BDAKNGLRSA-N 1 2 185.267 1.184 10 0 in-vitro ADAELO COC(=O)[C@@](C)([NH3+])c1cccc(C)c1 41046840 168113273 /nfs/dbraw/zinc/11/32/73/168113273.db2.gz LPISNBCHEKWLMB-NSHDSACASA-N 1 2 193.246 1.342 10 0 ADAELO COC(=O)[C@@](C)([NH3+])c1ccc(C)cc1 37459687 168113443 /nfs/dbraw/zinc/11/34/43/168113443.db2.gz MHQPLXDZTXSHJU-NSHDSACASA-N 1 2 193.246 1.342 10 0 ADAELO COC(=O)[C@@](C)([NH3+])c1ccccc1F 37459715 168113543 /nfs/dbraw/zinc/11/35/43/168113543.db2.gz FVVLBKPONTUUBM-JTQLQIEISA-N 1 2 197.209 1.173 10 0 ADAELO COC(=O)[C@@](C)([NH2+]C1CC1)C(C)C 52883738 168113558 /nfs/dbraw/zinc/11/35/58/168113558.db2.gz FFSDRZNQWDTASD-JTQLQIEISA-N 1 2 185.267 1.326 10 0 ADAELO COC(=O)[C@@](C)([NH3+])c1cccs1 58520409 168113723 /nfs/dbraw/zinc/11/37/23/168113723.db2.gz HWOOBNCKWRDBJL-QMMMGPOBSA-N 1 2 185.248 1.095 10 0 ADAELO COC(=O)[C@@](C)([NH3+])c1cccc(F)c1 37459735 168114058 /nfs/dbraw/zinc/11/40/58/168114058.db2.gz HURAYGNNSWPRCA-JTQLQIEISA-N 1 2 197.209 1.173 10 0 ADAELO COC(=O)[C@@](C)([NH3+])c1ccccc1C 37459700 168114503 /nfs/dbraw/zinc/11/45/03/168114503.db2.gz IBXNDCSEDSDPRX-NSHDSACASA-N 1 2 193.246 1.342 10 0 ADAELO COC(=O)[C@H](C)Nc1cc[nH+]cc1 35661048 168117358 /nfs/dbraw/zinc/11/73/58/168117358.db2.gz IDMLXWRRBQNSJD-ZETCQYMHSA-N 1 2 180.207 1.055 10 0 ADAELO COC(=O)[C@H]([NH3+])c1ccc(C)s1 41675828 168118770 /nfs/dbraw/zinc/11/87/70/168118770.db2.gz LXCAMJXJIQGVOA-SSDOTTSWSA-N 1 2 185.248 1.229 10 0 ADAELO COC(=O)[C@H]([NH3+])c1cc(C)sc1C 49687676 168118806 /nfs/dbraw/zinc/11/88/06/168118806.db2.gz KZEKVUGKBSINPG-MRVPVSSYSA-N 1 2 199.275 1.538 10 0 ADAELO COC(=O)[C@H]([NH3+])c1ccc(C)cc1C 37459769 168119009 /nfs/dbraw/zinc/11/90/09/168119009.db2.gz HZAGUTXLKMKMLZ-SNVBAGLBSA-N 1 2 193.246 1.476 10 0 ADAELO COC(=O)[C@H]([NH3+])c1sccc1C 41673754 168121386 /nfs/dbraw/zinc/12/13/86/168121386.db2.gz YENYKOHNUJZFLB-ZCFIWIBFSA-N 1 2 185.248 1.229 10 0 ADAELO COC(=O)[C@H]1C[C@H](CC(C)C)CC[NH2+]1 39941325 168122374 /nfs/dbraw/zinc/12/23/74/168122374.db2.gz ZNQFAFDTEWAJMT-VHSXEESVSA-N 1 2 199.294 1.574 10 0 ADAELO COC(=O)[C@H]1C[C@@H](CC2CC2)CC[NH2+]1 39941330 168122750 /nfs/dbraw/zinc/12/27/50/168122750.db2.gz QONQPIMTSKHVDY-NXEZZACHSA-N 1 2 197.278 1.328 10 0 ADAELO COC(=O)[C@H]1C[C@H](C(C)C)CC[NH2+]1 39941321 168122815 /nfs/dbraw/zinc/12/28/15/168122815.db2.gz CLISOXVRHSPWNU-RKDXNWHRSA-N 1 2 185.267 1.184 10 0 in-vitro ADAELO COC(=O)[C@H]1C[C@@H](C(C)C)CC[NH2+]1 39941322 168122948 /nfs/dbraw/zinc/12/29/48/168122948.db2.gz CLISOXVRHSPWNU-DTWKUNHWSA-N 1 2 185.267 1.184 10 0 in-vitro ADAELO COC(=O)[C@H]1C[C@H](CC2CC2)CC[NH2+]1 39941328 168122979 /nfs/dbraw/zinc/12/29/79/168122979.db2.gz QONQPIMTSKHVDY-VHSXEESVSA-N 1 2 197.278 1.328 10 0 ADAELO COC(=O)[C@H]1C[C@@H](CC(C)C)CC[NH2+]1 39941326 168123346 /nfs/dbraw/zinc/12/33/46/168123346.db2.gz ZNQFAFDTEWAJMT-NXEZZACHSA-N 1 2 199.294 1.574 10 0 ADAELO COC(=O)[C@](C)([NH3+])c1cccc(C)c1 41046841 168123675 /nfs/dbraw/zinc/12/36/75/168123675.db2.gz LPISNBCHEKWLMB-LLVKDONJSA-N 1 2 193.246 1.342 10 0 ADAELO COC(=O)[C@](C)([NH3+])c1ccc(C)cc1 37459688 168123688 /nfs/dbraw/zinc/12/36/88/168123688.db2.gz MHQPLXDZTXSHJU-LLVKDONJSA-N 1 2 193.246 1.342 10 0 ADAELO COC(=O)[C@](C)([NH3+])c1cccc(F)c1 37459734 168123906 /nfs/dbraw/zinc/12/39/06/168123906.db2.gz HURAYGNNSWPRCA-SNVBAGLBSA-N 1 2 197.209 1.173 10 0 ADAELO COC(=O)[C@](C)([NH3+])c1ccccc1C 37459701 168123955 /nfs/dbraw/zinc/12/39/55/168123955.db2.gz IBXNDCSEDSDPRX-LLVKDONJSA-N 1 2 193.246 1.342 10 0 ADAELO COC(=O)[C@](C)([NH3+])c1cccs1 58520406 168124572 /nfs/dbraw/zinc/12/45/72/168124572.db2.gz HWOOBNCKWRDBJL-MRVPVSSYSA-N 1 2 185.248 1.095 10 0 ADAELO COC(=O)[C@](C)([NH3+])c1ccccc1F 37459714 168124589 /nfs/dbraw/zinc/12/45/89/168124589.db2.gz FVVLBKPONTUUBM-SNVBAGLBSA-N 1 2 197.209 1.173 10 0 ADAELO COC(=O)[C@](C)([NH2+]C1CC1)C(C)C 52883739 168124635 /nfs/dbraw/zinc/12/46/35/168124635.db2.gz FFSDRZNQWDTASD-SNVBAGLBSA-N 1 2 185.267 1.326 10 0 ADAELO COC(=O)c1c[nH+]c(C)c(C)c1OC 65739701 168135304 /nfs/dbraw/zinc/13/53/04/168135304.db2.gz GGJHECRMGSQBBV-UHFFFAOYSA-N 1 2 195.218 1.494 10 0 in-vitro ADAELO COC(=O)c1cn2cc[nH+]c2cc1C 89202420 168135563 /nfs/dbraw/zinc/13/55/63/168135563.db2.gz OMPFNRCQRNRVLA-UHFFFAOYSA-N 1 2 190.202 1.429 10 0 ADAELO COC(=O)c1c[nH+]c2c(c1C)CCN2 82388980 168135896 /nfs/dbraw/zinc/13/58/96/168135896.db2.gz GSPSKAHLDXCLGK-UHFFFAOYSA-N 1 2 192.218 1.145 10 0 ADAELO COC(CCNc1cccc[nH+]1)OC 211771832 168141608 /nfs/dbraw/zinc/14/16/08/168141608.db2.gz ALSDGFZRJJJBEM-UHFFFAOYSA-N 1 2 196.250 1.503 10 0 ADAELO COC1(OC)C[N@H+](CC(C)C)[C@@H]1C 39090288 168143190 /nfs/dbraw/zinc/14/31/90/168143190.db2.gz LCJRVPZKHYOUNP-SECBINFHSA-N 1 2 187.283 1.336 10 0 ADAELO COC1(OC)C[N@@H+](CC(C)C)[C@@H]1C 39090288 168143193 /nfs/dbraw/zinc/14/31/93/168143193.db2.gz LCJRVPZKHYOUNP-SECBINFHSA-N 1 2 187.283 1.336 10 0 ADAELO COC1(OC)C[N@H+](C(C)C)[C@H]1C 39089794 168143480 /nfs/dbraw/zinc/14/34/80/168143480.db2.gz HSTYWSWEOHLVMD-QMMMGPOBSA-N 1 2 173.256 1.088 10 0 ADAELO COC1(OC)C[N@@H+](C(C)C)[C@H]1C 39089794 168143482 /nfs/dbraw/zinc/14/34/82/168143482.db2.gz HSTYWSWEOHLVMD-QMMMGPOBSA-N 1 2 173.256 1.088 10 0 ADAELO COC1(OC)C[N@H+](C(C)C)[C@@H]1C 39089793 168143519 /nfs/dbraw/zinc/14/35/19/168143519.db2.gz HSTYWSWEOHLVMD-MRVPVSSYSA-N 1 2 173.256 1.088 10 0 ADAELO COC1(OC)C[N@@H+](C(C)C)[C@@H]1C 39089793 168143520 /nfs/dbraw/zinc/14/35/20/168143520.db2.gz HSTYWSWEOHLVMD-MRVPVSSYSA-N 1 2 173.256 1.088 10 0 ADAELO COC1(OC)C[N@H+](CC(C)C)[C@H]1C 39090289 168143584 /nfs/dbraw/zinc/14/35/84/168143584.db2.gz LCJRVPZKHYOUNP-VIFPVBQESA-N 1 2 187.283 1.336 10 0 ADAELO COC1(OC)C[N@@H+](CC(C)C)[C@H]1C 39090289 168143585 /nfs/dbraw/zinc/14/35/85/168143585.db2.gz LCJRVPZKHYOUNP-VIFPVBQESA-N 1 2 187.283 1.336 10 0 ADAELO COC1(C)C[NH+](Cc2conc2C)C1 334511574 168144310 /nfs/dbraw/zinc/14/43/10/168144310.db2.gz MTDRATAQLALYKP-UHFFFAOYSA-N 1 2 196.250 1.204 10 0 ADAELO COC1C[NH+](Cc2ccc(C)o2)C1 334725698 168146883 /nfs/dbraw/zinc/14/68/83/168146883.db2.gz AKBNVRBQNQMWPJ-UHFFFAOYSA-N 1 2 181.235 1.419 10 0 ADAELO COC1C[NH+](Cc2cccc(O)c2)C1 334727284 168146996 /nfs/dbraw/zinc/14/69/96/168146996.db2.gz IDWPOMZLLYFBHL-UHFFFAOYSA-N 1 2 193.246 1.223 10 0 ADAELO COC1C[NH+](Cc2cccnc2C)C1 334732502 168147012 /nfs/dbraw/zinc/14/70/12/168147012.db2.gz GTYKDERWKCCWOM-UHFFFAOYSA-N 1 2 192.262 1.221 10 0 ADAELO COC1C[NH+](Cc2csc(C)c2)C1 334791825 168147564 /nfs/dbraw/zinc/14/75/64/168147564.db2.gz BKGUZDVTXJMLME-UHFFFAOYSA-N 1 2 197.303 1.887 10 0 ADAELO COCCC[NH2+]c1ccc(N)cc1F 36926646 168156700 /nfs/dbraw/zinc/15/67/00/168156700.db2.gz JWGJYEIVJOSTPA-UHFFFAOYSA-N 1 2 198.241 1.856 10 0 ADAELO COCCCOc1cc(N)cc[nH+]1 43569616 168157773 /nfs/dbraw/zinc/15/77/73/168157773.db2.gz BXLMNDVCDKGGJG-UHFFFAOYSA-N 1 2 182.223 1.079 10 0 ADAELO COCCCc1[nH+]cccc1C 169332990 168158543 /nfs/dbraw/zinc/15/85/43/168158543.db2.gz MASDLDIUCDOYKP-UHFFFAOYSA-N 1 2 165.236 1.969 10 0 ADAELO COCC[N@H+](C)CC(=O)c1ccco1 42459825 168158776 /nfs/dbraw/zinc/15/87/76/168158776.db2.gz MQWDGTWFKIZJOV-UHFFFAOYSA-N 1 2 197.234 1.041 10 0 ADAELO COCC[N@@H+](C)CC(=O)c1ccco1 42459825 168158777 /nfs/dbraw/zinc/15/87/77/168158777.db2.gz MQWDGTWFKIZJOV-UHFFFAOYSA-N 1 2 197.234 1.041 10 0 ADAELO COCCN(C)c1ccc([NH3+])cc1C 42459124 168161600 /nfs/dbraw/zinc/16/16/00/168161600.db2.gz TYKCZQKXYHYWPR-UHFFFAOYSA-N 1 2 194.278 1.660 10 0 ADAELO COCCNc1ccc([NH+](C)C)cc1 36335555 168168930 /nfs/dbraw/zinc/16/89/30/168168930.db2.gz MMPYAUVCOQASGX-UHFFFAOYSA-N 1 2 194.278 1.811 10 0 ADAELO COCC[NH2+]c1ccc(N)c(C)c1 35277608 168169599 /nfs/dbraw/zinc/16/95/99/168169599.db2.gz FZIQAYDEGQMDHG-UHFFFAOYSA-N 1 2 180.251 1.636 10 0 ADAELO COCCNc1ccc([NH3+])cc1C 36950097 168170196 /nfs/dbraw/zinc/17/01/96/168170196.db2.gz MZASAHIXPKIDAY-UHFFFAOYSA-N 1 2 180.251 1.636 10 0 ADAELO COCCOCCCc1c[nH]c[nH+]1 13560977 168170320 /nfs/dbraw/zinc/17/03/20/168170320.db2.gz WEMVZWWRQWWUTO-UHFFFAOYSA-N 1 2 184.239 1.005 10 0 ADAELO COCCOCCCc1c[nH+]c[nH]1 13560977 168170322 /nfs/dbraw/zinc/17/03/22/168170322.db2.gz WEMVZWWRQWWUTO-UHFFFAOYSA-N 1 2 184.239 1.005 10 0 ADAELO COCCOCOc1cc[nH+]cc1 39090135 168170568 /nfs/dbraw/zinc/17/05/68/168170568.db2.gz UOGCWIXKKXTSMK-UHFFFAOYSA-N 1 2 183.207 1.081 10 0 ADAELO COCCSc1ccc(N)[nH+]c1 37192497 168172637 /nfs/dbraw/zinc/17/26/37/168172637.db2.gz MGUFLCZADZRIPU-UHFFFAOYSA-N 1 2 184.264 1.402 10 0 ADAELO COCCc1nc(N)cc(C(C)C)[nH+]1 50846629 168175761 /nfs/dbraw/zinc/17/57/61/168175761.db2.gz ORZQWYNEOCPSLX-UHFFFAOYSA-N 1 2 195.266 1.371 10 0 ADAELO COCCn1c[nH+]c2cc(C)ccc21 39074920 168176203 /nfs/dbraw/zinc/17/62/03/168176203.db2.gz YAXLOJSZXXUSEJ-UHFFFAOYSA-N 1 2 190.246 1.991 10 0 ADAELO COCCc1[nH+]cnc2[nH]ccc12 222913664 168177227 /nfs/dbraw/zinc/17/72/27/168177227.db2.gz VMBWLYVCJSQCEN-UHFFFAOYSA-N 1 2 177.207 1.147 10 0 ADAELO COCSc1ccc(N)[nH+]c1 41570360 168178005 /nfs/dbraw/zinc/17/80/05/168178005.db2.gz SPMKDTQDCDJSNT-UHFFFAOYSA-N 1 2 170.237 1.360 10 0 ADAELO COC[C@@H]1C[N@@H+]1CC(C)(C)C 39081061 168185248 /nfs/dbraw/zinc/18/52/48/168185248.db2.gz NQPDXIAGFIBEHT-PEHGTWAWSA-N 1 2 157.257 1.363 10 0 ADAELO COC[C@@H]1C[N@H+]1CC(C)(C)C 39081061 168185249 /nfs/dbraw/zinc/18/52/49/168185249.db2.gz NQPDXIAGFIBEHT-PEHGTWAWSA-N 1 2 157.257 1.363 10 0 ADAELO COC[C@@H]1CCC(C)=[NH+]1 38281967 168185357 /nfs/dbraw/zinc/18/53/57/168185357.db2.gz NIFNACRFZORBMU-ZETCQYMHSA-N 1 2 127.187 1.256 10 0 ADAELO COC[C@H]1C[N@@H+]1CC(C)(C)C 39081059 168192627 /nfs/dbraw/zinc/19/26/27/168192627.db2.gz NQPDXIAGFIBEHT-HNHGDDPOSA-N 1 2 157.257 1.363 10 0 ADAELO COC[C@H]1C[N@H+]1CC(C)(C)C 39081059 168192629 /nfs/dbraw/zinc/19/26/29/168192629.db2.gz NQPDXIAGFIBEHT-HNHGDDPOSA-N 1 2 157.257 1.363 10 0 ADAELO COCc1cccc2[nH+]ccn12 89201235 168195509 /nfs/dbraw/zinc/19/55/09/168195509.db2.gz JULFKDNWXYBIIN-UHFFFAOYSA-N 1 2 162.192 1.481 10 0 ADAELO COCc1[nH]c2c(N)cccc2[nH+]1 36281991 168195844 /nfs/dbraw/zinc/19/58/44/168195844.db2.gz ZZKXNALUIPHAAE-UHFFFAOYSA-N 1 2 177.207 1.292 10 0 ADAELO COCn1c[nH+]c2c1CCCC2 39082268 168199259 /nfs/dbraw/zinc/19/92/59/168199259.db2.gz AYBCPZYFSNPXMV-UHFFFAOYSA-N 1 2 166.224 1.366 10 0 ADAELO CON1C(C)=[NH+]C(C)(C)C1(C)C 39089688 168199563 /nfs/dbraw/zinc/19/95/63/168199563.db2.gz BGYPYKIREPMCEJ-UHFFFAOYSA-N 1 2 170.256 1.839 10 0 ADAELO Cc1cc[nH+]cc1Cn1nccc1N 135468342 343963708 /nfs/dbraw/zinc/96/37/08/343963708.db2.gz XCFDWYPBJKWETG-UHFFFAOYSA-N 1 2 188.234 1.217 10 0 ADAELO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccn[nH]1 50371102 168205675 /nfs/dbraw/zinc/20/56/75/168205675.db2.gz HPZMZLHPVHQYEN-VHSXEESVSA-N 1 2 195.266 1.067 10 0 ADAELO CO[C@@H]1CCCc2[nH+]c(C)n(C)c21 76089466 168207383 /nfs/dbraw/zinc/20/73/83/168207383.db2.gz CPTPUWGXNXVGNJ-SECBINFHSA-N 1 2 180.251 1.752 10 0 ADAELO CO[C@@H]1CCCc2[nH+]c(C)[nH]c21 76089149 168208857 /nfs/dbraw/zinc/20/88/57/168208857.db2.gz PYTFYDXBERJEIT-MRVPVSSYSA-N 1 2 166.224 1.742 10 0 ADAELO CO[C@H]1C[C@@H](N(C)c2cccc[nH+]2)C1 334241886 168210190 /nfs/dbraw/zinc/21/01/90/168210190.db2.gz NXJQIKVBRZBZTJ-AOOOYVTPSA-N 1 2 192.262 1.695 10 0 ADAELO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccn[nH]1 50371104 168216291 /nfs/dbraw/zinc/21/62/91/168216291.db2.gz HPZMZLHPVHQYEN-UWVGGRQHSA-N 1 2 195.266 1.067 10 0 ADAELO CO[C@H]1CCCc2[nH+]c(C)n(C)c21 76089467 168216403 /nfs/dbraw/zinc/21/64/03/168216403.db2.gz CPTPUWGXNXVGNJ-VIFPVBQESA-N 1 2 180.251 1.752 10 0 ADAELO CO[C@H]1CCCc2[nH+]c(C)[nH]c21 76089144 168216645 /nfs/dbraw/zinc/21/66/45/168216645.db2.gz PYTFYDXBERJEIT-QMMMGPOBSA-N 1 2 166.224 1.742 10 0 ADAELO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccn[nH]1 50371108 168217600 /nfs/dbraw/zinc/21/76/00/168217600.db2.gz HPZMZLHPVHQYEN-ZJUUUORDSA-N 1 2 195.266 1.067 10 0 ADAELO COc1c(C)cc([NH3+])cc1N 34333793 168222968 /nfs/dbraw/zinc/22/29/68/168222968.db2.gz WERSDZKEJFOKJJ-UHFFFAOYSA-N 1 2 152.197 1.168 10 0 ADAELO COc1c(C)c[nH+]cc1OC1CC1 95729404 168223707 /nfs/dbraw/zinc/22/37/07/168223707.db2.gz JLTPDFRJSUXKKC-UHFFFAOYSA-N 1 2 179.219 1.940 10 0 ADAELO COc1c(N)c[nH+]cc1OC1CC1 95730276 168225939 /nfs/dbraw/zinc/22/59/39/168225939.db2.gz IQCLWZVMRHMRTH-UHFFFAOYSA-N 1 2 180.207 1.214 10 0 ADAELO COc1c([NH3+])cc(C)c(N)c1C 5116211 168226032 /nfs/dbraw/zinc/22/60/32/168226032.db2.gz BVWOHFHLLLPJLH-UHFFFAOYSA-N 1 2 166.224 1.476 10 0 ADAELO COc1c(N)ccc2cc[nH+]cc12 90515750 168226095 /nfs/dbraw/zinc/22/60/95/168226095.db2.gz YTZFBFRDQORRTQ-UHFFFAOYSA-N 1 2 174.203 1.826 10 0 ADAELO COc1cc(-c2[nH]cc[nH+]2)ccc1O 37974128 168227125 /nfs/dbraw/zinc/22/71/25/168227125.db2.gz AXLPSRUBQZHAPK-UHFFFAOYSA-N 1 2 190.202 1.791 10 0 ADAELO COc1cc(-c2[nH]cc[nH+]2)ccc1N 82530187 168227314 /nfs/dbraw/zinc/22/73/14/168227314.db2.gz YLMGZGIRVSDORG-UHFFFAOYSA-N 1 2 189.218 1.668 10 0 ADAELO COc1cc(C)cn2cc[nH+]c12 89202579 168231939 /nfs/dbraw/zinc/23/19/39/168231939.db2.gz WHTZHESINHNEOR-UHFFFAOYSA-N 1 2 162.192 1.651 10 0 ADAELO COc1cc(C)c[nH+]c1C 34085941 168232277 /nfs/dbraw/zinc/23/22/77/168232277.db2.gz SSHOFPRHAXXBPB-UHFFFAOYSA-N 1 2 137.182 1.707 10 0 ADAELO COc1cc(C)cc2[nH+]ccn12 39081686 168232865 /nfs/dbraw/zinc/23/28/65/168232865.db2.gz WFJMAGGEZOZIDL-UHFFFAOYSA-N 1 2 162.192 1.651 10 0 ADAELO COc1cc(N)c(OC2CC2)c[nH+]1 95731371 168235677 /nfs/dbraw/zinc/23/56/77/168235677.db2.gz SASKFJUJACNQQT-UHFFFAOYSA-N 1 2 180.207 1.214 10 0 ADAELO COc1cc(N)c[nH+]c1NCC(C)C 76982582 168236600 /nfs/dbraw/zinc/23/66/00/168236600.db2.gz LUBGHTMJJLSQIN-UHFFFAOYSA-N 1 2 195.266 1.740 10 0 ADAELO COc1cc(N)c[nH+]c1N1CCCC1 76982370 168236924 /nfs/dbraw/zinc/23/69/24/168236924.db2.gz MZHNSVZRFZPHLG-UHFFFAOYSA-N 1 2 193.250 1.273 10 0 ADAELO COc1cc(N)ccc1-n1cc[nH+]c1 82390989 168236967 /nfs/dbraw/zinc/23/69/67/168236967.db2.gz LAKGOJDXNBKZII-UHFFFAOYSA-N 1 2 189.218 1.463 10 0 ADAELO COc1cc(N)c[nH+]c1NC(C)C 76982588 168236981 /nfs/dbraw/zinc/23/69/81/168236981.db2.gz YXIXFSPYAHWBEQ-UHFFFAOYSA-N 1 2 181.239 1.493 10 0 ADAELO COc1cc(N)[nH+]c2ccc(F)cc12 75580529 168237003 /nfs/dbraw/zinc/23/70/03/168237003.db2.gz JEHDKDNFIHEMNQ-UHFFFAOYSA-N 1 2 192.193 1.965 10 0 ADAELO COc1cc(N)c[nH+]c1NC1CC1 76982751 168237020 /nfs/dbraw/zinc/23/70/20/168237020.db2.gz MXNFFIDNOQOCGR-UHFFFAOYSA-N 1 2 179.223 1.247 10 0 ADAELO COc1cc(N)cn2cc(C)[nH+]c12 76983599 168237767 /nfs/dbraw/zinc/23/77/67/168237767.db2.gz OZKJGOMIQPTTMC-UHFFFAOYSA-N 1 2 177.207 1.234 10 0 ADAELO COc1cc(N)ccc1-c1[nH]cc[nH+]1 82530188 168238052 /nfs/dbraw/zinc/23/80/52/168238052.db2.gz ULGOZVAUGDNTNG-UHFFFAOYSA-N 1 2 189.218 1.668 10 0 ADAELO COc1cc(OC2CC2)cc(N)[nH+]1 95729366 168238508 /nfs/dbraw/zinc/23/85/08/168238508.db2.gz MCVDVOBVUCMCDD-UHFFFAOYSA-N 1 2 180.207 1.214 10 0 ADAELO COc1cc(OC)c2[nH]c[nH+]c2c1 76208183 168238584 /nfs/dbraw/zinc/23/85/84/168238584.db2.gz HBLXSQBRJKXYPA-UHFFFAOYSA-N 1 2 178.191 1.580 10 0 ADAELO COc1cc(OC2CC2)c[nH+]c1N 95727982 168239038 /nfs/dbraw/zinc/23/90/38/168239038.db2.gz BILXCZVKTNDXAP-UHFFFAOYSA-N 1 2 180.207 1.214 10 0 ADAELO COc1cc(OC)c(C)[nH+]c1C 5330514 168239074 /nfs/dbraw/zinc/23/90/74/168239074.db2.gz ZEMUWAJODQYODJ-UHFFFAOYSA-N 1 2 167.208 1.716 10 0 ADAELO COc1cc(OC)c2[nH]c(C)[nH+]c2c1 76209578 168239283 /nfs/dbraw/zinc/23/92/83/168239283.db2.gz WRWBKHXUSZKEGS-UHFFFAOYSA-N 1 2 192.218 1.889 10 0 ADAELO COc1cc2c(c(OC)c1)CC[NH+]=C2 8472485 168240468 /nfs/dbraw/zinc/24/04/68/168240468.db2.gz LMVXSZRHGWMILD-UHFFFAOYSA-N 1 2 191.230 1.679 10 0 in-vitro ADAELO COc1cc2c(cc1N)CCC[NH2+]2 82397776 168240538 /nfs/dbraw/zinc/24/05/38/168240538.db2.gz JVMVGXXZERSKDS-UHFFFAOYSA-N 1 2 178.235 1.636 10 0 ADAELO COc1cc2c(cc1N)[NH2+]CCC2 82397824 168240796 /nfs/dbraw/zinc/24/07/96/168240796.db2.gz BRJFPEHXNVGTFJ-UHFFFAOYSA-N 1 2 178.235 1.636 10 0 ADAELO COc1cc2[nH+]c(C)[nH]c2cc1C=O 34448039 168240816 /nfs/dbraw/zinc/24/08/16/168240816.db2.gz YLMQJOMFVRQGKR-UHFFFAOYSA-N 1 2 190.202 1.692 10 0 ADAELO COc1cc2c3c(c1)[nH+]cn3CCC2 95924490 168240887 /nfs/dbraw/zinc/24/08/87/168240887.db2.gz ZYCPGPHRDMAIQP-UHFFFAOYSA-N 1 2 188.230 1.991 10 0 ADAELO COc1cc2c(cc1O)C(C)=[NH+]CC2 2512260 168240989 /nfs/dbraw/zinc/24/09/89/168240989.db2.gz GNFURDSMULTPOS-UHFFFAOYSA-N 1 2 191.230 1.766 10 0 ADAELO COc1cc2c(cc1[NH3+])CCN2C 82397826 168241243 /nfs/dbraw/zinc/24/12/43/168241243.db2.gz GJFYKBALSQWZLR-UHFFFAOYSA-N 1 2 178.235 1.270 10 0 ADAELO COc1cc2c(cc1[NH3+])CCN2 82404289 168241593 /nfs/dbraw/zinc/24/15/93/168241593.db2.gz SGKYEONDCMJKFR-UHFFFAOYSA-N 1 2 164.208 1.245 10 0 ADAELO COc1cc2c(cc1N)CC[NH2+]2 82404289 168241596 /nfs/dbraw/zinc/24/15/96/168241596.db2.gz SGKYEONDCMJKFR-UHFFFAOYSA-N 1 2 164.208 1.245 10 0 ADAELO COc1cc2[nH+]cn(C)c2cc1OC 209026 168241929 /nfs/dbraw/zinc/24/19/29/168241929.db2.gz GNWZQZYEOCXKBK-UHFFFAOYSA-N 1 2 192.218 1.591 10 0 ADAELO COc1cc2[nH+]c(C)[nH]c2cc1N 96288815 168242090 /nfs/dbraw/zinc/24/20/90/168242090.db2.gz WPEYADXRCCDMJV-UHFFFAOYSA-N 1 2 177.207 1.462 10 0 ADAELO COc1ccc(-n2cc[nH+]c2)cc1N 82390988 168242378 /nfs/dbraw/zinc/24/23/78/168242378.db2.gz WVJBLWWGYDHOHT-UHFFFAOYSA-N 1 2 189.218 1.463 10 0 ADAELO COc1ccc(-c2[nH]c[nH+]c2N)cc1 105866429 168242398 /nfs/dbraw/zinc/24/23/98/168242398.db2.gz RPKCNUBECQFSJO-UHFFFAOYSA-N 1 2 189.218 1.668 10 0 ADAELO COc1ccc(-n2c[nH+]c(N)c2)cc1 72193548 168242784 /nfs/dbraw/zinc/24/27/84/168242784.db2.gz MUVMDOSJAFUAGL-UHFFFAOYSA-N 1 2 189.218 1.463 10 0 ADAELO COc1cc2[nH+]c[nH]c2cc1C 115367686 168242827 /nfs/dbraw/zinc/24/28/27/168242827.db2.gz NTRDUQMAJNJZAW-UHFFFAOYSA-N 1 2 162.192 1.880 10 0 ADAELO COc1cc2[nH]c[nH+]c2cc1C 115367686 168242828 /nfs/dbraw/zinc/24/28/28/168242828.db2.gz NTRDUQMAJNJZAW-UHFFFAOYSA-N 1 2 162.192 1.880 10 0 ADAELO COc1cc2[nH+]ccn2cc1C 89202433 168243008 /nfs/dbraw/zinc/24/30/08/168243008.db2.gz GBQUKBXAUHVGGO-UHFFFAOYSA-N 1 2 162.192 1.651 10 0 ADAELO COc1cc2[nH+]cn(C)c2cc1C 95922460 168243195 /nfs/dbraw/zinc/24/31/95/168243195.db2.gz XNCGNDBTRPZITR-UHFFFAOYSA-N 1 2 176.219 1.890 10 0 ADAELO COc1ccc(-c2[nH]cc[nH+]2)cc1N 42414897 168243221 /nfs/dbraw/zinc/24/32/21/168243221.db2.gz DPNIWJQOAYAKBR-UHFFFAOYSA-N 1 2 189.218 1.668 10 0 ADAELO COc1ccc(-c2c[nH]c[nH+]2)cn1 39089863 168243520 /nfs/dbraw/zinc/24/35/20/168243520.db2.gz CWCCWNCHEATMPU-UHFFFAOYSA-N 1 2 175.191 1.480 10 0 ADAELO COc1ccc(-n2cc[nH+]c2)cn1 38363213 168243530 /nfs/dbraw/zinc/24/35/30/168243530.db2.gz XVKDOSFMRFFMNA-UHFFFAOYSA-N 1 2 175.191 1.276 10 0 ADAELO COc1ccc(C2=NNC(=[NH2+])C2)cc1 100492437 168247600 /nfs/dbraw/zinc/24/76/00/168247600.db2.gz BUDARRKDXWUMAC-UHFFFAOYSA-N 1 2 189.218 1.160 10 0 ADAELO COc1ccc(Cn2cc[nH+]c2)cn1 334515031 168252451 /nfs/dbraw/zinc/25/24/51/168252451.db2.gz DYVVLKZJKKREFC-UHFFFAOYSA-N 1 2 189.218 1.335 10 0 ADAELO COc1ccc(Cn2cc[nH+]c2)cc1 32145671 168252648 /nfs/dbraw/zinc/25/26/48/168252648.db2.gz HRFKGGMFSTZFSH-UHFFFAOYSA-N 1 2 188.230 1.940 10 0 ADAELO COc1ccc(N)c(-n2cc[nH+]c2)c1 82390990 168253819 /nfs/dbraw/zinc/25/38/19/168253819.db2.gz FTKHBMQSAHZGTF-UHFFFAOYSA-N 1 2 189.218 1.463 10 0 ADAELO COc1ccc(N)cc1-c1[nH]cc[nH+]1 82530186 168254805 /nfs/dbraw/zinc/25/48/05/168254805.db2.gz HSMBVWSIIFAMFW-UHFFFAOYSA-N 1 2 189.218 1.668 10 0 ADAELO COc1ccc(N)cc1-n1cc[nH+]c1 39239590 168254881 /nfs/dbraw/zinc/25/48/81/168254881.db2.gz NCUDAHKHCZVAEU-UHFFFAOYSA-N 1 2 189.218 1.463 10 0 ADAELO COC1C[NH+](Cc2ccc(F)cc2)C1 335971293 168147767 /nfs/dbraw/zinc/14/77/67/168147767.db2.gz GWDLSFOIZGJUJY-UHFFFAOYSA-N 1 2 195.237 1.656 10 0 ADAELO COC1C[NH+](Cc2cnccc2C)C1 334741926 168147801 /nfs/dbraw/zinc/14/78/01/168147801.db2.gz VEWBIQBOGVCSCH-UHFFFAOYSA-N 1 2 192.262 1.221 10 0 ADAELO COc1ccc(OC)c2[nH+]c(C)[nH]c12 27109408 168256018 /nfs/dbraw/zinc/25/60/18/168256018.db2.gz GWZLMUNEDVTESN-UHFFFAOYSA-N 1 2 192.218 1.889 10 0 ADAELO COc1ccc(OC)c2c1C=[NH+]CC2 8473612 168256599 /nfs/dbraw/zinc/25/65/99/168256599.db2.gz YAKDIVWHLKENJB-UHFFFAOYSA-N 1 2 191.230 1.679 10 0 in-vitro ADAELO COc1ccc([C@@H]2CCN([NH3+])C2)cc1 77277014 168257700 /nfs/dbraw/zinc/25/77/00/168257700.db2.gz AIMZSAMWYAIGIE-SNVBAGLBSA-N 1 2 192.262 1.358 10 0 ADAELO COc1ccc([C@@H]2C[NH2+]2)cc1 82522380 168257744 /nfs/dbraw/zinc/25/77/44/168257744.db2.gz YGQXQPWKPJSNFU-VIFPVBQESA-N 1 2 149.193 1.340 10 0 ADAELO COc1ccc([C@@H]2CCCN2[NH3+])cc1 77276981 168258114 /nfs/dbraw/zinc/25/81/14/168258114.db2.gz ZOJCNEIAQPCKQZ-NSHDSACASA-N 1 2 192.262 1.706 10 0 ADAELO COc1ccc([C@H]2C[NH2+]2)cc1 82522381 168259324 /nfs/dbraw/zinc/25/93/24/168259324.db2.gz YGQXQPWKPJSNFU-SECBINFHSA-N 1 2 149.193 1.340 10 0 ADAELO COc1ccc([C@H]2CCCN2[NH3+])cc1 77276985 168259876 /nfs/dbraw/zinc/25/98/76/168259876.db2.gz ZOJCNEIAQPCKQZ-LLVKDONJSA-N 1 2 192.262 1.706 10 0 ADAELO COc1ccc([C@H]2CCN([NH3+])C2)cc1 77277022 168260119 /nfs/dbraw/zinc/26/01/19/168260119.db2.gz AIMZSAMWYAIGIE-JTQLQIEISA-N 1 2 192.262 1.358 10 0 ADAELO COc1ccc2c(c1)C=[NH+]CC2 21298397 168262050 /nfs/dbraw/zinc/26/20/50/168262050.db2.gz HUZQPQPMHASUHT-UHFFFAOYSA-N 1 2 161.204 1.670 10 0 in-vitro ADAELO COc1ccc2c(c1)C[C@@H](CO)C[NH2+]2 11633114 168262470 /nfs/dbraw/zinc/26/24/70/168262470.db2.gz QOAQSUYPCXLXRC-MRVPVSSYSA-N 1 2 193.246 1.272 10 0 ADAELO COc1ccc2c(c1)NCCC[NH2+]2 76602758 168263071 /nfs/dbraw/zinc/26/30/71/168263071.db2.gz YKYWBFQFBYGTNH-UHFFFAOYSA-N 1 2 178.235 1.923 10 0 ADAELO COc1ccc2c(c1)C[C@H](CO)C[NH2+]2 11633113 168263688 /nfs/dbraw/zinc/26/36/88/168263688.db2.gz QOAQSUYPCXLXRC-QMMMGPOBSA-N 1 2 193.246 1.272 10 0 ADAELO COc1ccc2ccc(N)[nH+]c2c1 34216304 168264189 /nfs/dbraw/zinc/26/41/89/168264189.db2.gz GSWUMGAQTSRPQB-UHFFFAOYSA-N 1 2 174.203 1.826 10 0 ADAELO COc1ccc2c(c1)[nH+]c(C)n2N 75972638 168264930 /nfs/dbraw/zinc/26/49/30/168264930.db2.gz WUFSFWUXRPODPG-UHFFFAOYSA-N 1 2 177.207 1.067 10 0 ADAELO COc1ccc2c(c1OC)CC[NH+]=C2 8494163 168265461 /nfs/dbraw/zinc/26/54/61/168265461.db2.gz HCIZYEJDPMPNBF-UHFFFAOYSA-N 1 2 191.230 1.679 10 0 in-vitro ADAELO COc1ccc2[nH+]c(C)n(C)c2c1 38337320 168265917 /nfs/dbraw/zinc/26/59/17/168265917.db2.gz BOIBGKVCSAFDSI-UHFFFAOYSA-N 1 2 176.219 1.890 10 0 ADAELO COc1ccc2[nH+]cn3c2c1CCC3 95924501 168265920 /nfs/dbraw/zinc/26/59/20/168265920.db2.gz GLYYHBRTEHRFJO-UHFFFAOYSA-N 1 2 188.230 1.991 10 0 ADAELO COc1ccc2[nH+]cn(CCO)c2c1 45238404 168266718 /nfs/dbraw/zinc/26/67/18/168266718.db2.gz RARMFNNPEVJWJK-UHFFFAOYSA-N 1 2 192.218 1.037 10 0 ADAELO COc1ccc2[nH+]cn(C)c2c1OC 95922708 168266933 /nfs/dbraw/zinc/26/69/33/168266933.db2.gz KSOJGFYZLALMRD-UHFFFAOYSA-N 1 2 192.218 1.591 10 0 ADAELO COc1cccc(-c2[nH]c[nH+]c2N)c1 105866428 168266939 /nfs/dbraw/zinc/26/69/39/168266939.db2.gz ZPBIAGVKFZXWQF-UHFFFAOYSA-N 1 2 189.218 1.668 10 0 ADAELO COc1cccc(-n2c[nH+]c(N)c2)c1 72193535 168268113 /nfs/dbraw/zinc/26/81/13/168268113.db2.gz MUALZRRFEWJGOH-UHFFFAOYSA-N 1 2 189.218 1.463 10 0 ADAELO COc1cccc(F)c1C1=[NH+]CCN1 62567751 168270098 /nfs/dbraw/zinc/27/00/98/168270098.db2.gz JADXEPTXPOEIPC-UHFFFAOYSA-N 1 2 194.209 1.184 10 0 ADAELO COc1cccc([C@@H]2CCN([NH3+])C2)c1 77277006 168271668 /nfs/dbraw/zinc/27/16/68/168271668.db2.gz OHWOTIMFIQHSQG-SNVBAGLBSA-N 1 2 192.262 1.358 10 0 ADAELO COc1cccc([C@H]2CCN([NH3+])C2)c1 77277012 168273300 /nfs/dbraw/zinc/27/33/00/168273300.db2.gz OHWOTIMFIQHSQG-JTQLQIEISA-N 1 2 192.262 1.358 10 0 ADAELO COc1ccccc1-c1[nH]c[nH+]c1N 105866425 168275119 /nfs/dbraw/zinc/27/51/19/168275119.db2.gz MKWFWTPPRPRBNA-UHFFFAOYSA-N 1 2 189.218 1.668 10 0 ADAELO COc1cccc2[nH+]c(C)n(C)c12 76209730 168275523 /nfs/dbraw/zinc/27/55/23/168275523.db2.gz SZCDGNWZNLYRNY-UHFFFAOYSA-N 1 2 176.219 1.890 10 0 ADAELO COc1cccc2[nH+]cn(C)c12 82404851 168276233 /nfs/dbraw/zinc/27/62/33/168276233.db2.gz HVGYEJKWKYMXKC-UHFFFAOYSA-N 1 2 162.192 1.582 10 0 ADAELO COc1ccccc1-n1c[nH+]c(N)c1 72193514 168276859 /nfs/dbraw/zinc/27/68/59/168276859.db2.gz UNLIVPNUABMTDY-UHFFFAOYSA-N 1 2 189.218 1.463 10 0 ADAELO COc1ccccc1[C@H]1CCN([NH3+])C1 77277003 168278915 /nfs/dbraw/zinc/27/89/15/168278915.db2.gz QZQFUZMIEOJNEN-VIFPVBQESA-N 1 2 192.262 1.358 10 0 ADAELO COc1cc[nH+]cc1[C@@H](C)O 39089242 168279586 /nfs/dbraw/zinc/27/95/86/168279586.db2.gz WXWKXNOFPNXPMS-ZCFIWIBFSA-N 1 2 153.181 1.144 10 0 ADAELO COc1ccncc1Cn1cc[nH+]c1 306283822 168279698 /nfs/dbraw/zinc/27/96/98/168279698.db2.gz AVKZAFXVRGDRHN-UHFFFAOYSA-N 1 2 189.218 1.335 10 0 ADAELO COc1c[nH+]c(C)cc1OC1CC1 95729395 168279906 /nfs/dbraw/zinc/27/99/06/168279906.db2.gz BANGELJHKAZXMR-UHFFFAOYSA-N 1 2 179.219 1.940 10 0 ADAELO COc1cc[nH+]cc1[C@H](C)O 39089241 168279934 /nfs/dbraw/zinc/27/99/34/168279934.db2.gz WXWKXNOFPNXPMS-LURJTMIESA-N 1 2 153.181 1.144 10 0 ADAELO COc1c[nH+]c(C)c(C)c1 95774460 168280220 /nfs/dbraw/zinc/28/02/20/168280220.db2.gz AWEFVWBAFFABNU-UHFFFAOYSA-N 1 2 137.182 1.707 10 0 ADAELO COc1cc[nH+]cc1OC1CC1 95723627 168280252 /nfs/dbraw/zinc/28/02/52/168280252.db2.gz PJSNJYSAKBVXEO-UHFFFAOYSA-N 1 2 165.192 1.631 10 0 ADAELO COc1c[nH+]cc(OC2CC2)c1OC 95731151 168281129 /nfs/dbraw/zinc/28/11/29/168281129.db2.gz WLDVCIFEWMZLKH-UHFFFAOYSA-N 1 2 195.218 1.640 10 0 ADAELO COc1c[nH+]ccc1OC1CC1 95726187 168281535 /nfs/dbraw/zinc/28/15/35/168281535.db2.gz UNBHSFVWSKWWDF-UHFFFAOYSA-N 1 2 165.192 1.631 10 0 ADAELO COc1c[nH+]cc(C)c1OC1CC1 95731072 168281765 /nfs/dbraw/zinc/28/17/65/168281765.db2.gz ZCDOEUWJKIMKDA-UHFFFAOYSA-N 1 2 179.219 1.940 10 0 ADAELO COc1c[nH+]c(N)c(OC2CC2)c1 95729137 168281774 /nfs/dbraw/zinc/28/17/74/168281774.db2.gz VQAXPQDMQDRURV-UHFFFAOYSA-N 1 2 180.207 1.214 10 0 ADAELO COc1c[nH+]cc(OC)c1OC1CC1 95731104 168281949 /nfs/dbraw/zinc/28/19/49/168281949.db2.gz WRDKOUBBFGJYLT-UHFFFAOYSA-N 1 2 195.218 1.640 10 0 ADAELO COc1c[nH+]cc(N)c1OC1CC1 95731090 168282134 /nfs/dbraw/zinc/28/21/34/168282134.db2.gz QRIXYQBLHFAIFA-UHFFFAOYSA-N 1 2 180.207 1.214 10 0 ADAELO COc1[nH+]ccc(N)c1OC1CC1 95731535 168287697 /nfs/dbraw/zinc/28/76/97/168287697.db2.gz XIHAEMBVXYPJDQ-UHFFFAOYSA-N 1 2 180.207 1.214 10 0 ADAELO COc1[nH+]ccc2c1cc(C=O)n2C 75579612 168288708 /nfs/dbraw/zinc/28/87/08/168288708.db2.gz SPGJQQCLGPOANH-UHFFFAOYSA-N 1 2 190.202 1.394 10 0 ADAELO CSC1=[NH+]CN(C(C)(C)C)CN1 145106 168296398 /nfs/dbraw/zinc/29/63/98/168296398.db2.gz XGIGXIYECKQRIE-UHFFFAOYSA-N 1 2 187.312 1.324 10 0 ADAELO CSC1(C[NH+]2CC(F)C2)CC1 306455159 168297325 /nfs/dbraw/zinc/29/73/25/168297325.db2.gz QDHWTZBFUGXWNF-UHFFFAOYSA-N 1 2 175.272 1.536 10 0 ADAELO CSCC(=O)Nc1cc[nH+]cc1C 307077558 168298106 /nfs/dbraw/zinc/29/81/06/168298106.db2.gz POCXEUHNUWHMGM-UHFFFAOYSA-N 1 2 196.275 1.692 10 0 ADAELO CSCC(=O)Nc1cc[nH+]cc1O 307318498 168298697 /nfs/dbraw/zinc/29/86/97/168298697.db2.gz MFFVZFUQLAHGKG-UHFFFAOYSA-N 1 2 198.247 1.089 10 0 ADAELO CSCC(=O)Nc1cc[nH+]c(C)c1 307312352 168299225 /nfs/dbraw/zinc/29/92/25/168299225.db2.gz GNMGRAGCSZPMAI-UHFFFAOYSA-N 1 2 196.275 1.692 10 0 ADAELO CSCC[N@@H+]1CCC(F)(F)C1 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ADAELO Cn1ccn2c3ccccc3[nH+]c12 45238377 169049582 /nfs/dbraw/zinc/04/95/82/169049582.db2.gz DGACDYIVVUKPAU-UHFFFAOYSA-N 1 2 171.203 1.826 10 0 ADAELO Cn1cccc1[C@H]1CCCN1[NH3+] 77261760 169050237 /nfs/dbraw/zinc/05/02/37/169050237.db2.gz RQINOVRPJZOLSL-SECBINFHSA-N 1 2 165.240 1.036 10 0 ADAELO Cn1cccc1[C@@H]1CCCCN1[NH3+] 77267909 169050328 /nfs/dbraw/zinc/05/03/28/169050328.db2.gz NBYYPNPGAIYDBI-JTQLQIEISA-N 1 2 179.267 1.426 10 0 ADAELO Cn1cccc1[C@H]1CCCCN1[NH3+] 77267914 169050465 /nfs/dbraw/zinc/05/04/65/169050465.db2.gz NBYYPNPGAIYDBI-SNVBAGLBSA-N 1 2 179.267 1.426 10 0 ADAELO Cn1cccc1[C@@H]1CCCN1[NH3+] 77261755 169050561 /nfs/dbraw/zinc/05/05/61/169050561.db2.gz RQINOVRPJZOLSL-VIFPVBQESA-N 1 2 165.240 1.036 10 0 ADAELO Cn1ccnc1CNc1cccc[nH+]1 70853777 169050937 /nfs/dbraw/zinc/05/09/37/169050937.db2.gz XSHZQTVGVYZRHM-UHFFFAOYSA-N 1 2 188.234 1.427 10 0 ADAELO Cn1cc[nH+]c1-c1ccccc1N 34078974 169050998 /nfs/dbraw/zinc/05/09/98/169050998.db2.gz IXKPZYQKBBQROE-UHFFFAOYSA-N 1 2 173.219 1.669 10 0 ADAELO Cn1cc[nH+]c1CNc1cccnc1 51920670 169051801 /nfs/dbraw/zinc/05/18/01/169051801.db2.gz RUETYADDVGDNEI-UHFFFAOYSA-N 1 2 188.234 1.427 10 0 ADAELO Cn1cc[nH+]c1CNCC(F)(F)F 35806153 169051817 /nfs/dbraw/zinc/05/18/17/169051817.db2.gz FLOCPOZCWOROBI-UHFFFAOYSA-N 1 2 193.172 1.072 10 0 ADAELO Cn1cc[nH+]c1-c1ccc(N)c(F)c1 35565326 169052283 /nfs/dbraw/zinc/05/22/83/169052283.db2.gz INXKYOXZJYBNKQ-UHFFFAOYSA-N 1 2 191.209 1.808 10 0 ADAELO Cn1cc[nH+]c1-c1ccc(F)c(N)c1 75843664 169052350 /nfs/dbraw/zinc/05/23/50/169052350.db2.gz SQLXBSTUDQEOEH-UHFFFAOYSA-N 1 2 191.209 1.808 10 0 ADAELO Cn1ccnc1C[NH2+]Cc1ccco1 4243956 169052604 /nfs/dbraw/zinc/05/26/04/169052604.db2.gz GAEOYMBVTZLMEG-UHFFFAOYSA-N 1 2 191.234 1.303 10 0 ADAELO Cn1cc[nH+]c1-c1ccncc1N 82399370 169052882 /nfs/dbraw/zinc/05/28/82/169052882.db2.gz KMLATZJAKLIMIQ-UHFFFAOYSA-N 1 2 174.207 1.064 10 0 ADAELO Cn1ccnc1[C@H]([NH3+])c1ccco1 11735108 169054134 /nfs/dbraw/zinc/05/41/34/169054134.db2.gz KALIWCSUUUIMAI-MRVPVSSYSA-N 1 2 177.207 1.061 10 0 ADAELO Cn1ccnc1[C@@H]([NH3+])c1ccco1 11735107 169054719 /nfs/dbraw/zinc/05/47/19/169054719.db2.gz KALIWCSUUUIMAI-QMMMGPOBSA-N 1 2 177.207 1.061 10 0 ADAELO Cn1c[nH+]c2cc(CCO)ccc21 82587806 169055898 /nfs/dbraw/zinc/05/58/98/169055898.db2.gz ZEMPJFUNZAEBNT-UHFFFAOYSA-N 1 2 176.219 1.108 10 0 ADAELO Cn1c[nH+]c2cc(CCCO)ccc21 82588378 169056163 /nfs/dbraw/zinc/05/61/63/169056163.db2.gz JLMMWBLSFIKSSR-UHFFFAOYSA-N 1 2 190.246 1.498 10 0 ADAELO Cn1cnc2c3c(N)cc[nH+]c3ccc21 95922718 169056226 /nfs/dbraw/zinc/05/62/26/169056226.db2.gz YKBZKPRFNNAVFU-UHFFFAOYSA-N 1 2 198.229 1.704 10 0 ADAELO Cn1c[nH+]cc1-c1cccc(N)c1 82587720 169057179 /nfs/dbraw/zinc/05/71/79/169057179.db2.gz OZRFRQCXYRHLCC-UHFFFAOYSA-N 1 2 173.219 1.669 10 0 ADAELO Cn1c[nH+]c2cc3c(cc21)OCCO3 75838437 169057225 /nfs/dbraw/zinc/05/72/25/169057225.db2.gz JRQAEWOMCFRWJB-UHFFFAOYSA-N 1 2 190.202 1.345 10 0 ADAELO Cn1c[nH+]c2cc(F)c(F)c(F)c21 76208327 169057280 /nfs/dbraw/zinc/05/72/80/169057280.db2.gz FGQRVIFKBJQCAB-UHFFFAOYSA-N 1 2 186.136 1.991 10 0 ADAELO Cn1c[nH+]cc1[C@H](O)C(C)(C)C 38523134 169058082 /nfs/dbraw/zinc/05/80/82/169058082.db2.gz SCAHMTWRGGQKMJ-QMMMGPOBSA-N 1 2 168.240 1.500 10 0 ADAELO Cn1c[nH+]cc1[C@@H](O)C(C)(C)C 38523133 169058376 /nfs/dbraw/zinc/05/83/76/169058376.db2.gz SCAHMTWRGGQKMJ-MRVPVSSYSA-N 1 2 168.240 1.500 10 0 ADAELO FC(F)(F)C[NH2+]CC1CCOCC1 40887156 169071147 /nfs/dbraw/zinc/07/11/47/169071147.db2.gz NKYGRJCAXOHWDC-UHFFFAOYSA-N 1 2 197.200 1.565 10 0 ADAELO FC(F)(F)Cc1[nH]cc[nH+]1 82733954 169071581 /nfs/dbraw/zinc/07/15/81/169071581.db2.gz GBNOOFCFLYQKOK-UHFFFAOYSA-N 1 2 150.103 1.515 10 0 ADAELO FC(F)(F)CNCCn1cc[nH+]c1 42223662 169071657 /nfs/dbraw/zinc/07/16/57/169071657.db2.gz JMCQQTGBSMJFQZ-UHFFFAOYSA-N 1 2 193.172 1.035 10 0 ADAELO FC(F)(F)CNCc1[nH]cc[nH+]1 49714445 169071745 /nfs/dbraw/zinc/07/17/45/169071745.db2.gz NMJIBCJLTHFNNY-UHFFFAOYSA-N 1 2 179.145 1.062 10 0 ADAELO FC(F)(F)[C@@H]1NCCc2[nH+]c[nH]c21 32188269 169072235 /nfs/dbraw/zinc/07/22/35/169072235.db2.gz DQBNBIIKBRHTSA-ZCFIWIBFSA-N 1 2 191.156 1.159 10 0 ADAELO FC(F)(F)[C@H]1NCCc2[nH+]c[nH]c21 32188271 169072339 /nfs/dbraw/zinc/07/23/39/169072339.db2.gz DQBNBIIKBRHTSA-LURJTMIESA-N 1 2 191.156 1.159 10 0 ADAELO FC(F)(F)[C@@H]1[NH2+]C[C@H]2CC[C@H]21 226899575 169072651 /nfs/dbraw/zinc/07/26/51/169072651.db2.gz YOAGFHPPMIXJDS-HSUXUTPPSA-N 1 2 165.158 1.547 10 0 ADAELO FC(F)(F)[C@@H]1[NH2+]C[C@@H]2CCC[C@H]21 72208591 169072797 /nfs/dbraw/zinc/07/27/97/169072797.db2.gz KEABKQQNDCRUNK-RRKCRQDMSA-N 1 2 179.185 1.937 10 0 ADAELO FC(F)(F)[C@@H]1[NH2+]C[C@@H]2CC[C@@H]21 238557402 169072814 /nfs/dbraw/zinc/07/28/14/169072814.db2.gz YOAGFHPPMIXJDS-HCWXCVPCSA-N 1 2 165.158 1.547 10 0 ADAELO FC(F)(F)[C@@H]1[NH2+]C[C@@H]2CCC[C@@H]21 238557388 169072836 /nfs/dbraw/zinc/07/28/36/169072836.db2.gz KEABKQQNDCRUNK-LYFYHCNISA-N 1 2 179.185 1.937 10 0 ADAELO FC(F)(F)[C@@H]1[NH2+]C[C@H]2CCC[C@H]21 72208590 169072938 /nfs/dbraw/zinc/07/29/38/169072938.db2.gz KEABKQQNDCRUNK-FSDSQADBSA-N 1 2 179.185 1.937 10 0 ADAELO FC(F)(F)[C@@H]1[NH2+]C[C@@H]2CC[C@H]21 226899568 169072995 /nfs/dbraw/zinc/07/29/95/169072995.db2.gz YOAGFHPPMIXJDS-KVQBGUIXSA-N 1 2 165.158 1.547 10 0 ADAELO FC(F)(F)[C@@H]1[NH2+]C[C@H]2CCC[C@@H]21 238557422 169073011 /nfs/dbraw/zinc/07/30/11/169073011.db2.gz KEABKQQNDCRUNK-DSYKOEDSSA-N 1 2 179.185 1.937 10 0 ADAELO FC(F)(F)[C@@H]1[NH2+]C[C@H]2CC[C@@H]21 238557437 169073105 /nfs/dbraw/zinc/07/31/05/169073105.db2.gz YOAGFHPPMIXJDS-NGJCXOISSA-N 1 2 165.158 1.547 10 0 ADAELO FC(F)C(F)(F)C[NH2+]C1CC1 20518388 169073459 /nfs/dbraw/zinc/07/34/59/169073459.db2.gz VNBXOUBPRNDXTO-UHFFFAOYSA-N 1 2 171.137 1.639 10 0 ADAELO FC(F)C[NH2+]C[C@H]1CCCCO1 42818669 169073682 /nfs/dbraw/zinc/07/36/82/169073682.db2.gz MHAAABXAFFTHIO-SSDOTTSWSA-N 1 2 179.210 1.410 10 0 ADAELO FC(F)[C@@H]1Cc2ccccc2C[NH2+]1 13686981 169073960 /nfs/dbraw/zinc/07/39/60/169073960.db2.gz NWNOYQGTPGCCSQ-VIFPVBQESA-N 1 2 183.201 1.966 10 0 ADAELO FC(F)C[NH2+]C[C@@H]1CCCCO1 42818665 169073971 /nfs/dbraw/zinc/07/39/71/169073971.db2.gz MHAAABXAFFTHIO-ZETCQYMHSA-N 1 2 179.210 1.410 10 0 ADAELO FC(F)C(F)(F)n1cc[nH+]c1 113799859 169073987 /nfs/dbraw/zinc/07/39/87/169073987.db2.gz FWCNCCLDVGDQAB-UHFFFAOYSA-N 1 2 168.093 1.698 10 0 ADAELO FC(F)[C@H]1Cc2ccccc2C[NH2+]1 13686985 169074221 /nfs/dbraw/zinc/07/42/21/169074221.db2.gz NWNOYQGTPGCCSQ-SECBINFHSA-N 1 2 183.201 1.966 10 0 ADAELO FC(F)Oc1cc[nH+]cc1 38342292 169074961 /nfs/dbraw/zinc/07/49/61/169074961.db2.gz RZCULSLCAXRCRD-UHFFFAOYSA-N 1 2 145.108 1.683 10 0 ADAELO FC1C[NH+](CC[C@@H]2CCOC2)C1 306152755 169075628 /nfs/dbraw/zinc/07/56/28/169075628.db2.gz IBKNVCJNKCMHSZ-MRVPVSSYSA-N 1 2 173.231 1.067 10 0 ADAELO FC1C[NH+](CC[C@H]2CCOC2)C1 306152757 169075827 /nfs/dbraw/zinc/07/58/27/169075827.db2.gz IBKNVCJNKCMHSZ-QMMMGPOBSA-N 1 2 173.231 1.067 10 0 ADAELO FC1(F)CC[N@@H+](C2CCC2)C1 306360387 169075842 /nfs/dbraw/zinc/07/58/42/169075842.db2.gz AHAZHTYSAJAJEI-UHFFFAOYSA-N 1 2 161.195 1.880 10 0 ADAELO FC1(F)CC[N@H+](C2CCC2)C1 306360387 169075844 /nfs/dbraw/zinc/07/58/44/169075844.db2.gz AHAZHTYSAJAJEI-UHFFFAOYSA-N 1 2 161.195 1.880 10 0 ADAELO FC1C[NH+](C[C@@H]2CCSC2)C1 306633458 169076388 /nfs/dbraw/zinc/07/63/88/169076388.db2.gz RIMCJLYMDGUFCJ-ZETCQYMHSA-N 1 2 175.272 1.393 10 0 ADAELO FC1C[NH+](C[C@H]2CCCOC2)C1 306529784 169076560 /nfs/dbraw/zinc/07/65/60/169076560.db2.gz GEYODNUWAZELQF-MRVPVSSYSA-N 1 2 173.231 1.067 10 0 ADAELO FC1C[NH+](C[C@@H]2CCCOC2)C1 306529785 169076644 /nfs/dbraw/zinc/07/66/44/169076644.db2.gz GEYODNUWAZELQF-QMMMGPOBSA-N 1 2 173.231 1.067 10 0 ADAELO FC1C[NH+](C[C@H]2CCSC2)C1 306633457 169076977 /nfs/dbraw/zinc/07/69/77/169076977.db2.gz RIMCJLYMDGUFCJ-SSDOTTSWSA-N 1 2 175.272 1.393 10 0 ADAELO FC1CN(c2cc[nH+]c(C3CC3)n2)C1 335001931 169077795 /nfs/dbraw/zinc/07/77/95/169077795.db2.gz ZKEWZTMMPCIZRC-UHFFFAOYSA-N 1 2 193.225 1.512 10 0 ADAELO FC[C@@H]1CCCN1Cc1[nH]cc[nH+]1 307216905 169078326 /nfs/dbraw/zinc/07/83/26/169078326.db2.gz FQEFXHXYFAFJHE-QMMMGPOBSA-N 1 2 183.230 1.344 10 0 ADAELO FC[C@@H]1CCC[N@@H+]1Cc1ccon1 307248025 169078753 /nfs/dbraw/zinc/07/87/53/169078753.db2.gz AKAKVGJOVDNSGE-VIFPVBQESA-N 1 2 184.214 1.609 10 0 ADAELO FC[C@@H]1CCC[N@H+]1Cc1ccon1 307248025 169078754 /nfs/dbraw/zinc/07/87/54/169078754.db2.gz AKAKVGJOVDNSGE-VIFPVBQESA-N 1 2 184.214 1.609 10 0 ADAELO FC[C@@H]1CCC[N@@H+]1Cc1ccno1 307044529 169079006 /nfs/dbraw/zinc/07/90/06/169079006.db2.gz OGAJFTDAZVYRGL-QMMMGPOBSA-N 1 2 184.214 1.609 10 0 ADAELO FC[C@@H]1CCC[N@H+]1Cc1ccno1 307044529 169079007 /nfs/dbraw/zinc/07/90/07/169079007.db2.gz OGAJFTDAZVYRGL-QMMMGPOBSA-N 1 2 184.214 1.609 10 0 ADAELO FC[C@H]1CCC[N@@H+]1Cc1ccon1 307248023 169079737 /nfs/dbraw/zinc/07/97/37/169079737.db2.gz AKAKVGJOVDNSGE-SECBINFHSA-N 1 2 184.214 1.609 10 0 ADAELO FC[C@H]1CCC[N@H+]1Cc1ccon1 307248023 169079738 /nfs/dbraw/zinc/07/97/38/169079738.db2.gz AKAKVGJOVDNSGE-SECBINFHSA-N 1 2 184.214 1.609 10 0 ADAELO FC[C@H]1CCC[N@@H+]1Cc1ccno1 307044527 169079740 /nfs/dbraw/zinc/07/97/40/169079740.db2.gz OGAJFTDAZVYRGL-MRVPVSSYSA-N 1 2 184.214 1.609 10 0 ADAELO FC[C@H]1CCC[N@H+]1Cc1ccno1 307044527 169079741 /nfs/dbraw/zinc/07/97/41/169079741.db2.gz OGAJFTDAZVYRGL-MRVPVSSYSA-N 1 2 184.214 1.609 10 0 ADAELO FC[C@H]1CCCN1Cc1[nH]cc[nH+]1 307216902 169079953 /nfs/dbraw/zinc/07/99/53/169079953.db2.gz FQEFXHXYFAFJHE-MRVPVSSYSA-N 1 2 183.230 1.344 10 0 ADAELO Fc1ccc(-c2c[nH]c[nH+]2)cn1 35854914 169081752 /nfs/dbraw/zinc/08/17/52/169081752.db2.gz DIQVDBYJNJZQGO-UHFFFAOYSA-N 1 2 163.155 1.611 10 0 ADAELO Fc1ccc(F)c([C@H]2COCC[NH2+]2)c1 71507787 169083073 /nfs/dbraw/zinc/08/30/73/169083073.db2.gz RXJQMZXSNKPTSY-SNVBAGLBSA-N 1 2 199.200 1.626 10 0 ADAELO Fc1ccc(NCc2[nH]cc[nH+]2)nc1 82737560 169083441 /nfs/dbraw/zinc/08/34/41/169083441.db2.gz YDQCSIMPDGNSEL-UHFFFAOYSA-N 1 2 192.197 1.556 10 0 ADAELO Fc1ccc(F)c([C@@H]2COCC[NH2+]2)c1 71507786 169083578 /nfs/dbraw/zinc/08/35/78/169083578.db2.gz RXJQMZXSNKPTSY-JTQLQIEISA-N 1 2 199.200 1.626 10 0 ADAELO Fc1ccc2c(c1)NCc1c[nH+]cn1-2 82391097 169084031 /nfs/dbraw/zinc/08/40/31/169084031.db2.gz UFSYRACYWKVUES-UHFFFAOYSA-N 1 2 189.193 1.937 10 0 ADAELO Fc1ccc2c(c1)C=[NH+]CC2 34364062 169084213 /nfs/dbraw/zinc/08/42/13/169084213.db2.gz JGMIQDRFJNEVQG-UHFFFAOYSA-N 1 2 149.168 1.801 10 0 ADAELO Fc1ccc([C@@H]2COCC[NH2+]2)c(F)c1 71507795 169084809 /nfs/dbraw/zinc/08/48/09/169084809.db2.gz QUIDCXPVVSHCNT-JTQLQIEISA-N 1 2 199.200 1.626 10 0 ADAELO Fc1ccc([C@H]2COCC[NH2+]2)c(F)c1 71507796 169084942 /nfs/dbraw/zinc/08/49/42/169084942.db2.gz QUIDCXPVVSHCNT-SNVBAGLBSA-N 1 2 199.200 1.626 10 0 ADAELO Fc1cccc(NCc2[nH]cc[nH+]2)n1 83341732 169085490 /nfs/dbraw/zinc/08/54/90/169085490.db2.gz GEGMNXOMPGTRMY-UHFFFAOYSA-N 1 2 192.197 1.556 10 0 ADAELO Fc1cccc(F)c1[C@@H]1COCC[NH2+]1 82911706 169085663 /nfs/dbraw/zinc/08/56/63/169085663.db2.gz AARMRMMGFFIIKL-VIFPVBQESA-N 1 2 199.200 1.626 10 0 ADAELO Fc1cccc(F)c1[C@H]1COCC[NH2+]1 82911707 169086600 /nfs/dbraw/zinc/08/66/00/169086600.db2.gz AARMRMMGFFIIKL-SECBINFHSA-N 1 2 199.200 1.626 10 0 ADAELO Fc1cccc(Cl)c1C1=[NH+]CCN1 71507758 169086843 /nfs/dbraw/zinc/08/68/43/169086843.db2.gz WJJKKOWOGRKYNA-UHFFFAOYSA-N 1 2 198.628 1.829 10 0 ADAELO Fc1cccc([C@@H]2COCC[NH2+]2)c1F 76136549 169088084 /nfs/dbraw/zinc/08/80/84/169088084.db2.gz ZAPUYZCVRHRGBH-VIFPVBQESA-N 1 2 199.200 1.626 10 0 ADAELO Fc1cccc([C@H]2COCC[NH2+]2)c1F 76136550 169088317 /nfs/dbraw/zinc/08/83/17/169088317.db2.gz ZAPUYZCVRHRGBH-SECBINFHSA-N 1 2 199.200 1.626 10 0 ADAELO Fc1c[nH+]cc2c1NCCN2 299890113 169088788 /nfs/dbraw/zinc/08/87/88/169088788.db2.gz ULRSZNPHGGOWNJ-UHFFFAOYSA-N 1 2 153.160 1.058 10 0 ADAELO Fc1cnc(Cl)nc1-n1cc[nH+]c1 38916829 169089359 /nfs/dbraw/zinc/08/93/59/169089359.db2.gz XXVXUNXAFGVMEX-UHFFFAOYSA-N 1 2 198.588 1.455 10 0 ADAELO [NH3+]/C=C/C=C\c1ccccn1 39375086 169133643 /nfs/dbraw/zinc/13/36/43/169133643.db2.gz ZYZKDVWJEUYUIE-YLSHZGKGSA-N 1 2 146.193 1.567 10 0 ADAELO [NH3+]/C=C\c1ccncc1 100186799 169134181 /nfs/dbraw/zinc/13/41/81/169134181.db2.gz YJDNKMUZKQRGCY-RJRFIUFISA-N 1 2 120.155 1.011 10 0 ADAELO [NH3+]/C=C/c1ccncc1 100137259 169134858 /nfs/dbraw/zinc/13/48/58/169134858.db2.gz YJDNKMUZKQRGCY-DAFODLJHSA-N 1 2 120.155 1.011 10 0 ADAELO [NH3+]/C=C\C=C/c1ccncc1 39054486 169135050 /nfs/dbraw/zinc/13/50/50/169135050.db2.gz PYFWPIRDKIGUSD-SJDXMKNESA-N 1 2 146.193 1.567 10 0 ADAELO [NH3+]/C=C\c1cccnc1 100304625 169135168 /nfs/dbraw/zinc/13/51/68/169135168.db2.gz LCTZAVXIVLCKMH-ARJAWSKDSA-N 1 2 120.155 1.011 10 0 ADAELO NC(=[NH2+])c1ccc(O)c(Cl)c1 42410880 169140677 /nfs/dbraw/zinc/14/06/77/169140677.db2.gz WDTKJQXTAFPVKX-UHFFFAOYSA-N 1 2 170.599 1.330 10 0 ADAELO NC(=[NH2+])c1nc2ccc(O)cc2s1 45236314 169141208 /nfs/dbraw/zinc/14/12/08/169141208.db2.gz XPEKDCDAFUBDHJ-UHFFFAOYSA-N 1 2 193.231 1.286 10 0 ADAELO NC(=[NH2+])c1nc2cc(F)ccc2s1 75847718 169141469 /nfs/dbraw/zinc/14/14/69/169141469.db2.gz GBGWKGUFJZBKGY-UHFFFAOYSA-N 1 2 195.222 1.719 10 0 ADAELO NC(=[NH2+])c1noc2ccccc12 84290582 169141634 /nfs/dbraw/zinc/14/16/34/169141634.db2.gz PPWGJDNKTUZLHO-UHFFFAOYSA-N 1 2 161.164 1.112 10 0 ADAELO NC(=[NH2+])c1nc2c(s1)CSCC2 75847723 169141636 /nfs/dbraw/zinc/14/16/36/169141636.db2.gz CREHMDJZHVKTSI-UHFFFAOYSA-N 1 2 199.304 1.216 10 0 ADAELO NC(=[NH2+])c1nc2ccc(F)cc2s1 75847717 169141720 /nfs/dbraw/zinc/14/17/20/169141720.db2.gz RZNISCWYSOLQAY-UHFFFAOYSA-N 1 2 195.222 1.719 10 0 ADAELO NC(=[NH2+])c1nc2ccc(N)cc2s1 75847715 169141895 /nfs/dbraw/zinc/14/18/95/169141895.db2.gz UHONPLWBEFEOPR-UHFFFAOYSA-N 1 2 192.247 1.163 10 0 ADAELO [NH2+]=C(Oc1ccccc1)n1ccnc1 39090325 169142397 /nfs/dbraw/zinc/14/23/97/169142397.db2.gz HKLZLKLGEKECTD-UHFFFAOYSA-N 1 2 187.202 1.745 10 0 ADAELO NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 334214526 169142438 /nfs/dbraw/zinc/14/24/38/169142438.db2.gz DPPIUJAXWGJGIY-VIFPVBQESA-N 1 2 198.266 1.165 10 0 ADAELO NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 334214526 169142439 /nfs/dbraw/zinc/14/24/39/169142439.db2.gz DPPIUJAXWGJGIY-VIFPVBQESA-N 1 2 198.266 1.165 10 0 ADAELO NC(=O)C[N@@H+]1CCOC[C@H]1C1CCC1 335448416 169142711 /nfs/dbraw/zinc/14/27/11/169142711.db2.gz XBRMMNGCRLYCHU-VIFPVBQESA-N 1 2 198.266 1.023 10 0 ADAELO NC(=O)C[N@H+]1CCOC[C@H]1C1CCC1 335448416 169142712 /nfs/dbraw/zinc/14/27/12/169142712.db2.gz XBRMMNGCRLYCHU-VIFPVBQESA-N 1 2 198.266 1.023 10 0 ADAELO NC(=O)C[N@@H+]1CCO[C@@H](C2CCC2)C1 335663576 169142787 /nfs/dbraw/zinc/14/27/87/169142787.db2.gz NWRVCUUCDAUMHZ-SECBINFHSA-N 1 2 198.266 1.023 10 0 ADAELO NC(=O)C[N@H+]1CCO[C@@H](C2CCC2)C1 335663576 169142790 /nfs/dbraw/zinc/14/27/90/169142790.db2.gz NWRVCUUCDAUMHZ-SECBINFHSA-N 1 2 198.266 1.023 10 0 ADAELO [NH2+]=C1CC2(CC2)CO1 33975115 169142868 /nfs/dbraw/zinc/14/28/68/169142868.db2.gz ZNTIIPIDAAYANL-UHFFFAOYSA-N 1 2 111.144 1.164 10 0 ADAELO NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 334214516 169143275 /nfs/dbraw/zinc/14/32/75/169143275.db2.gz DPPIUJAXWGJGIY-SECBINFHSA-N 1 2 198.266 1.165 10 0 ADAELO NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 334214516 169143276 /nfs/dbraw/zinc/14/32/76/169143276.db2.gz DPPIUJAXWGJGIY-SECBINFHSA-N 1 2 198.266 1.165 10 0 ADAELO NC(=O)C[N@@H+]1CCOC[C@@H]1C1CCC1 335448415 169143400 /nfs/dbraw/zinc/14/34/00/169143400.db2.gz XBRMMNGCRLYCHU-SECBINFHSA-N 1 2 198.266 1.023 10 0 ADAELO NC(=O)C[N@H+]1CCOC[C@@H]1C1CCC1 335448415 169143402 /nfs/dbraw/zinc/14/34/02/169143402.db2.gz XBRMMNGCRLYCHU-SECBINFHSA-N 1 2 198.266 1.023 10 0 ADAELO NC(=O)C[N@@H+]1CCO[C@H](C2CCC2)C1 335663577 169143782 /nfs/dbraw/zinc/14/37/82/169143782.db2.gz NWRVCUUCDAUMHZ-VIFPVBQESA-N 1 2 198.266 1.023 10 0 ADAELO NC(=O)C[N@H+]1CCO[C@H](C2CCC2)C1 335663577 169143783 /nfs/dbraw/zinc/14/37/83/169143783.db2.gz NWRVCUUCDAUMHZ-VIFPVBQESA-N 1 2 198.266 1.023 10 0 ADAELO N=C1NC(=[NH2+])C2=C1SCCS2 5191103 169144545 /nfs/dbraw/zinc/14/45/45/169144545.db2.gz XTFKKPTYHWLGMD-UHFFFAOYSA-N 1 2 185.277 1.026 10 0 ADAELO [NH2+]=CNc1ccccn1 39050970 169144977 /nfs/dbraw/zinc/14/49/77/169144977.db2.gz RYPWIZWYEMHJJY-UHFFFAOYSA-N 1 2 121.143 1.101 10 0 ADAELO N=Cc1cccc(C=[NH2+])n1 39050490 169145063 /nfs/dbraw/zinc/14/50/63/169145063.db2.gz SPPJCXLJXKYCJC-UHFFFAOYSA-N 1 2 133.154 1.077 10 0 ADAELO [NH2+]=C1Nc2ccccc2CO1 34261150 169145569 /nfs/dbraw/zinc/14/55/69/169145569.db2.gz SKHFTZPGXNBTJS-UHFFFAOYSA-N 1 2 148.165 1.563 10 0 ADAELO [NH3+]C/C(=C/F)c1cccc(O)c1 13534934 169167586 /nfs/dbraw/zinc/16/75/86/169167586.db2.gz XFDXQLJFMLWWJA-YVMONPNESA-N 1 2 167.183 1.661 10 0 ADAELO [NH3+]C(c1cccnc1)c1cccnc1 37761808 169167813 /nfs/dbraw/zinc/16/78/13/169167813.db2.gz FQTRJVLWUYXOIN-UHFFFAOYSA-N 1 2 185.230 1.525 10 0 ADAELO NC(=S)c1cc[nH+]c(NC2CC2)c1 19514187 169168061 /nfs/dbraw/zinc/16/80/61/169168061.db2.gz SOVWWAITIZUTTG-UHFFFAOYSA-N 1 2 193.275 1.290 10 0 ADAELO [NH3+]C/C(=C/F)c1ccccc1 13534920 169168194 /nfs/dbraw/zinc/16/81/94/169168194.db2.gz BVQOKAMNLHBPMH-TWGQIWQCSA-N 1 2 151.184 1.956 10 0 ADAELO [NH3+]C/C(=C\F)c1ccccc1 13534916 169168272 /nfs/dbraw/zinc/16/82/72/169168272.db2.gz BVQOKAMNLHBPMH-RMKNXTFCSA-N 1 2 151.184 1.956 10 0 ADAELO [NH3+]C(c1ccncc1)c1ccncc1 41655824 169168416 /nfs/dbraw/zinc/16/84/16/169168416.db2.gz TXTNQIRMNAZZNH-UHFFFAOYSA-N 1 2 185.230 1.525 10 0 ADAELO NC1=[NH+]O[C@@H](c2ccccc2)C1 37631376 169170633 /nfs/dbraw/zinc/17/06/33/169170633.db2.gz POHMDVFPMBXVTP-MRVPVSSYSA-N 1 2 162.192 1.420 10 0 ADAELO NC1=[NH+]O[C@H](c2ccccc2)C1 37631374 169171209 /nfs/dbraw/zinc/17/12/09/169171209.db2.gz POHMDVFPMBXVTP-QMMMGPOBSA-N 1 2 162.192 1.420 10 0 ADAELO [NH3+]CC(=O)c1cc2cccc(O)c2o1 82888995 169176424 /nfs/dbraw/zinc/17/64/24/169176424.db2.gz JBSZNRYKHDKHGJ-UHFFFAOYSA-N 1 2 191.186 1.280 10 0 ADAELO [NH3+]CC(=O)c1cccc(Cl)c1O 82878720 169176536 /nfs/dbraw/zinc/17/65/36/169176536.db2.gz XENGOCPASGSDHJ-UHFFFAOYSA-N 1 2 185.610 1.187 10 0 ADAELO [NH3+]CCC(=O)c1ccc(O)c(F)c1 82884767 169178813 /nfs/dbraw/zinc/17/88/13/169178813.db2.gz AYSUADWCIFFUIG-UHFFFAOYSA-N 1 2 183.182 1.063 10 0 ADAELO [NH3+]CCC(=O)c1ccc(O)c(Cl)c1 82912220 169179291 /nfs/dbraw/zinc/17/92/91/169179291.db2.gz ZYARPORPSVHZCJ-UHFFFAOYSA-N 1 2 199.637 1.577 10 0 ADAELO [NH3+]CCc1c[nH]c2ccc(S)cc12 2039971 169197016 /nfs/dbraw/zinc/19/70/16/169197016.db2.gz IUQLRJYCXCDFAC-UHFFFAOYSA-N 1 2 192.287 1.958 10 0 ADAELO [NH3+]CCc1n[nH]c(C2CCCCC2)n1 41058866 169199368 /nfs/dbraw/zinc/19/93/68/169199368.db2.gz KENMKDLWCIIMSV-UHFFFAOYSA-N 1 2 194.282 1.354 10 0 ADAELO [NH3+]Cc1cc(Cl)c(O)cc1F 82868787 169218339 /nfs/dbraw/zinc/21/83/39/169218339.db2.gz JFAFIPOQTMZKCJ-UHFFFAOYSA-N 1 2 175.590 1.643 10 0 ADAELO [NH3+]Cc1cccc(S)c1 83119778 169224278 /nfs/dbraw/zinc/22/42/78/169224278.db2.gz MQRMWSYMUKSODL-UHFFFAOYSA-N 1 2 139.223 1.434 10 0 ADAELO [NH3+]Cc1ccccc1S 39194163 169224820 /nfs/dbraw/zinc/22/48/20/169224820.db2.gz KWYDGSCNANPBRG-UHFFFAOYSA-N 1 2 139.223 1.434 10 0 ADAELO [NH3+]N1CCC(c2cccc(F)c2)CC1 77295413 169233443 /nfs/dbraw/zinc/23/34/43/169233443.db2.gz WUVLWEHUGDNGBJ-UHFFFAOYSA-N 1 2 194.253 1.879 10 0 ADAELO [NH3+]N1CC[C@@H](C2CCCCC2)C1 77263077 169233514 /nfs/dbraw/zinc/23/35/14/169233514.db2.gz DALQPACYMOFZRW-SNVBAGLBSA-N 1 2 168.284 1.762 10 0 ADAELO [NH3+]N1CCO[C@@H](c2ccc(F)cc2)C1 71507295 169233527 /nfs/dbraw/zinc/23/35/27/169233527.db2.gz TUVBJXULEQQJJE-SNVBAGLBSA-N 1 2 196.225 1.073 10 0 ADAELO [NH3+]N1CCC[C@H]1CCc1ccccc1 77275526 169233534 /nfs/dbraw/zinc/23/35/34/169233534.db2.gz SAZFDGCTPHZZEU-LBPRGKRZSA-N 1 2 190.290 1.957 10 0 ADAELO [NH3+]N1CCC[C@@H](c2cccs2)C1 77270116 169233550 /nfs/dbraw/zinc/23/35/50/169233550.db2.gz JPZRGBWJLUMFOQ-MRVPVSSYSA-N 1 2 182.292 1.801 10 0 ADAELO [NH3+]N1CC[C@@H](c2cccc(F)c2)C1 77268342 169233601 /nfs/dbraw/zinc/23/36/01/169233601.db2.gz VDLYZWNWGOAFBC-SECBINFHSA-N 1 2 180.226 1.489 10 0 ADAELO [NH3+]N1CCC[C@H](c2ccco2)C1 77261950 169233604 /nfs/dbraw/zinc/23/36/04/169233604.db2.gz UTXUSAMHEZKJBL-QMMMGPOBSA-N 1 2 166.224 1.333 10 0 ADAELO [NH3+]N1CCC[C@@H]1CCc1ccccc1 77275530 169233619 /nfs/dbraw/zinc/23/36/19/169233619.db2.gz SAZFDGCTPHZZEU-GFCCVEGCSA-N 1 2 190.290 1.957 10 0 ADAELO [NH3+]N1CCC[C@H]1C1CCCC1 77260838 169233623 /nfs/dbraw/zinc/23/36/23/169233623.db2.gz SMHNRKRTBXAFET-VIFPVBQESA-N 1 2 154.257 1.515 10 0 ADAELO [NH3+]N1CCC[C@@H]1C1CCCCC1 77263072 169233627 /nfs/dbraw/zinc/23/36/27/169233627.db2.gz RNCXBJGHWTXVBZ-SNVBAGLBSA-N 1 2 168.284 1.905 10 0 ADAELO [NH3+]N1CCC[C@@H]1Cc1ccc(F)cc1 77295396 169233631 /nfs/dbraw/zinc/23/36/31/169233631.db2.gz OJZQYRMZVAPZCU-LLVKDONJSA-N 1 2 194.253 1.706 10 0 ADAELO [NH3+]N1CCC[C@H]1COc1ccccc1 77276990 169233643 /nfs/dbraw/zinc/23/36/43/169233643.db2.gz PUUKZMLOMDWXOM-JTQLQIEISA-N 1 2 192.262 1.404 10 0 ADAELO [NH3+]N1CCCC[C@@H]1c1ccc[nH]1 77261769 169233657 /nfs/dbraw/zinc/23/36/57/169233657.db2.gz BQDIGUMHMQWNMC-SECBINFHSA-N 1 2 165.240 1.415 10 0 ADAELO [NH3+]N1CCC[C@H](c2ccncc2)C1 77266781 169233678 /nfs/dbraw/zinc/23/36/78/169233678.db2.gz VGSZWQBTXHOLCD-JTQLQIEISA-N 1 2 177.251 1.135 10 0 ADAELO [NH3+]N1CCC[C@@H](c2ccccc2)C1 77266346 169233706 /nfs/dbraw/zinc/23/37/06/169233706.db2.gz YTVPXEXOBVNUDY-LLVKDONJSA-N 1 2 176.263 1.740 10 0 ADAELO [NH3+]N1CCC[C@H](c2ccccn2)C1 77266761 169233712 /nfs/dbraw/zinc/23/37/12/169233712.db2.gz VRTAXHKGGAMUKU-VIFPVBQESA-N 1 2 177.251 1.135 10 0 ADAELO [NH3+]N1CCC[C@@H]1CCc1ccco1 77268412 169233722 /nfs/dbraw/zinc/23/37/22/169233722.db2.gz LXQNAMRFDICUHB-SECBINFHSA-N 1 2 180.251 1.550 10 0 ADAELO [NH3+]N1CCC[C@H]1C1CCCCC1 77263069 169233725 /nfs/dbraw/zinc/23/37/25/169233725.db2.gz RNCXBJGHWTXVBZ-JTQLQIEISA-N 1 2 168.284 1.905 10 0 ADAELO [NH3+]N1CCC[C@@H](c2ccccn2)C1 77266757 169233785 /nfs/dbraw/zinc/23/37/85/169233785.db2.gz VRTAXHKGGAMUKU-SECBINFHSA-N 1 2 177.251 1.135 10 0 ADAELO [NH3+]N1CCC(c2ccccc2F)CC1 77295410 169233800 /nfs/dbraw/zinc/23/38/00/169233800.db2.gz CLVUDHGJCYWCMR-UHFFFAOYSA-N 1 2 194.253 1.879 10 0 ADAELO [NH3+]N1CC[C@H](c2cccs2)C1 77263064 169233829 /nfs/dbraw/zinc/23/38/29/169233829.db2.gz DNCBGEQQZUITIM-ZETCQYMHSA-N 1 2 168.265 1.411 10 0 ADAELO [NH3+]N1CCCC[C@H]1c1ccc[nH]1 77261765 169233833 /nfs/dbraw/zinc/23/38/33/169233833.db2.gz BQDIGUMHMQWNMC-VIFPVBQESA-N 1 2 165.240 1.415 10 0 ADAELO [NH3+]N1CCO[C@H](c2ccccc2F)C1 71507292 169233840 /nfs/dbraw/zinc/23/38/40/169233840.db2.gz FBRBCPVWFYOHGG-JTQLQIEISA-N 1 2 196.225 1.073 10 0 ADAELO [NH3+]N1CCC[C@H](c2cccs2)C1 77270121 169233895 /nfs/dbraw/zinc/23/38/95/169233895.db2.gz JPZRGBWJLUMFOQ-QMMMGPOBSA-N 1 2 182.292 1.801 10 0 ADAELO [NH3+]N1CCC[C@@H](c2cccc(F)c2)C1 77295406 169233901 /nfs/dbraw/zinc/23/39/01/169233901.db2.gz CJAXRHKIOFRDAT-SNVBAGLBSA-N 1 2 194.253 1.879 10 0 ADAELO [NH3+]N1CCC(c2cccs2)CC1 77270126 169233929 /nfs/dbraw/zinc/23/39/29/169233929.db2.gz SWSFNFBZDGKEML-UHFFFAOYSA-N 1 2 182.292 1.801 10 0 ADAELO [NH3+]N1CCC[C@@H](c2ccncc2)C1 77266777 169233941 /nfs/dbraw/zinc/23/39/41/169233941.db2.gz VGSZWQBTXHOLCD-SNVBAGLBSA-N 1 2 177.251 1.135 10 0 ADAELO [NH3+]N1CCC[C@@H]1C1CCCC1 77260839 169233966 /nfs/dbraw/zinc/23/39/66/169233966.db2.gz SMHNRKRTBXAFET-SECBINFHSA-N 1 2 154.257 1.515 10 0 ADAELO [NH3+]N1CCC[C@H](c2ccccc2)C1 77266352 169233997 /nfs/dbraw/zinc/23/39/97/169233997.db2.gz YTVPXEXOBVNUDY-NSHDSACASA-N 1 2 176.263 1.740 10 0 ADAELO [NH3+]N1CCC[C@H](c2cccnc2)C1 77266770 169234004 /nfs/dbraw/zinc/23/40/04/169234004.db2.gz WGAAQRUXARMWPC-JTQLQIEISA-N 1 2 177.251 1.135 10 0 ADAELO [NH3+]N1CC[C@@H](c2ccccc2F)C1 77268326 169234008 /nfs/dbraw/zinc/23/40/08/169234008.db2.gz BRTROJGFTSPCSQ-MRVPVSSYSA-N 1 2 180.226 1.489 10 0 ADAELO [NH3+]N1CCC[C@@H](c2ccco2)C1 77261946 169234013 /nfs/dbraw/zinc/23/40/13/169234013.db2.gz UTXUSAMHEZKJBL-MRVPVSSYSA-N 1 2 166.224 1.333 10 0 ADAELO [NH3+]N1CCC2(CCCC2)CC1 34761540 169234019 /nfs/dbraw/zinc/23/40/19/169234019.db2.gz LRBYDBPZXUCRCM-UHFFFAOYSA-N 1 2 154.257 1.516 10 0 ADAELO [NH3+]N1CC[C@H](C2CCCCC2)C1 77263080 169234028 /nfs/dbraw/zinc/23/40/28/169234028.db2.gz DALQPACYMOFZRW-JTQLQIEISA-N 1 2 168.284 1.762 10 0 ADAELO [NH3+]N1CCC[C@H]1CCc1ccco1 77268409 169234066 /nfs/dbraw/zinc/23/40/66/169234066.db2.gz LXQNAMRFDICUHB-VIFPVBQESA-N 1 2 180.251 1.550 10 0 ADAELO [NH3+]N1C[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@H]2C1 72236091 169234068 /nfs/dbraw/zinc/23/40/68/169234068.db2.gz WTXSPWBNBRFVTR-UTINFBMNSA-N 1 2 164.252 1.004 10 0 ADAELO [NH3+]N1CC[C@@H](c2ccc(F)cc2)C1 77268332 169234079 /nfs/dbraw/zinc/23/40/79/169234079.db2.gz DNBWDZQHCMRPQU-SECBINFHSA-N 1 2 180.226 1.489 10 0 ADAELO [NH3+]N1CCCCCCC1 39342968 169234088 /nfs/dbraw/zinc/23/40/88/169234088.db2.gz YPOSHCOUCWHTEM-UHFFFAOYSA-N 1 2 128.219 1.126 10 0 ADAELO [NH3+]N1CCC[C@@H]1COc1ccccc1 77276994 169234104 /nfs/dbraw/zinc/23/41/04/169234104.db2.gz PUUKZMLOMDWXOM-SNVBAGLBSA-N 1 2 192.262 1.404 10 0 ADAELO [NH3+]N1CCC[C@@H](c2ccc(F)cc2)C1 77295403 169234108 /nfs/dbraw/zinc/23/41/08/169234108.db2.gz SHDXDLSJXHATPD-SNVBAGLBSA-N 1 2 194.253 1.879 10 0 ADAELO [NH3+]N1CCC[C@@H]1C1CCC1 77260275 169234128 /nfs/dbraw/zinc/23/41/28/169234128.db2.gz AHTKREHXYFANMY-MRVPVSSYSA-N 1 2 140.230 1.125 10 0 ADAELO [NH3+]N1CC[C@H](c2ccccc2F)C1 77268328 169234132 /nfs/dbraw/zinc/23/41/32/169234132.db2.gz BRTROJGFTSPCSQ-QMMMGPOBSA-N 1 2 180.226 1.489 10 0 ADAELO [NH3+]N1CCC[C@@H](c2ccccc2F)C1 77295398 169234135 /nfs/dbraw/zinc/23/41/35/169234135.db2.gz QHJMZDNOEMVOBY-SECBINFHSA-N 1 2 194.253 1.879 10 0 ADAELO [NH3+]N1CCC[C@H]1c1ccc[nH]1 77260630 169234140 /nfs/dbraw/zinc/23/41/40/169234140.db2.gz YNUGQKPLCLBJKV-QMMMGPOBSA-N 1 2 151.213 1.025 10 0 ADAELO [NH3+]N1CCC[C@@H]1c1ccc[nH]1 77260631 169234143 /nfs/dbraw/zinc/23/41/43/169234143.db2.gz YNUGQKPLCLBJKV-MRVPVSSYSA-N 1 2 151.213 1.025 10 0 ADAELO [NH3+]N1CCO[C@@H](c2cccc(F)c2)C1 71507297 169234145 /nfs/dbraw/zinc/23/41/45/169234145.db2.gz GVDCSICYTOQXNY-SNVBAGLBSA-N 1 2 196.225 1.073 10 0 ADAELO [NH3+]N1CCC[C@H]1Cc1ccc(F)cc1 77295395 169234156 /nfs/dbraw/zinc/23/41/56/169234156.db2.gz OJZQYRMZVAPZCU-NSHDSACASA-N 1 2 194.253 1.706 10 0 ADAELO [NH3+]N1CCC[C@@H](c2cccnc2)C1 77266764 169234160 /nfs/dbraw/zinc/23/41/60/169234160.db2.gz WGAAQRUXARMWPC-SNVBAGLBSA-N 1 2 177.251 1.135 10 0 ADAELO [NH3+]N1CCC[C@H](c2ccc(F)cc2)C1 77295405 169234163 /nfs/dbraw/zinc/23/41/63/169234163.db2.gz SHDXDLSJXHATPD-JTQLQIEISA-N 1 2 194.253 1.879 10 0 ADAELO [NH3+]N1CCO[C@@H](c2ccccc2F)C1 71507293 169234166 /nfs/dbraw/zinc/23/41/66/169234166.db2.gz FBRBCPVWFYOHGG-SNVBAGLBSA-N 1 2 196.225 1.073 10 0 ADAELO [NH3+]N1CC[C@H](c2ccc(F)cc2)C1 77268338 169234170 /nfs/dbraw/zinc/23/41/70/169234170.db2.gz DNBWDZQHCMRPQU-VIFPVBQESA-N 1 2 180.226 1.489 10 0 ADAELO [NH3+]N1CCC[C@H](c2cccc(F)c2)C1 77295408 169234177 /nfs/dbraw/zinc/23/41/77/169234177.db2.gz CJAXRHKIOFRDAT-JTQLQIEISA-N 1 2 194.253 1.879 10 0 ADAELO [NH3+]N1CCC(c2ccc(F)cc2)CC1 77295414 169234186 /nfs/dbraw/zinc/23/41/86/169234186.db2.gz VEDNBMITULAXMD-UHFFFAOYSA-N 1 2 194.253 1.879 10 0 ADAELO [NH3+]N1CCC(Cc2ccccc2)CC1 19172797 169234202 /nfs/dbraw/zinc/23/42/02/169234202.db2.gz DHRSVPGQRVCINA-UHFFFAOYSA-N 1 2 190.290 1.815 10 0 ADAELO [NH3+]N1CC[C@@H](c2cccs2)C1 77263062 169234213 /nfs/dbraw/zinc/23/42/13/169234213.db2.gz DNCBGEQQZUITIM-SSDOTTSWSA-N 1 2 168.265 1.411 10 0 ADAELO [NH3+]N1CC[C@H](c2ccccc2)C1 77261395 169234225 /nfs/dbraw/zinc/23/42/25/169234225.db2.gz BAUCFEFJELHXDP-JTQLQIEISA-N 1 2 162.236 1.350 10 0 ADAELO [NH3+]N1CCC[C@H]1C1CCC1 77260274 169234244 /nfs/dbraw/zinc/23/42/44/169234244.db2.gz AHTKREHXYFANMY-QMMMGPOBSA-N 1 2 140.230 1.125 10 0 ADAELO [NH3+]N1CCO[C@H](c2ccc(F)cc2)C1 71507294 169234282 /nfs/dbraw/zinc/23/42/82/169234282.db2.gz TUVBJXULEQQJJE-JTQLQIEISA-N 1 2 196.225 1.073 10 0 ADAELO [NH3+]N1CC[C@@H](c2ccccc2)C1 77261394 169234290 /nfs/dbraw/zinc/23/42/90/169234290.db2.gz BAUCFEFJELHXDP-SNVBAGLBSA-N 1 2 162.236 1.350 10 0 ADAELO [NH3+]N1CCC[C@H](c2ccccc2F)C1 77295401 169234305 /nfs/dbraw/zinc/23/43/05/169234305.db2.gz QHJMZDNOEMVOBY-VIFPVBQESA-N 1 2 194.253 1.879 10 0 ADAELO [NH3+]N1CCO[C@H](c2cccc(F)c2)C1 71507296 169234323 /nfs/dbraw/zinc/23/43/23/169234323.db2.gz GVDCSICYTOQXNY-JTQLQIEISA-N 1 2 196.225 1.073 10 0 ADAELO [NH3+]N1CC[C@H](c2cccc(F)c2)C1 77268348 169234348 /nfs/dbraw/zinc/23/43/48/169234348.db2.gz VDLYZWNWGOAFBC-VIFPVBQESA-N 1 2 180.226 1.489 10 0 ADAELO NNc1ccc(-c2[nH]cc[nH+]2)cc1 39132977 169237590 /nfs/dbraw/zinc/23/75/90/169237590.db2.gz AWKGDPSWXFOJBI-UHFFFAOYSA-N 1 2 174.207 1.362 10 0 ADAELO NNc1ccc(-n2cc[nH+]c2)cc1 39116549 169237637 /nfs/dbraw/zinc/23/76/37/169237637.db2.gz PXRDZRWNKJLXCG-UHFFFAOYSA-N 1 2 174.207 1.158 10 0 ADAELO NNc1ccc(Cn2cc[nH+]c2)cc1 34179970 169237690 /nfs/dbraw/zinc/23/76/90/169237690.db2.gz DHPBTACOBWAXJZ-UHFFFAOYSA-N 1 2 188.234 1.217 10 0 ADAELO NNc1cnc2cc(Cl)ccc2[nH+]1 75597283 169238250 /nfs/dbraw/zinc/23/82/50/169238250.db2.gz LPZLEECQQADSHY-UHFFFAOYSA-N 1 2 194.625 1.569 10 0 ADAELO NNc1nc(-c2ccsc2)cc[nH+]1 72417402 169238307 /nfs/dbraw/zinc/23/83/07/169238307.db2.gz NMFAOYABRVQXEB-UHFFFAOYSA-N 1 2 192.247 1.491 10 0 ADAELO NNc1[nH]cc(-c2ccc(O)cc2)[nH+]1 96675265 169238485 /nfs/dbraw/zinc/23/84/85/169238485.db2.gz CDJYQLFGLORUMA-UHFFFAOYSA-N 1 2 190.206 1.068 10 0 ADAELO NNc1ncc(-c2ccccc2)c[nH+]1 34240047 169238845 /nfs/dbraw/zinc/23/88/45/169238845.db2.gz LMFJCTVBDCMPAI-UHFFFAOYSA-N 1 2 186.218 1.429 10 0 ADAELO NNc1cnc2cc(F)ccc2[nH+]1 75568197 169239098 /nfs/dbraw/zinc/23/90/98/169239098.db2.gz FUTGOEAFXOXKNE-UHFFFAOYSA-N 1 2 178.170 1.055 10 0 ADAELO NNc1cnc(-c2ccccc2)c[nH+]1 39419607 169239195 /nfs/dbraw/zinc/23/91/95/169239195.db2.gz MHTNEGXFDFQNIX-UHFFFAOYSA-N 1 2 186.218 1.429 10 0 ADAELO NNc1[nH+]ccnc1-c1ccccc1 39419608 169239965 /nfs/dbraw/zinc/23/99/65/169239965.db2.gz YRZZTHXOAMZZJG-UHFFFAOYSA-N 1 2 186.218 1.429 10 0 ADAELO [NH3+][C@@H](c1ncn[nH]1)C1CCCCC1 42040797 169248883 /nfs/dbraw/zinc/24/88/83/169248883.db2.gz VEHXVKLTSYSREJ-MRVPVSSYSA-N 1 2 180.255 1.385 10 0 ADAELO [NH3+][C@@H](c1ccsc1)c1ncon1 36762031 169248893 /nfs/dbraw/zinc/24/88/93/169248893.db2.gz UAAXXDWGBCFCGJ-LURJTMIESA-N 1 2 181.220 1.179 10 0 ADAELO [NH3+][C@@H](c1ncon1)c1cccs1 41672975 169248957 /nfs/dbraw/zinc/24/89/57/169248957.db2.gz IZJBYDIUCBABFQ-ZCFIWIBFSA-N 1 2 181.220 1.179 10 0 ADAELO [NH3+][C@@H](c1ccc(F)cc1)c1nnco1 83341887 169249030 /nfs/dbraw/zinc/24/90/30/169249030.db2.gz YUTORFZCKGVTAY-QMMMGPOBSA-N 1 2 193.181 1.257 10 0 ADAELO [NH3+][C@@H](c1cscn1)c1ccco1 62356786 169249178 /nfs/dbraw/zinc/24/91/78/169249178.db2.gz VZGFJJIRUKUPRK-QMMMGPOBSA-N 1 2 180.232 1.784 10 0 ADAELO [NH3+][C@@H](c1ccccc1)c1nnco1 19676444 169249425 /nfs/dbraw/zinc/24/94/25/169249425.db2.gz AYUBTUXBTNQTHD-QMMMGPOBSA-N 1 2 175.191 1.118 10 0 ADAELO [NH3+][C@@H](c1cccc(F)c1)c1nnco1 83341891 169249536 /nfs/dbraw/zinc/24/95/36/169249536.db2.gz KKOQRVNTODASGH-QMMMGPOBSA-N 1 2 193.181 1.257 10 0 ADAELO [NH3+][C@@H](c1ccccc1)c1ncco1 82529310 169249631 /nfs/dbraw/zinc/24/96/31/169249631.db2.gz PNTDTPUECVLIQT-VIFPVBQESA-N 1 2 174.203 1.723 10 0 ADAELO [NH3+][C@@H](c1ccncc1)c1ncco1 75871656 169249800 /nfs/dbraw/zinc/24/98/00/169249800.db2.gz ORLFOPKYGCXZKK-QMMMGPOBSA-N 1 2 175.191 1.118 10 0 ADAELO [NH3+][C@@H](c1ccccn1)c1nccs1 19930129 169249915 /nfs/dbraw/zinc/24/99/15/169249915.db2.gz SQUUHQDUFWRUGE-QMMMGPOBSA-N 1 2 191.259 1.586 10 0 ADAELO [NH3+][C@@H](c1ncon1)c1ccccc1F 36762086 169249936 /nfs/dbraw/zinc/24/99/36/169249936.db2.gz ODDNELPNGOONFE-MRVPVSSYSA-N 1 2 193.181 1.257 10 0 ADAELO [NH3+][C@@H](c1cccc(F)c1)c1ncon1 36762036 169250085 /nfs/dbraw/zinc/25/00/85/169250085.db2.gz DWMGGOAYFNKDAF-QMMMGPOBSA-N 1 2 193.181 1.257 10 0 ADAELO [NH3+][C@@H](c1ccccc1)c1ncno1 40454042 169250099 /nfs/dbraw/zinc/25/00/99/169250099.db2.gz ORORHGBCOQHHLC-QMMMGPOBSA-N 1 2 175.191 1.118 10 0 ADAELO [NH3+][C@@H](c1ccco1)c1nccs1 11822551 169250113 /nfs/dbraw/zinc/25/01/13/169250113.db2.gz LLARDIMSZOYOHF-ZETCQYMHSA-N 1 2 180.232 1.784 10 0 ADAELO [NH3+][C@@H](c1ccccc1)[C@H]1C=CC(=O)O1 90569148 169250126 /nfs/dbraw/zinc/25/01/26/169250126.db2.gz DVOFOTOWYSYDDQ-KOLCDFICSA-N 1 2 189.214 1.168 10 0 ADAELO [NH3+][C@@H](c1nnco1)c1ccccc1F 83341890 169250142 /nfs/dbraw/zinc/25/01/42/169250142.db2.gz SRQNEBUTSLPQBV-MRVPVSSYSA-N 1 2 193.181 1.257 10 0 ADAELO [NH3+][C@@H]1CCC[C@@H](N2CC(=O)C=N2)C1 82395796 169253055 /nfs/dbraw/zinc/25/30/55/169253055.db2.gz VYLBXTQUYYTICY-HTQZYQBOSA-N 1 2 181.239 1.031 10 0 ADAELO [NH3+][C@@H]1CCC[C@H](N2CC(=O)C=N2)C1 82395797 169253421 /nfs/dbraw/zinc/25/34/21/169253421.db2.gz VYLBXTQUYYTICY-SFYZADRCSA-N 1 2 181.239 1.031 10 0 ADAELO [NH3+][C@@H]1Nc2ccccc2S1 34227264 169259262 /nfs/dbraw/zinc/25/92/62/169259262.db2.gz PVOBHWZVXBTENP-SSDOTTSWSA-N 1 2 152.222 1.447 10 0 ADAELO [NH3+][C@@H]1Oc2cc(F)ccc2S1 12375135 169261031 /nfs/dbraw/zinc/26/10/31/169261031.db2.gz BIUHNLBWMRFPCF-SSDOTTSWSA-N 1 2 171.196 1.553 10 0 ADAELO [NH3+][C@@]1(Cl)CCc2ccccc21 98089791 169261804 /nfs/dbraw/zinc/26/18/04/169261804.db2.gz ARYUBFXXBCWOBP-VIFPVBQESA-N 1 2 167.639 1.983 10 0 ADAELO [NH3+][C@H](c1cscn1)c1ccco1 62356784 169269115 /nfs/dbraw/zinc/26/91/15/169269115.db2.gz VZGFJJIRUKUPRK-MRVPVSSYSA-N 1 2 180.232 1.784 10 0 ADAELO [NH3+][C@H](c1ccccc1)c1nnco1 19676445 169269204 /nfs/dbraw/zinc/26/92/04/169269204.db2.gz AYUBTUXBTNQTHD-MRVPVSSYSA-N 1 2 175.191 1.118 10 0 ADAELO [NH3+][C@H](c1ccc(F)cc1)c1nnco1 83341888 169269359 /nfs/dbraw/zinc/26/93/59/169269359.db2.gz YUTORFZCKGVTAY-MRVPVSSYSA-N 1 2 193.181 1.257 10 0 ADAELO [NH3+][C@H](c1cccc(F)c1)c1nnco1 83341892 169269427 /nfs/dbraw/zinc/26/94/27/169269427.db2.gz KKOQRVNTODASGH-MRVPVSSYSA-N 1 2 193.181 1.257 10 0 ADAELO [NH3+][C@H](c1ncn[nH]1)C1CCCCC1 42040800 169269502 /nfs/dbraw/zinc/26/95/02/169269502.db2.gz VEHXVKLTSYSREJ-QMMMGPOBSA-N 1 2 180.255 1.385 10 0 ADAELO [NH3+][C@H](c1ccccn1)c1nccs1 19930131 169269516 /nfs/dbraw/zinc/26/95/16/169269516.db2.gz SQUUHQDUFWRUGE-MRVPVSSYSA-N 1 2 191.259 1.586 10 0 ADAELO [NH3+][C@H](c1ccsc1)c1ncon1 36762032 169269522 /nfs/dbraw/zinc/26/95/22/169269522.db2.gz UAAXXDWGBCFCGJ-ZCFIWIBFSA-N 1 2 181.220 1.179 10 0 ADAELO [NH3+][C@H](c1ncon1)c1cccs1 41672972 169269572 /nfs/dbraw/zinc/26/95/72/169269572.db2.gz IZJBYDIUCBABFQ-LURJTMIESA-N 1 2 181.220 1.179 10 0 ADAELO [NH3+][C@H](c1ccco1)c1nccs1 11822555 169269574 /nfs/dbraw/zinc/26/95/74/169269574.db2.gz LLARDIMSZOYOHF-SSDOTTSWSA-N 1 2 180.232 1.784 10 0 ADAELO [NH3+][C@H](c1ccccc1)c1ncno1 40454043 169269762 /nfs/dbraw/zinc/26/97/62/169269762.db2.gz ORORHGBCOQHHLC-MRVPVSSYSA-N 1 2 175.191 1.118 10 0 ADAELO [NH3+][C@H](c1ncon1)c1ccccc1F 36762085 169269771 /nfs/dbraw/zinc/26/97/71/169269771.db2.gz ODDNELPNGOONFE-QMMMGPOBSA-N 1 2 193.181 1.257 10 0 ADAELO [NH3+][C@H](c1ccncc1)c1ncco1 75871657 169269874 /nfs/dbraw/zinc/26/98/74/169269874.db2.gz ORLFOPKYGCXZKK-MRVPVSSYSA-N 1 2 175.191 1.118 10 0 ADAELO [NH3+][C@H](c1nnco1)c1ccccc1F 83341889 169269890 /nfs/dbraw/zinc/26/98/90/169269890.db2.gz SRQNEBUTSLPQBV-QMMMGPOBSA-N 1 2 193.181 1.257 10 0 ADAELO [NH3+][C@H](c1cccc(F)c1)c1ncon1 36762037 169270219 /nfs/dbraw/zinc/27/02/19/169270219.db2.gz DWMGGOAYFNKDAF-MRVPVSSYSA-N 1 2 193.181 1.257 10 0 ADAELO [NH3+][C@H](c1ccccc1)c1ncco1 82529311 169270342 /nfs/dbraw/zinc/27/03/42/169270342.db2.gz PNTDTPUECVLIQT-SECBINFHSA-N 1 2 174.203 1.723 10 0 ADAELO [NH3+][C@H]1CCC[C@@H](N2CC(=O)C=N2)C1 82395794 169273161 /nfs/dbraw/zinc/27/31/61/169273161.db2.gz 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/nfs/dbraw/zinc/28/25/19/169282519.db2.gz GNLVCEORRJUVOZ-UHFFFAOYSA-N 1 2 169.134 1.423 10 0 ADAELO Nc1c(F)cc(F)c2[nH]c[nH+]c12 1671382 169282520 /nfs/dbraw/zinc/28/25/20/169282520.db2.gz GNLVCEORRJUVOZ-UHFFFAOYSA-N 1 2 169.134 1.423 10 0 ADAELO Nc1c2c([nH+]c3ccccc13)CCC2=O 34192591 169282569 /nfs/dbraw/zinc/28/25/69/169282569.db2.gz LKWKQKKNFMIICA-UHFFFAOYSA-N 1 2 198.225 1.946 10 0 ADAELO Nc1c(F)ccc2cc[nH+]cc12 82404894 169282649 /nfs/dbraw/zinc/28/26/49/169282649.db2.gz ZYSXSMNEQQKEKU-UHFFFAOYSA-N 1 2 162.167 1.956 10 0 ADAELO Nc1c(F)cccc1-n1cc[nH+]c1 37419912 169282754 /nfs/dbraw/zinc/28/27/54/169282754.db2.gz PNTGETHFKHVXNA-UHFFFAOYSA-N 1 2 177.182 1.594 10 0 ADAELO Nc1c(F)c[nH+]cc1OC1CC1 95737424 169282979 /nfs/dbraw/zinc/28/29/79/169282979.db2.gz RVCIGHYZMYSVRI-UHFFFAOYSA-N 1 2 168.171 1.344 10 0 ADAELO Nc1c(Cl)ccc2[nH+]ccn12 95929988 169283461 /nfs/dbraw/zinc/28/34/61/169283461.db2.gz SUROYTSTGJWUBL-UHFFFAOYSA-N 1 2 167.599 1.570 10 0 ADAELO Nc1cc(-c2cccs2)[nH+]c(N)n1 44263053 169283726 /nfs/dbraw/zinc/28/37/26/169283726.db2.gz ONGOFOASKBSIAI-UHFFFAOYSA-N 1 2 192.247 1.370 10 0 ADAELO Nc1c[nH]c(-c2ccccc2)[nH+]1 34412740 169283754 /nfs/dbraw/zinc/28/37/54/169283754.db2.gz MOJYDLJMKAMQDC-UHFFFAOYSA-N 1 2 159.192 1.659 10 0 in-vitro ADAELO Nc1cc(-c2ccoc2)cc[nH+]1 44120392 169283853 /nfs/dbraw/zinc/28/38/53/169283853.db2.gz AWTMICDNJMIDOL-UHFFFAOYSA-N 1 2 160.176 1.924 10 0 ADAELO Nc1cc(-c2c[nH]c(=S)[nH]2)cc[nH+]1 39407687 169283913 /nfs/dbraw/zinc/28/39/13/169283913.db2.gz HYLVCHUWYCTUIP-UHFFFAOYSA-N 1 2 192.247 1.716 10 0 ADAELO Nc1cc(-n2cc[nH+]c2)ccc1F 82398452 169283922 /nfs/dbraw/zinc/28/39/22/169283922.db2.gz UKWYHMAKEOUXDP-UHFFFAOYSA-N 1 2 177.182 1.594 10 0 ADAELO Nc1cc(-c2cncnc2)cc[nH+]1 44118762 169284038 /nfs/dbraw/zinc/28/40/38/169284038.db2.gz QYBZHDZJZMLYBA-UHFFFAOYSA-N 1 2 172.191 1.121 10 0 ADAELO Nc1cc(-c2cc[nH+]c(N)c2)ccn1 39168702 169284094 /nfs/dbraw/zinc/28/40/94/169284094.db2.gz ZYRCSFAMFIQCHY-UHFFFAOYSA-N 1 2 186.218 1.308 10 0 ADAELO Nc1cc(-c2ccccn2)cc[nH+]1 44118731 169284173 /nfs/dbraw/zinc/28/41/73/169284173.db2.gz GEJUQAICLZPAQH-UHFFFAOYSA-N 1 2 171.203 1.726 10 0 ADAELO Nc1cc(-c2c[nH]c[nH+]2)ccn1 39407691 169284239 /nfs/dbraw/zinc/28/42/39/169284239.db2.gz ZKOZWRBHSTYXHH-UHFFFAOYSA-N 1 2 160.180 1.054 10 0 ADAELO Nc1cc(CO)c2ccccc2[nH+]1 95627166 169285371 /nfs/dbraw/zinc/28/53/71/169285371.db2.gz JJIMUFJFSKVPES-UHFFFAOYSA-N 1 2 174.203 1.309 10 0 ADAELO Nc1cc(COCC2CC2)cc[nH+]1 52755226 169285448 /nfs/dbraw/zinc/28/54/48/169285448.db2.gz GHHKOEIZDHOGRZ-UHFFFAOYSA-N 1 2 178.235 1.590 10 0 ADAELO Nc1cc(COC2CCC2)cc[nH+]1 52755583 169285468 /nfs/dbraw/zinc/28/54/68/169285468.db2.gz CXCDFLULTICUGA-UHFFFAOYSA-N 1 2 178.235 1.733 10 0 ADAELO Nc1cc(F)c(OC2CC2)c[nH+]1 95737573 169286083 /nfs/dbraw/zinc/28/60/83/169286083.db2.gz NRGTZBRTVMIDCE-UHFFFAOYSA-N 1 2 168.171 1.344 10 0 ADAELO Nc1cc(OC2CC2)c(Cl)c[nH+]1 95737409 169287394 /nfs/dbraw/zinc/28/73/94/169287394.db2.gz NTQIXTOFRURDSS-UHFFFAOYSA-N 1 2 184.626 1.858 10 0 ADAELO Nc1cc([C@@H]2CCCO2)cc[nH+]1 72193271 169287449 /nfs/dbraw/zinc/28/74/49/169287449.db2.gz CTIMBQWZPALUJI-QMMMGPOBSA-N 1 2 164.208 1.515 10 0 ADAELO Nc1cc([C@H]2CCCO2)cc[nH+]1 72193272 169287629 /nfs/dbraw/zinc/28/76/29/169287629.db2.gz CTIMBQWZPALUJI-MRVPVSSYSA-N 1 2 164.208 1.515 10 0 ADAELO Nc1cc(N)c2c([NH3+])ccc(N)c2c1 62719667 169287792 /nfs/dbraw/zinc/28/77/92/169287792.db2.gz NZVFZLARCLKBMQ-UHFFFAOYSA-N 1 2 188.234 1.169 10 0 ADAELO Nc1cc(OC2CC2)cc(C=O)[nH+]1 95741694 169287836 /nfs/dbraw/zinc/28/78/36/169287836.db2.gz DYSLFFLFAZZNPT-UHFFFAOYSA-N 1 2 178.191 1.018 10 0 ADAELO Nc1cc([NH3+])c2ccccc2c1N 62718510 169288145 /nfs/dbraw/zinc/28/81/45/169288145.db2.gz JSWBUUPUOICKQC-UHFFFAOYSA-N 1 2 173.219 1.586 10 0 ADAELO Nc1cc2c(cc1Cl)[NH2+]CC2 82401683 169288542 /nfs/dbraw/zinc/28/85/42/169288542.db2.gz NSYCECRZDFYDAV-UHFFFAOYSA-N 1 2 168.627 1.890 10 0 ADAELO Nc1cc2c(cc1O)[NH2+]CCC2 82404263 169288587 /nfs/dbraw/zinc/28/85/87/169288587.db2.gz OGFSWPNJAXIFRN-UHFFFAOYSA-N 1 2 164.208 1.333 10 0 ADAELO [NH3+]c1cc2c(cc1O)NCCC2 82404263 169288589 /nfs/dbraw/zinc/28/85/89/169288589.db2.gz OGFSWPNJAXIFRN-UHFFFAOYSA-N 1 2 164.208 1.333 10 0 ADAELO Nc1cc2c(cc1O)CCC[NH2+]2 82404291 169288778 /nfs/dbraw/zinc/28/87/78/169288778.db2.gz JCDYUTKNMFZFPK-UHFFFAOYSA-N 1 2 164.208 1.333 10 0 ADAELO [NH3+]c1cc2c3c(c1)CCN3CCC2 95882495 169288793 /nfs/dbraw/zinc/28/87/93/169288793.db2.gz HXLIXTQXRDVYHV-UHFFFAOYSA-N 1 2 174.247 1.578 10 0 ADAELO Nc1ccc(-c2ccc(N)[nH+]c2)cn1 44121302 169289557 /nfs/dbraw/zinc/28/95/57/169289557.db2.gz VPPPMFUBSHSHJN-UHFFFAOYSA-N 1 2 186.218 1.308 10 0 ADAELO Nc1ccc(-c2ccc(=O)[nH]c2)c[nH+]1 44121307 169289574 /nfs/dbraw/zinc/28/95/74/169289574.db2.gz JKPRGQRRKXKNTB-UHFFFAOYSA-N 1 2 187.202 1.019 10 0 ADAELO Nc1ccc(-n2cc[nH+]c2)cc1F 33992227 169289635 /nfs/dbraw/zinc/28/96/35/169289635.db2.gz RWIQIDNLVXTSSY-UHFFFAOYSA-N 1 2 177.182 1.594 10 0 ADAELO Nc1ccc(-c2cncc(F)c2)c[nH+]1 52886388 169289784 /nfs/dbraw/zinc/28/97/84/169289784.db2.gz GSEIMAJVHDTUOD-UHFFFAOYSA-N 1 2 189.193 1.865 10 0 ADAELO Nc1ccc(-c2cccc(N)[nH+]2)cc1 82730010 169289832 /nfs/dbraw/zinc/28/98/32/169289832.db2.gz SNLDVYVHPIBZKQ-UHFFFAOYSA-N 1 2 185.230 1.913 10 0 ADAELO Nc1ccc(-n2cc(Cl)cn2)c[nH+]1 38053162 169289939 /nfs/dbraw/zinc/28/99/39/169289939.db2.gz CJOYYUSYEHCZLM-UHFFFAOYSA-N 1 2 194.625 1.503 10 0 ADAELO Nc1ccc(-c2ccncc2)[nH+]c1N 39343998 169290011 /nfs/dbraw/zinc/29/00/11/169290011.db2.gz LQJOETKMZNAYNK-UHFFFAOYSA-N 1 2 186.218 1.308 10 0 ADAELO Nc1ccc(-c2ccc[nH+]c2N)cc1 82729952 169290050 /nfs/dbraw/zinc/29/00/50/169290050.db2.gz OFCAZPDWONZCDL-UHFFFAOYSA-N 1 2 185.230 1.913 10 0 ADAELO Nc1ccc(-c2cscn2)c[nH+]1 44121091 169290079 /nfs/dbraw/zinc/29/00/79/169290079.db2.gz BLUVHNUKFHZAAH-UHFFFAOYSA-N 1 2 177.232 1.787 10 0 ADAELO Nc1ccc(-c2[nH]cc[nH+]2)cc1N 78685338 169290095 /nfs/dbraw/zinc/29/00/95/169290095.db2.gz JNAWJWDZPDGUCJ-UHFFFAOYSA-N 1 2 174.207 1.241 10 0 ADAELO Nc1ccc(-c2ccoc2)c[nH+]1 44121181 169290274 /nfs/dbraw/zinc/29/02/74/169290274.db2.gz GFNPPRHIFLDJQG-UHFFFAOYSA-N 1 2 160.176 1.924 10 0 ADAELO Nc1ccc(-c2cc[nH]n2)c[nH+]1 90599907 169290304 /nfs/dbraw/zinc/29/03/04/169290304.db2.gz FWJHVMKDVZPNIW-UHFFFAOYSA-N 1 2 160.180 1.054 10 0 ADAELO Nc1ccc(-c2cn[nH]c2)c[nH+]1 75878023 169290361 /nfs/dbraw/zinc/29/03/61/169290361.db2.gz RQOSDWMCNAMIQM-UHFFFAOYSA-N 1 2 160.180 1.054 10 0 ADAELO Nc1ccc(-c2[nH]cc[nH+]2)c(F)c1 43571262 169290372 /nfs/dbraw/zinc/29/03/72/169290372.db2.gz FTDNGVDEYRDOFZ-UHFFFAOYSA-N 1 2 177.182 1.798 10 0 ADAELO Nc1ccc(-c2cccnc2F)c[nH+]1 75878110 169290408 /nfs/dbraw/zinc/29/04/08/169290408.db2.gz BJOKIROTHJLRKZ-UHFFFAOYSA-N 1 2 189.193 1.865 10 0 ADAELO Nc1ccc(-c2ccccc2N)c[nH+]1 44121251 169290498 /nfs/dbraw/zinc/29/04/98/169290498.db2.gz QIUFQNWDLQMZLX-UHFFFAOYSA-N 1 2 185.230 1.913 10 0 ADAELO Nc1ccc(-c2[nH]cc[nH+]2)cn1 75878192 169290613 /nfs/dbraw/zinc/29/06/13/169290613.db2.gz KGUKTFUOUATXSL-UHFFFAOYSA-N 1 2 160.180 1.054 10 0 ADAELO Nc1ccc(C2=CCOCC2)c[nH+]1 165926487 169291015 /nfs/dbraw/zinc/29/10/15/169291015.db2.gz OVHZBGRLQUSBNX-UHFFFAOYSA-N 1 2 176.219 1.468 10 0 ADAELO Nc1ccc(COC2CCC2)c[nH+]1 50833284 169291276 /nfs/dbraw/zinc/29/12/76/169291276.db2.gz FUNKAGBYBUVRDW-UHFFFAOYSA-N 1 2 178.235 1.733 10 0 ADAELO Nc1ccc([NH2+]CCCO)c(F)c1 37383135 169292222 /nfs/dbraw/zinc/29/22/22/169292222.db2.gz ZVJUEDJZZRHKFZ-UHFFFAOYSA-N 1 2 184.214 1.202 10 0 ADAELO Nc1ccc(OC[C@@H]2CCCO2)c[nH+]1 19869221 169292465 /nfs/dbraw/zinc/29/24/65/169292465.db2.gz AYQMRCQTSOCGLT-VIFPVBQESA-N 1 2 194.234 1.222 10 0 ADAELO Nc1ccc(OCc2ccco2)c[nH+]1 19868926 169292564 /nfs/dbraw/zinc/29/25/64/169292564.db2.gz HVKXVOYZSYSVPB-UHFFFAOYSA-N 1 2 190.202 1.836 10 0 ADAELO Nc1ccc(OC[C@H]2CCOC2)c[nH+]1 49688377 169292759 /nfs/dbraw/zinc/29/27/59/169292759.db2.gz RLFZVBVJFMEZPC-QMMMGPOBSA-N 1 2 194.234 1.079 10 0 ADAELO Nc1ccc(NCC(F)(F)F)c[nH+]1 20383253 169292974 /nfs/dbraw/zinc/29/29/74/169292974.db2.gz XCACTEOIVDRVDJ-UHFFFAOYSA-N 1 2 191.156 1.638 10 0 ADAELO Nc1ccc(OC[C@H]2CCCO2)c[nH+]1 19869223 169293055 /nfs/dbraw/zinc/29/30/55/169293055.db2.gz AYQMRCQTSOCGLT-SECBINFHSA-N 1 2 194.234 1.222 10 0 ADAELO Nc1ccc(OCC2CC2)c[nH+]1 19870506 169293086 /nfs/dbraw/zinc/29/30/86/169293086.db2.gz PGKPKGLXAPVTFI-UHFFFAOYSA-N 1 2 164.208 1.453 10 0 ADAELO Nc1ccc(O)c2cc[nH+]cc12 35333253 169293182 /nfs/dbraw/zinc/29/31/82/169293182.db2.gz BCIFJDGSMDSLLM-UHFFFAOYSA-N 1 2 160.176 1.523 10 0 ADAELO Nc1ccc(OCC(F)(F)F)c[nH+]1 19868922 169293194 /nfs/dbraw/zinc/29/31/94/169293194.db2.gz KZPQLYYXBRUQRD-UHFFFAOYSA-N 1 2 192.140 1.605 10 0 ADAELO Nc1ccc(OC2CCOCC2)c[nH+]1 40887163 169293223 /nfs/dbraw/zinc/29/32/23/169293223.db2.gz PSRLFNWTVAVWJM-UHFFFAOYSA-N 1 2 194.234 1.222 10 0 ADAELO Nc1ccc(OC[C@@H]2CCOC2)c[nH+]1 49688376 169293288 /nfs/dbraw/zinc/29/32/88/169293288.db2.gz RLFZVBVJFMEZPC-MRVPVSSYSA-N 1 2 194.234 1.079 10 0 ADAELO Nc1ccc(OC2CCC2)c[nH+]1 50519022 169293298 /nfs/dbraw/zinc/29/32/98/169293298.db2.gz KEEYWIYDPRFYAK-UHFFFAOYSA-N 1 2 164.208 1.595 10 0 ADAELO Nc1ccc([C@@H]2CCCO2)c[nH+]1 72193299 169293523 /nfs/dbraw/zinc/29/35/23/169293523.db2.gz ATVRWGLXENBWCO-QMMMGPOBSA-N 1 2 164.208 1.515 10 0 ADAELO Nc1ccc(SCCCO)c[nH+]1 37116119 169293677 /nfs/dbraw/zinc/29/36/77/169293677.db2.gz LZNSLVVUNOIOCY-UHFFFAOYSA-N 1 2 184.264 1.138 10 0 ADAELO Nc1ccc([C@H]2CCCO2)c[nH+]1 72193300 169293753 /nfs/dbraw/zinc/29/37/53/169293753.db2.gz ATVRWGLXENBWCO-MRVPVSSYSA-N 1 2 164.208 1.515 10 0 ADAELO Nc1ccc(SCCCCO)c[nH+]1 43445796 169294077 /nfs/dbraw/zinc/29/40/77/169294077.db2.gz GZXOHNIDLHJNRC-UHFFFAOYSA-N 1 2 198.291 1.528 10 0 ADAELO Nc1ccc2ccc[nH+]c2c1N 39119814 169294289 /nfs/dbraw/zinc/29/42/89/169294289.db2.gz UUCNOUOCQLCWFP-UHFFFAOYSA-N 1 2 159.192 1.399 10 0 ADAELO Nc1ccc2c(c1)CC[N@H+]2CCCO 43444327 169294606 /nfs/dbraw/zinc/29/46/06/169294606.db2.gz LHDDKNWHBMGPEH-UHFFFAOYSA-N 1 2 192.262 1.014 10 0 ADAELO Nc1ccc2c(c1)CC[N@@H+]2CCCO 43444327 169294607 /nfs/dbraw/zinc/29/46/07/169294607.db2.gz LHDDKNWHBMGPEH-UHFFFAOYSA-N 1 2 192.262 1.014 10 0 ADAELO [NH3+]c1ccc2c(c1)CCN2CCCO 43444327 169294609 /nfs/dbraw/zinc/29/46/09/169294609.db2.gz LHDDKNWHBMGPEH-UHFFFAOYSA-N 1 2 192.262 1.014 10 0 ADAELO Nc1ccc2cc(O)ccc2[nH+]1 44185152 169295030 /nfs/dbraw/zinc/29/50/30/169295030.db2.gz SJKBCVLWQMQCOZ-UHFFFAOYSA-N 1 2 160.176 1.523 10 0 in-vitro ADAELO Nc1ccc2c(c1)[nH+]c1cc[nH]n12 45238612 169295157 /nfs/dbraw/zinc/29/51/57/169295157.db2.gz ACOXSMSVAVKLFI-UHFFFAOYSA-N 1 2 172.191 1.398 10 0 ADAELO Nc1cccc(-c2ccc[nH+]c2N)c1 82729951 169295356 /nfs/dbraw/zinc/29/53/56/169295356.db2.gz LBEKKGYQZRAUOI-UHFFFAOYSA-N 1 2 185.230 1.913 10 0 ADAELO Nc1cccc(-n2cc[nH+]c2)c1F 75843662 169295450 /nfs/dbraw/zinc/29/54/50/169295450.db2.gz MBAYCVVYTXKQKA-UHFFFAOYSA-N 1 2 177.182 1.594 10 0 ADAELO Nc1cccc(-c2cc[nH+]c(N)c2)c1 82729970 169295561 /nfs/dbraw/zinc/29/55/61/169295561.db2.gz YAKAJBHWKMXMMQ-UHFFFAOYSA-N 1 2 185.230 1.913 10 0 ADAELO Nc1cccc(-c2ccc(N)[nH+]c2)c1 44121265 169295885 /nfs/dbraw/zinc/29/58/85/169295885.db2.gz VFIDYXVNXZIHOL-UHFFFAOYSA-N 1 2 185.230 1.913 10 0 ADAELO Nc1cccc(-n2cccc2)[nH+]1 72192466 169296153 /nfs/dbraw/zinc/29/61/53/169296153.db2.gz NVCPHSLDIGERER-UHFFFAOYSA-N 1 2 159.192 1.455 10 0 ADAELO Nc1cccc(OCc2[nH]cc[nH+]2)c1 82530213 169296259 /nfs/dbraw/zinc/29/62/59/169296259.db2.gz HZNTWRISYVXONJ-UHFFFAOYSA-N 1 2 189.218 1.571 10 0 ADAELO Nc1cccc(CC(F)(F)F)[nH+]1 95774367 169296528 /nfs/dbraw/zinc/29/65/28/169296528.db2.gz IGSZOJHZNMNIRM-UHFFFAOYSA-N 1 2 176.141 1.769 10 0 ADAELO Nc1cccc(Cc2c[nH]c[nH+]2)c1 104397971 169296743 /nfs/dbraw/zinc/29/67/43/169296743.db2.gz UPHNYQZOJVXYOF-UHFFFAOYSA-N 1 2 173.219 1.583 10 0 ADAELO Nc1cccc2c[nH+]cc(N)c12 34189545 169297620 /nfs/dbraw/zinc/29/76/20/169297620.db2.gz GTLMOPKLVYFYNR-UHFFFAOYSA-N 1 2 159.192 1.399 10 0 ADAELO Nc1ccccc1OCc1[nH]cc[nH+]1 82530214 169298421 /nfs/dbraw/zinc/29/84/21/169298421.db2.gz ZPHFHNYLTUZDQF-UHFFFAOYSA-N 1 2 189.218 1.571 10 0 ADAELO Nc1ccccc1CCn1cc[nH+]c1 52918763 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184.283 1.343 10 0 ADAELO CCCN1C(=O)[C@@](C)(CC)[NH2+][C@@H]1C 139567880 343995347 /nfs/dbraw/zinc/99/53/47/343995347.db2.gz LCZAWOIEZAPAJD-WCBMZHEXSA-N 1 2 184.283 1.343 10 0 ADAELO FC(F)C[NH+]1CCCCC1 139588846 343995403 /nfs/dbraw/zinc/99/54/03/343995403.db2.gz DOQYGSXVGZSQTO-UHFFFAOYSA-N 1 2 149.184 1.737 10 0 ADAELO CC[C@H]1[NH2+][C@](C)(CC)C(=O)N1CC 138878400 343990945 /nfs/dbraw/zinc/99/09/45/343990945.db2.gz VSCNVRHRHDIHKV-WCBMZHEXSA-N 1 2 184.283 1.343 10 0 ADAELO CC[C@H](C)N1C(=O)C2(CC2)[NH2+][C@@H]1CC 138827727 343991062 /nfs/dbraw/zinc/99/10/62/343991062.db2.gz PNUXLCBWKISCSG-IUCAKERBSA-N 1 2 196.294 1.485 10 0 ADAELO Cc1cn(-c2ccc(N)c(N)c2)c[nH+]1 140886626 344002641 /nfs/dbraw/zinc/00/26/41/344002641.db2.gz DMRSRSHTYXWBPC-UHFFFAOYSA-N 1 2 188.234 1.345 10 0 ADAELO CC(C)[C@H]1[NH2+]CN(CC2CCC2)C1=O 141148263 344004326 /nfs/dbraw/zinc/00/43/26/344004326.db2.gz DNHJFLUEPQJHPS-SNVBAGLBSA-N 1 2 196.294 1.200 10 0 ADAELO CC(C)[C@@H]1[NH2+]CN(CC(C)(C)C)C1=O 142760920 344014288 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10 0 ADAELO CCCc1[nH+]ccc2[nH]c(=O)ccc12 13731300 171028384 /nfs/dbraw/zinc/02/83/84/171028384.db2.gz SKTJETBSFAHYMQ-UHFFFAOYSA-N 1 2 188.230 1.876 10 0 ADAELO c1cncc(Cc2c[nH]c[nH+]2)c1 13560683 171028392 /nfs/dbraw/zinc/02/83/92/171028392.db2.gz IQMRECYOUIKYGG-UHFFFAOYSA-N 1 2 159.192 1.396 10 0 in-vivo ADAELO c1cc(CCc2c[nH]c[nH+]2)ccn1 13560686 171028513 /nfs/dbraw/zinc/02/85/13/171028513.db2.gz JWBSRLPKZFKHSE-UHFFFAOYSA-N 1 2 173.219 1.590 10 0 ADAELO c1cc(CCc2c[nH+]c[nH]2)ccn1 13560686 171028514 /nfs/dbraw/zinc/02/85/14/171028514.db2.gz JWBSRLPKZFKHSE-UHFFFAOYSA-N 1 2 173.219 1.590 10 0 ADAELO NC(=S)c1ccc[nH+]c1NC1CC1 19477209 171034159 /nfs/dbraw/zinc/03/41/59/171034159.db2.gz ALUDUXVVEVOAEX-UHFFFAOYSA-N 1 2 193.275 1.290 10 0 ADAELO c1c[nH+]c2c(c1)OCCCN2 23664562 171042474 /nfs/dbraw/zinc/04/24/74/171042474.db2.gz UAWDLDJIIINUTL-UHFFFAOYSA-N 1 2 150.181 1.276 10 0 ADAELO NC(=S)Cc1c[nH+]c2ccccn12 31933406 171049662 /nfs/dbraw/zinc/04/96/62/171049662.db2.gz KJLMPULYVRMLAW-UHFFFAOYSA-N 1 2 191.259 1.163 10 0 ADAELO CN(C)c1[nH+]c2ccccc2n1C 32299752 171050675 /nfs/dbraw/zinc/05/06/75/171050675.db2.gz OUFVANMAOMFKCX-UHFFFAOYSA-N 1 2 175.235 1.639 10 0 ADAELO NC1=[NH+][C@@]2(CCCCO2)CCS1 33755350 171051241 /nfs/dbraw/zinc/05/12/41/171051241.db2.gz OOOLPZPZYUNPSZ-MRVPVSSYSA-N 1 2 186.280 1.335 10 0 ADAELO NC1=[NH+][C@]2(CCCCO2)CCS1 33755349 171051744 /nfs/dbraw/zinc/05/17/44/171051744.db2.gz OOOLPZPZYUNPSZ-QMMMGPOBSA-N 1 2 186.280 1.335 10 0 ADAELO Cc1ccccc1[C@@H]1OCC[N@H+]1C 33856855 171052233 /nfs/dbraw/zinc/05/22/33/171052233.db2.gz HOLRMCUEVLMWIO-NSHDSACASA-N 1 2 177.247 1.956 10 0 ADAELO Cc1ccccc1[C@@H]1OCC[N@@H+]1C 33856855 171052236 /nfs/dbraw/zinc/05/22/36/171052236.db2.gz HOLRMCUEVLMWIO-NSHDSACASA-N 1 2 177.247 1.956 10 0 ADAELO OCCSc1cccc2[nH+]ccn12 34301305 171055070 /nfs/dbraw/zinc/05/50/70/171055070.db2.gz KPLQRILLNOMEJM-UHFFFAOYSA-N 1 2 194.259 1.419 10 0 ADAELO C[C@@H]1C[NH+]=C(NCC(F)(F)F)S1 35294842 171058743 /nfs/dbraw/zinc/05/87/43/171058743.db2.gz RQLCNCSPLIIAQG-SCSAIBSYSA-N 1 2 198.213 1.630 10 0 ADAELO C[C@H]1C[NH+]=C(NCC(F)(F)F)S1 35294843 171058972 /nfs/dbraw/zinc/05/89/72/171058972.db2.gz RQLCNCSPLIIAQG-BYPYZUCNSA-N 1 2 198.213 1.630 10 0 ADAELO Nc1ccc(F)cc1Cn1cc[nH+]c1 35308557 171059215 /nfs/dbraw/zinc/05/92/15/171059215.db2.gz KZUDHMGYKZJESJ-UHFFFAOYSA-N 1 2 191.209 1.653 10 0 ADAELO CC(C)(C)C(=O)Cc1[nH]cc[nH+]1 36946620 171061964 /nfs/dbraw/zinc/06/19/64/171061964.db2.gz ANXWYPGHERQJJA-UHFFFAOYSA-N 1 2 166.224 1.567 10 0 ADAELO CC(C)C(=O)Cc1[nH]cc[nH+]1 36946619 171062232 /nfs/dbraw/zinc/06/22/32/171062232.db2.gz MEERGUVOLYFMSF-UHFFFAOYSA-N 1 2 152.197 1.177 10 0 ADAELO Oc1ccc([NH2+]C[C@@H]2CCOC2)cc1 37132149 171062855 /nfs/dbraw/zinc/06/28/55/171062855.db2.gz NNQLCKMVGPMXFI-VIFPVBQESA-N 1 2 193.246 1.841 10 0 ADAELO Oc1ccc([NH2+]C2CCOCC2)cc1 37131783 171062926 /nfs/dbraw/zinc/06/29/26/171062926.db2.gz IYULUGLJHIRRAN-UHFFFAOYSA-N 1 2 193.246 1.983 10 0 ADAELO Oc1ccc([NH2+]C[C@H]2CCOC2)cc1 37132150 171062934 /nfs/dbraw/zinc/06/29/34/171062934.db2.gz NNQLCKMVGPMXFI-SECBINFHSA-N 1 2 193.246 1.841 10 0 ADAELO Cc1ccccc1C(=O)C[NH+](C)C 37333596 171064302 /nfs/dbraw/zinc/06/43/02/171064302.db2.gz LEBVQNSTZWNCLT-UHFFFAOYSA-N 1 2 177.247 1.739 10 0 ADAELO c1c[nH+]c2c(c1)-n1cccc1CN2 38416038 171069627 /nfs/dbraw/zinc/06/96/27/171069627.db2.gz NJSZDWUZKJITQV-UHFFFAOYSA-N 1 2 171.203 1.798 10 0 ADAELO [NH3+]C1=CC=C(c2ccccn2)OC1 38540081 171070056 /nfs/dbraw/zinc/07/00/56/171070056.db2.gz LXLKKJLCVZKKKX-UHFFFAOYSA-N 1 2 174.203 1.295 10 0 ADAELO CCCc1[nH]c(CC)c[nH+]1 38886269 171070418 /nfs/dbraw/zinc/07/04/18/171070418.db2.gz MVWLYVZXKXPSLQ-UHFFFAOYSA-N 1 2 138.214 1.925 10 0 ADAELO c1c[nH+]c2c(c1)CN2 39050179 171071005 /nfs/dbraw/zinc/07/10/05/171071005.db2.gz IUINJUKUKQCSJU-UHFFFAOYSA-N 1 2 106.128 1.007 10 0 ADAELO CCCc1[nH+]cccc1N 39051019 171071084 /nfs/dbraw/zinc/07/10/84/171071084.db2.gz CRLDHCXPULAUOF-UHFFFAOYSA-N 1 2 136.198 1.616 10 0 ADAELO 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/nfs/dbraw/zinc/08/59/21/171085921.db2.gz NNMNSSHNLIMDRJ-VIFPVBQESA-N 1 2 197.278 1.219 10 0 ADAELO FC(F)(Br)n1cc[nH+]c1 43879517 171089156 /nfs/dbraw/zinc/08/91/56/171089156.db2.gz ZGLDNIBYPINLFD-UHFFFAOYSA-N 1 2 196.982 1.785 10 0 ADAELO Nc1ccc2[nH]c(-n3cccn3)[nH+]c2c1 83824670 171090743 /nfs/dbraw/zinc/09/07/43/171090743.db2.gz RZFFUNZMOMFXTP-UHFFFAOYSA-N 1 2 199.217 1.331 10 0 ADAELO CC1(C)C[C@H]1[N@@H+]1CCC(=O)C1 45135271 171091260 /nfs/dbraw/zinc/09/12/60/171091260.db2.gz SFCLCBKLPRRWAO-MRVPVSSYSA-N 1 2 153.225 1.060 10 0 ADAELO CC1(C)C[C@H]1[N@H+]1CCC(=O)C1 45135271 171091262 /nfs/dbraw/zinc/09/12/62/171091262.db2.gz SFCLCBKLPRRWAO-MRVPVSSYSA-N 1 2 153.225 1.060 10 0 ADAELO CC(C)OC(=O)C[NH2+][C@@H]1CC1(C)C 45118944 171091602 /nfs/dbraw/zinc/09/16/02/171091602.db2.gz SAOHSRDLJDLDGI-MRVPVSSYSA-N 1 2 185.267 1.326 10 0 ADAELO CC1(C)C[C@@H]1[N@@H+]1CCC(=O)C1 45135270 171091777 /nfs/dbraw/zinc/09/17/77/171091777.db2.gz SFCLCBKLPRRWAO-QMMMGPOBSA-N 1 2 153.225 1.060 10 0 ADAELO 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/nfs/dbraw/zinc/46/96/68/344469668.db2.gz TZICGDKVZAHVNO-DTWKUNHWSA-N 1 2 185.267 1.075 10 0 ADAELO CCC(=O)[C@H](C)[N@@H+]1CCO[C@@H](C)C1 224480186 344469697 /nfs/dbraw/zinc/46/96/97/344469697.db2.gz TZICGDKVZAHVNO-IUCAKERBSA-N 1 2 185.267 1.075 10 0 ADAELO CCC(=O)[C@H](C)[N@H+]1CCO[C@@H](C)C1 224480186 344469698 /nfs/dbraw/zinc/46/96/98/344469698.db2.gz TZICGDKVZAHVNO-IUCAKERBSA-N 1 2 185.267 1.075 10 0 ADAELO CCC(=O)[C@H](C)[NH+]1C[C@H](C)O[C@@H](C)C1 224479973 344469703 /nfs/dbraw/zinc/46/97/03/344469703.db2.gz OAEQRIVJCWJKRC-GUBZILKMSA-N 1 2 199.294 1.463 10 0 ADAELO [NH3+][C@@]1(C(F)F)COCc2ccccc21 226028262 344490885 /nfs/dbraw/zinc/49/08/85/344490885.db2.gz ZPOQBFBCSQHSEW-JTQLQIEISA-N 1 2 199.200 1.636 10 0 ADAELO C[C@H](O)C1CC[NH+](CC(F)F)CC1 226562326 344506438 /nfs/dbraw/zinc/50/64/38/344506438.db2.gz JFTRPPWVXYOKQO-ZETCQYMHSA-N 1 2 193.237 1.344 10 0 ADAELO CC(C)[C@H]([NH2+]N)[C@@H]1CCC[C@@H]1C 226939662 344517479 /nfs/dbraw/zinc/51/74/79/344517479.db2.gz 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/nfs/dbraw/zinc/59/74/71/344597471.db2.gz UUNQFVQYNULQOY-SNVBAGLBSA-N 1 2 178.235 1.673 10 0 ADAELO CCC(=O)[C@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 229542762 344602065 /nfs/dbraw/zinc/60/20/65/344602065.db2.gz GRAYRGYQWNFKCU-IUCAKERBSA-N 1 2 197.278 1.265 10 0 ADAELO C[C@@H]1C[C@@H](C)[C@@H](C)N([NH3+])C1 229547661 344602079 /nfs/dbraw/zinc/60/20/79/344602079.db2.gz FOBAADZNQGDFJY-BWZBUEFSSA-N 1 2 142.246 1.227 10 0 ADAELO C[C@H]1C[C@@H](C)CN([NH3+])[C@@H]1C 229547677 344602095 /nfs/dbraw/zinc/60/20/95/344602095.db2.gz FOBAADZNQGDFJY-GJMOJQLCSA-N 1 2 142.246 1.227 10 0 ADAELO CCC(=O)[C@@H](C)[N@@H+]1CCC(=O)[C@@H](C)C1 229542748 344602117 /nfs/dbraw/zinc/60/21/17/344602117.db2.gz GRAYRGYQWNFKCU-DTWKUNHWSA-N 1 2 197.278 1.265 10 0 ADAELO CCC(=O)[C@@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 229542748 344602118 /nfs/dbraw/zinc/60/21/18/344602118.db2.gz GRAYRGYQWNFKCU-DTWKUNHWSA-N 1 2 197.278 1.265 10 0 ADAELO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ncn[nH]1 230420364 344635408 /nfs/dbraw/zinc/63/54/08/344635408.db2.gz GVJLQTPMKJVLPB-CIUDSAMLSA-N 1 2 194.282 1.644 10 0 ADAELO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ncn[nH]1 230420360 344635416 /nfs/dbraw/zinc/63/54/16/344635416.db2.gz GVJLQTPMKJVLPB-XHNCKOQMSA-N 1 2 194.282 1.644 10 0 ADAELO Cc1nn(C)cc1NCc1[nH]cc[nH+]1 230944831 344646125 /nfs/dbraw/zinc/64/61/25/344646125.db2.gz HRMGRIWQMAHBIG-UHFFFAOYSA-N 1 2 191.238 1.064 10 0 ADAELO CC(C)[C@H](Nc1cccc[nH+]1)C(N)=O 231052079 344647588 /nfs/dbraw/zinc/64/75/88/344647588.db2.gz YFLFUBRAWIJWFU-VIFPVBQESA-N 1 2 193.250 1.003 10 0 ADAELO CC(C)[C@@H](Nc1cccc[nH+]1)C(N)=O 231052076 344647836 /nfs/dbraw/zinc/64/78/36/344647836.db2.gz YFLFUBRAWIJWFU-SECBINFHSA-N 1 2 193.250 1.003 10 0 ADAELO c1ccc(NCc2ccno2)[nH+]c1 231900606 344664138 /nfs/dbraw/zinc/66/41/38/344664138.db2.gz DNXPZCUYGSKACN-UHFFFAOYSA-N 1 2 175.191 1.682 10 0 ADAELO Cc1[nH+]c[nH]c1CNc1cnns1 232290819 344674290 /nfs/dbraw/zinc/67/42/90/344674290.db2.gz XVYIARJMARNAPT-UHFFFAOYSA-N 1 2 195.251 1.182 10 0 ADAELO CC(C)[C@@H]1[NH2+]CN(CC2(C)CC2)C1=O 232737655 344689125 /nfs/dbraw/zinc/68/91/25/344689125.db2.gz WRNYEXULKWWGEO-VIFPVBQESA-N 1 2 196.294 1.200 10 0 ADAELO CC1(Nc2[nH+]cnc(N)c2Cl)CC1 232830255 344693749 /nfs/dbraw/zinc/69/37/49/344693749.db2.gz CMFHUWQTPVWZSK-UHFFFAOYSA-N 1 2 198.657 1.677 10 0 ADAELO CCC(C)(C)CN1C(=O)[C@@H](C)[NH2+][C@@H]1C 232867579 344695658 /nfs/dbraw/zinc/69/56/58/344695658.db2.gz FNIUOOOROPCAJJ-BDAKNGLRSA-N 1 2 198.310 1.589 10 0 ADAELO CCC(C)(C)CN1C(=O)C[NH2+][C@@H]1C 232867312 344695705 /nfs/dbraw/zinc/69/57/05/344695705.db2.gz QEVFPQHKWNDKKP-QMMMGPOBSA-N 1 2 184.283 1.200 10 0 ADAELO CCC[C@@H]1C[C@@H]1[N@H+]1CCC(=O)C1 233301119 344700125 /nfs/dbraw/zinc/70/01/25/344700125.db2.gz AAFMCNCATGZEEL-SCZZXKLOSA-N 1 2 167.252 1.450 10 0 ADAELO CC[C@@H]1C[C@@H]1[N@@H+]1CCC(=O)C1 233929143 344707610 /nfs/dbraw/zinc/70/76/10/344707610.db2.gz FNQPTQCREWQPRR-APPZFPTMSA-N 1 2 153.225 1.060 10 0 ADAELO CC[C@@H]1C[C@@H]1[N@H+]1CCC(=O)C1 233929143 344707611 /nfs/dbraw/zinc/70/76/11/344707611.db2.gz FNQPTQCREWQPRR-APPZFPTMSA-N 1 2 153.225 1.060 10 0 ADAELO CC[C@@H]1C[C@@H]1N1C(=O)C2(CC2)[NH2+][C@@H]1C 233932558 344708055 /nfs/dbraw/zinc/70/80/55/344708055.db2.gz AYCYVPODCKDFFB-YIZRAAEISA-N 1 2 194.278 1.095 10 0 ADAELO CCN(C)c1cc(N)cc(Cl)[nH+]1 233977291 344709529 /nfs/dbraw/zinc/70/95/29/344709529.db2.gz WCFCQGKJWYAXSB-UHFFFAOYSA-N 1 2 185.658 1.773 10 0 ADAELO CCN(C)c1nc[nH+]c(N)c1Cl 233991870 344709536 /nfs/dbraw/zinc/70/95/36/344709536.db2.gz HSNOZIAIVVJQSG-UHFFFAOYSA-N 1 2 186.646 1.168 10 0 ADAELO CCN(C)c1[nH+]cnc(N)c1Cl 233991870 344709537 /nfs/dbraw/zinc/70/95/37/344709537.db2.gz HSNOZIAIVVJQSG-UHFFFAOYSA-N 1 2 186.646 1.168 10 0 ADAELO CC[C@@H](C)Nc1cc(OC)nc(N)[nH+]1 233861433 344705365 /nfs/dbraw/zinc/70/53/65/344705365.db2.gz LYAIVQNWHRDAPI-ZCFIWIBFSA-N 1 2 196.254 1.278 10 0 ADAELO CCn1cc([C@H]([NH3+])C(F)F)cn1 234223783 344715424 /nfs/dbraw/zinc/71/54/24/344715424.db2.gz WKMGDILUBPUIKJ-LURJTMIESA-N 1 2 175.182 1.168 10 0 ADAELO C[N@@H+](c1ccc(N)c(N)c1)C1CC1 234263589 344716429 /nfs/dbraw/zinc/71/64/29/344716429.db2.gz BVKQUKUYBPRSNM-UHFFFAOYSA-N 1 2 177.251 1.450 10 0 ADAELO COc1ccc(N[C@@H]2C[C@H]2C)[nH+]c1 234948217 344730750 /nfs/dbraw/zinc/73/07/50/344730750.db2.gz XJMAOGPQCIRQOD-VXNVDRBHSA-N 1 2 178.235 1.911 10 0 ADAELO C[C@@H]1C[C@@H]1Nc1nc[nH+]c(N)c1Cl 235305891 344742277 /nfs/dbraw/zinc/74/22/77/344742277.db2.gz MNIUXCMIIRVSQS-UHNVWZDZSA-N 1 2 198.657 1.533 10 0 ADAELO Cc1cc[nH+]cc1NC1CC1 235786296 344766469 /nfs/dbraw/zinc/76/64/69/344766469.db2.gz BPLWIYLZZLLOHM-UHFFFAOYSA-N 1 2 148.209 1.964 10 0 ADAELO Cc1cc(-c2ccc[nH]2)c[nH+]c1N 235864401 344769130 /nfs/dbraw/zinc/76/91/30/344769130.db2.gz JTNZOSQAVPOBBN-UHFFFAOYSA-N 1 2 173.219 1.967 10 0 ADAELO Cn1ncc(Cl)c1[C@H]([NH3+])C(F)F 236086108 344772965 /nfs/dbraw/zinc/77/29/65/344772965.db2.gz YWQCMECYRZSOLQ-BYPYZUCNSA-N 1 2 195.600 1.338 10 0 ADAELO Cn1cnc([C@@H]([NH3+])c2ccco2)c1 236095299 344773538 /nfs/dbraw/zinc/77/35/38/344773538.db2.gz WKNGXRVJBPYDBD-SECBINFHSA-N 1 2 177.207 1.061 10 0 ADAELO CCC1=[NH+]c2ccccc2CC(=O)N1 238202889 344795775 /nfs/dbraw/zinc/79/57/75/344795775.db2.gz OORATMVLPXJNQJ-UHFFFAOYSA-N 1 2 188.230 1.799 10 0 ADAELO COc1cc[nH+]cc1OC(F)(F)F 238387238 344804543 /nfs/dbraw/zinc/80/45/43/344804543.db2.gz KLMUINNYSACGCM-UHFFFAOYSA-N 1 2 193.124 1.989 10 0 ADAELO Cc1cc(N)cc(OC(F)(F)F)[nH+]1 238447994 344807212 /nfs/dbraw/zinc/80/72/12/344807212.db2.gz NYJMCLGPSRTCTK-UHFFFAOYSA-N 1 2 192.140 1.871 10 0 ADAELO Nc1c(F)c[nH+]cc1C(F)F 238571333 344813315 /nfs/dbraw/zinc/81/33/15/344813315.db2.gz CDMMXNIRXNIDQK-UHFFFAOYSA-N 1 2 162.114 1.741 10 0 ADAELO Nc1c(F)ccc2[nH+]c[nH]c12 238568317 344813318 /nfs/dbraw/zinc/81/33/18/344813318.db2.gz LRQNJBBSPSAFHM-UHFFFAOYSA-N 1 2 151.144 1.284 10 0 ADAELO Nc1c(F)ccc2[nH]c[nH+]c12 238568317 344813319 /nfs/dbraw/zinc/81/33/19/344813319.db2.gz LRQNJBBSPSAFHM-UHFFFAOYSA-N 1 2 151.144 1.284 10 0 ADAELO Cc1[nH]c([C@@H](O)C(F)(F)F)[nH+]c1C 238566928 344813333 /nfs/dbraw/zinc/81/33/33/344813333.db2.gz VPUDJNSHDWNQFS-RXMQYKEDSA-N 1 2 194.156 1.622 10 0 ADAELO Cc1cc(OC(F)(F)F)c[nH+]c1N 238495530 344809419 /nfs/dbraw/zinc/80/94/19/344809419.db2.gz OXZCHRZSHWMOFV-UHFFFAOYSA-N 1 2 192.140 1.871 10 0 ADAELO Nc1[nH]c2c(F)c(Cl)ccc2[nH+]1 238609716 344815724 /nfs/dbraw/zinc/81/57/24/344815724.db2.gz ZFVOLAMYAUBSDY-UHFFFAOYSA-N 1 2 185.589 1.938 10 0 ADAELO Nc1cccc([C@H]2CCC(=O)C2)[nH+]1 238633738 344816700 /nfs/dbraw/zinc/81/67/00/344816700.db2.gz AHKSSUYVMFMSNP-ZETCQYMHSA-N 1 2 176.219 1.500 10 0 ADAELO OCCCc1cc2c(c[nH+]1)CCCC2 238686373 344819053 /nfs/dbraw/zinc/81/90/53/344819053.db2.gz GTHXHEUQOSPFEY-UHFFFAOYSA-N 1 2 191.274 1.885 10 0 ADAELO CC1=NN(C[C@@H]2CCCC[NH2+]2)C(=O)C1 250870687 344842941 /nfs/dbraw/zinc/84/29/41/344842941.db2.gz BQYIGQFONQMGSA-VIFPVBQESA-N 1 2 195.266 1.039 10 0 ADAELO CCC(=O)[C@H](C)[N@H+]1C[C@@H](C)OC[C@H]1C 251234115 344849970 /nfs/dbraw/zinc/84/99/70/344849970.db2.gz RBWAVFBSCSNORT-BBBLOLIVSA-N 1 2 199.294 1.463 10 0 ADAELO CCC(=O)[C@H](C)[N@@H+]1C[C@H](C)OC[C@H]1C 251234119 344850022 /nfs/dbraw/zinc/85/00/22/344850022.db2.gz RBWAVFBSCSNORT-UTLUCORTSA-N 1 2 199.294 1.463 10 0 ADAELO CCC(=O)[C@H](C)[N@H+]1C[C@H](C)OC[C@H]1C 251234119 344850024 /nfs/dbraw/zinc/85/00/24/344850024.db2.gz RBWAVFBSCSNORT-UTLUCORTSA-N 1 2 199.294 1.463 10 0 ADAELO CCC(=O)C[N@@H+]1C[C@@H](C)OC[C@H]1C 251221186 344850097 /nfs/dbraw/zinc/85/00/97/344850097.db2.gz MWAUFPROJBOVME-RKDXNWHRSA-N 1 2 185.267 1.075 10 0 ADAELO CC[C@@H]1COCC[N@@H+]1[C@H]1CCCC1=O 252424145 344895409 /nfs/dbraw/zinc/89/54/09/344895409.db2.gz FIQYSYMBCRZLAN-ZJUUUORDSA-N 1 2 197.278 1.219 10 0 ADAELO CC[C@@H]1COCC[N@H+]1[C@H]1CCCC1=O 252424145 344895410 /nfs/dbraw/zinc/89/54/10/344895410.db2.gz FIQYSYMBCRZLAN-ZJUUUORDSA-N 1 2 197.278 1.219 10 0 ADAELO CC[C@H](C)[C@@H]1[NH2+][C@H](C)N(C2CC2)C1=O 252741251 344911726 /nfs/dbraw/zinc/91/17/26/344911726.db2.gz KTPLDBYKVMRMDC-NRPADANISA-N 1 2 196.294 1.341 10 0 ADAELO N[NH2+][C@@H](C1CC1)[C@H]1C[C@@H]2C[C@@H]2C1 252977843 344923975 /nfs/dbraw/zinc/92/39/75/344923975.db2.gz ZZMVEOCSGDDNFZ-JXUBOQSCSA-N 1 2 166.268 1.274 10 0 ADAELO COC(=O)[C@H](C(C)C)n1cc[nH+]c1 259834533 344951068 /nfs/dbraw/zinc/95/10/68/344951068.db2.gz OTJRCHRDCPJYQR-QMMMGPOBSA-N 1 2 182.223 1.253 10 0 ADAELO CCCC[C@H]([NH2+][C@@H]1C[C@H]1C)C(=O)OC 300011725 344962714 /nfs/dbraw/zinc/96/27/14/344962714.db2.gz XINMZGYHALSHIL-KXUCPTDWSA-N 1 2 199.294 1.716 10 0 ADAELO Cc1c[nH+]c([C@@H]2CC2(C)C)nc1N 300855186 345005948 /nfs/dbraw/zinc/00/59/48/345005948.db2.gz BRTBXNKFAFDILN-ZETCQYMHSA-N 1 2 177.251 1.881 10 0 ADAELO CC[C@H]([NH2+]N)[C@H]1CCC(F)(F)C1 300930203 345014276 /nfs/dbraw/zinc/01/42/76/345014276.db2.gz QXBITHFWXHPVSQ-BQBZGAKWSA-N 1 2 178.226 1.664 10 0 ADAELO CC[C@@H]([NH2+]N)[C@H]1CCC(F)(F)C1 300930204 345014301 /nfs/dbraw/zinc/01/43/01/345014301.db2.gz QXBITHFWXHPVSQ-NKWVEPMBSA-N 1 2 178.226 1.664 10 0 ADAELO CC[C@H]([NH2+]N)[C@@H]1CCC(F)(F)C1 300930206 345014313 /nfs/dbraw/zinc/01/43/13/345014313.db2.gz QXBITHFWXHPVSQ-RQJHMYQMSA-N 1 2 178.226 1.664 10 0 ADAELO COC1CCC(Nc2c[nH]c[nH+]2)CC1 306182426 345073574 /nfs/dbraw/zinc/07/35/74/345073574.db2.gz XLOMAWWVRBQCJC-UHFFFAOYSA-N 1 2 195.266 1.779 10 0 ADAELO COc1cc[nH+]cc1[C@@]1(O)CC[C@@H]1C 306191870 345081929 /nfs/dbraw/zinc/08/19/29/345081929.db2.gz GVRUIKDANMPBLQ-GZMMTYOYSA-N 1 2 193.246 1.708 10 0 ADAELO COc1c(N)nc([C@H]2C[C@H]2C)[nH+]c1C 306222614 345115507 /nfs/dbraw/zinc/11/55/07/345115507.db2.gz XMYGPQQSSHDGIP-VDTYLAMSSA-N 1 2 193.250 1.499 10 0 ADAELO Nc1c[nH+]cc(N2CCC(F)(F)C2)c1 306208362 345097781 /nfs/dbraw/zinc/09/77/81/345097781.db2.gz HJSLJSZMYHWLJF-UHFFFAOYSA-N 1 2 199.204 1.509 10 0 ADAELO CCc1oncc1NCc1c[nH+]c[nH]1 306235576 345128528 /nfs/dbraw/zinc/12/85/28/345128528.db2.gz NYXKNPJLYKHYGV-UHFFFAOYSA-N 1 2 192.222 1.572 10 0 ADAELO CCc1oncc1NCc1c[nH]c[nH+]1 306235576 345128529 /nfs/dbraw/zinc/12/85/29/345128529.db2.gz NYXKNPJLYKHYGV-UHFFFAOYSA-N 1 2 192.222 1.572 10 0 ADAELO O[C@H]1CC[C@@H]([N@@H+]2CCC(F)(F)C2)C1 306235539 345128545 /nfs/dbraw/zinc/12/85/45/345128545.db2.gz NUEXFUUQMBCBGO-SFYZADRCSA-N 1 2 191.221 1.241 10 0 ADAELO O[C@H]1CC[C@@H]([N@H+]2CCC(F)(F)C2)C1 306235539 345128546 /nfs/dbraw/zinc/12/85/46/345128546.db2.gz NUEXFUUQMBCBGO-SFYZADRCSA-N 1 2 191.221 1.241 10 0 ADAELO CNc1nc(Cn2cc[nH+]c2)cs1 306276173 345163496 /nfs/dbraw/zinc/16/34/96/345163496.db2.gz RYDLQVPXMSUNIE-UHFFFAOYSA-N 1 2 194.263 1.430 10 0 ADAELO C[C@@H](O)c1cc[nH+]c(N2CC=CC2)c1 306277720 345164817 /nfs/dbraw/zinc/16/48/17/345164817.db2.gz UWRQADPSMVFYCI-SECBINFHSA-N 1 2 190.246 1.511 10 0 ADAELO CC1(C)CC[C@@H]1[NH2+]N1CCOCC1 306306427 345186284 /nfs/dbraw/zinc/18/62/84/345186284.db2.gz FCTBGKMVSXLDBT-VIFPVBQESA-N 1 2 184.283 1.012 10 0 ADAELO C[C@@H](O)CNc1cc[nH+]c(C2CC2)n1 306339796 345214766 /nfs/dbraw/zinc/21/47/66/345214766.db2.gz ZWUSJEFPIFLTIB-SSDOTTSWSA-N 1 2 193.250 1.147 10 0 ADAELO COc1c(N)nc(C2CC2)[nH+]c1C 306350891 345224110 /nfs/dbraw/zinc/22/41/10/345224110.db2.gz NJQWABFNIFRGRC-UHFFFAOYSA-N 1 2 179.223 1.253 10 0 ADAELO C[C@H]1CC[C@@H]1Nc1c[nH+]cc(N)c1 306357034 345228332 /nfs/dbraw/zinc/22/83/32/345228332.db2.gz UPSIKNWJGGTURE-XVKPBYJWSA-N 1 2 177.251 1.874 10 0 ADAELO FCCCNc1cccc[nH+]1 306440440 345301516 /nfs/dbraw/zinc/30/15/16/345301516.db2.gz NQIASGKHSWISCV-UHFFFAOYSA-N 1 2 154.188 1.853 10 0 ADAELO C[C@@H]([C@@H]1CCOC1)[NH+]1CC(F)C1 306452680 345312919 /nfs/dbraw/zinc/31/29/19/345312919.db2.gz WATLQZRUXNQYBJ-JGVFFNPUSA-N 1 2 173.231 1.065 10 0 ADAELO C[C@@H]1[NH2+][C@H]([C@@H]2CCCC[C@H]2C)NC1=O 306465019 345325566 /nfs/dbraw/zinc/32/55/66/345325566.db2.gz JMWKIBGXQNJSNZ-RGOKHQFPSA-N 1 2 196.294 1.247 10 0 ADAELO c1[nH]cc(N[C@H]2CCSC2)[nH+]1 306466803 345328028 /nfs/dbraw/zinc/32/80/28/345328028.db2.gz JUVUKLQFGKQXFZ-LURJTMIESA-N 1 2 169.253 1.327 10 0 ADAELO CC(C)CCNc1c[nH]c[nH+]1 306469843 345332829 /nfs/dbraw/zinc/33/28/29/345332829.db2.gz PSOYBHZIXPACFR-UHFFFAOYSA-N 1 2 153.229 1.868 10 0 ADAELO C[C@H](c1cscn1)[NH+]1CCC1 306478056 345344409 /nfs/dbraw/zinc/34/44/09/345344409.db2.gz ZBZONZFSHPWHDU-SSDOTTSWSA-N 1 2 168.265 1.910 10 0 ADAELO [NH3+][C@H](c1ccsn1)C(F)F 306507388 345380130 /nfs/dbraw/zinc/38/01/30/345380130.db2.gz XXDHESUNCIDSHC-SCSAIBSYSA-N 1 2 164.180 1.408 10 0 ADAELO C[C@H]1C[C@H](C)[NH+]1Cc1csnn1 306494875 345368540 /nfs/dbraw/zinc/36/85/40/345368540.db2.gz BLJFKMIKNNVEKT-BQBZGAKWSA-N 1 2 183.280 1.521 10 0 ADAELO CC(C)c1c(NCCF)nc[nH+]c1N 306529211 345400490 /nfs/dbraw/zinc/40/04/90/345400490.db2.gz CEEBAWIYTWSUID-UHFFFAOYSA-N 1 2 198.245 1.564 10 0 ADAELO CC(C)c1c(N)nc[nH+]c1NCCF 306529211 345400491 /nfs/dbraw/zinc/40/04/91/345400491.db2.gz CEEBAWIYTWSUID-UHFFFAOYSA-N 1 2 198.245 1.564 10 0 ADAELO CCn1c[nH+]c([C@@H]2CCCC[C@H]2O)c1 306531063 345402754 /nfs/dbraw/zinc/40/27/54/345402754.db2.gz ACABOHQMMGIEIZ-GXSJLCMTSA-N 1 2 194.278 1.922 10 0 ADAELO CC[N@@H+](C)Cn1nc(C)[nH]c1=S 306532422 345404224 /nfs/dbraw/zinc/40/42/24/345404224.db2.gz LZKPPSAZRVUFOP-UHFFFAOYSA-N 1 2 186.284 1.158 10 0 ADAELO CC(C)[S@](=O)Nc1cc[nH+]cc1N 306608877 345483321 /nfs/dbraw/zinc/48/33/21/345483321.db2.gz JRMQLJJBNQAPOU-ZDUSSCGKSA-N 1 2 199.279 1.148 10 0 ADAELO CC[C@H]1CS[C@@H](c2ccn(C)n2)[NH2+]1 306615894 345489254 /nfs/dbraw/zinc/48/92/54/345489254.db2.gz OLGBYMRORIWXQI-CBAPKCEASA-N 1 2 197.307 1.534 10 0 ADAELO C[C@H]1C[NH2+][C@@H](c2nccn2C)S1 306620087 345492907 /nfs/dbraw/zinc/49/29/07/345492907.db2.gz UMJLGJDDLWEJEX-POYBYMJQSA-N 1 2 183.280 1.144 10 0 ADAELO CCCN1CC(=O)Nc2cc[nH+]cc21 306635679 345503899 /nfs/dbraw/zinc/50/38/99/345503899.db2.gz AJZMKEFSYVIJGO-UHFFFAOYSA-N 1 2 191.234 1.250 10 0 ADAELO C[C@H](O)[C@H](C)[NH2+]c1ccc(N)c(N)c1 306636461 345504486 /nfs/dbraw/zinc/50/44/86/345504486.db2.gz LWHVRBKPXIRXDW-BQBZGAKWSA-N 1 2 195.266 1.032 10 0 ADAELO C[C@@H](O)[C@@H](C)[NH2+]c1ccc(N)c(N)c1 306636463 345505013 /nfs/dbraw/zinc/50/50/13/345505013.db2.gz LWHVRBKPXIRXDW-RNFRBKRXSA-N 1 2 195.266 1.032 10 0 ADAELO CCCNc1nc(N)[nH+]c(C(C)C)n1 306673866 345535702 /nfs/dbraw/zinc/53/57/02/345535702.db2.gz OSHNXGSFLCKGDG-UHFFFAOYSA-N 1 2 195.270 1.399 10 0 ADAELO Cc1nc(N[C@H](C)C(F)F)cc[nH+]1 306695872 345552722 /nfs/dbraw/zinc/55/27/22/345552722.db2.gz WQEWQQJKSFSIBM-RXMQYKEDSA-N 1 2 187.193 1.851 10 0 ADAELO O=c1[nH]cccc1NCc1[nH]cc[nH+]1 306724369 345574418 /nfs/dbraw/zinc/57/44/18/345574418.db2.gz IPQLMYRBLDWBOD-UHFFFAOYSA-N 1 2 190.206 1.122 10 0 ADAELO C[C@H]1C[NH2+][C@H](c2ccn(C)n2)S1 306849125 345655993 /nfs/dbraw/zinc/65/59/93/345655993.db2.gz NIPTWBREIFZHBJ-XPUUQOCRSA-N 1 2 183.280 1.144 10 0 ADAELO [NH3+][C@@H](c1ccns1)c1cnns1 306864866 345666851 /nfs/dbraw/zinc/66/68/51/345666851.db2.gz LTXYNCIEFKDOFF-LURJTMIESA-N 1 2 198.276 1.043 10 0 ADAELO Nc1c[nH+]cc(NCCF)c1 306886363 345682439 /nfs/dbraw/zinc/68/24/39/345682439.db2.gz SLDIHCKKNHVIES-UHFFFAOYSA-N 1 2 155.176 1.045 10 0 ADAELO C[C@H]1C[NH2+][C@@H](c2ccn(C)n2)SC1 306983493 345733506 /nfs/dbraw/zinc/73/35/06/345733506.db2.gz SXNBUMYYGCZILM-IONNQARKSA-N 1 2 197.307 1.391 10 0 ADAELO CC(C)N1C(=O)C[NH2+][C@]1(C)C(C)C 306968060 345724967 /nfs/dbraw/zinc/72/49/67/345724967.db2.gz QMQVSBJFABMYSY-JTQLQIEISA-N 1 2 184.283 1.199 10 0 ADAELO c1c2c(cc3c1[NH2+]CCC3)OCC2 306994565 345740640 /nfs/dbraw/zinc/74/06/40/345740640.db2.gz NYKYWVVUHJXSCG-UHFFFAOYSA-N 1 2 175.231 1.980 10 0 ADAELO CN(C)c1[nH+]cccc1NCCF 307012201 345751617 /nfs/dbraw/zinc/75/16/17/345751617.db2.gz KNTJAWJGEHLGMW-UHFFFAOYSA-N 1 2 183.230 1.529 10 0 ADAELO O=C1CC[N@H+](CC2=CCCCC2)C1 307035053 345768442 /nfs/dbraw/zinc/76/84/42/345768442.db2.gz UPUYNXGDIKTCSC-UHFFFAOYSA-N 1 2 179.263 1.762 10 0 ADAELO O=C1CC[N@@H+](CC2=CCCCC2)C1 307035053 345768443 /nfs/dbraw/zinc/76/84/43/345768443.db2.gz UPUYNXGDIKTCSC-UHFFFAOYSA-N 1 2 179.263 1.762 10 0 ADAELO C[C@@H]1CN(C)c2c[nH+]ccc2NC1=O 307055730 345782553 /nfs/dbraw/zinc/78/25/53/345782553.db2.gz ZMEWSCMASXUDTH-SSDOTTSWSA-N 1 2 191.234 1.106 10 0 ADAELO CC[C@@H]1CC[N@@H+]1Cc1nnc(C)o1 307072148 345793612 /nfs/dbraw/zinc/79/36/12/345793612.db2.gz HPLYSXUGHHWPGD-MRVPVSSYSA-N 1 2 181.239 1.362 10 0 ADAELO CC[C@@H]1CC[N@H+]1Cc1nnc(C)o1 307072148 345793613 /nfs/dbraw/zinc/79/36/13/345793613.db2.gz HPLYSXUGHHWPGD-MRVPVSSYSA-N 1 2 181.239 1.362 10 0 ADAELO CC1(C)COCC[N@@H+]1Cc1cc[nH]n1 335705039 204021517 /nfs/dbraw/zinc/02/15/17/204021517.db2.gz SGNYHSVVEGAWPX-UHFFFAOYSA-N 1 2 195.266 1.021 10 0 ADAELO CC1(C)COCC[N@H+]1Cc1cc[nH]n1 335705039 204021520 /nfs/dbraw/zinc/02/15/20/204021520.db2.gz SGNYHSVVEGAWPX-UHFFFAOYSA-N 1 2 195.266 1.021 10 0 ADAELO Cc1nn(C)cc1[C@@H]([NH3+])C(C)(F)F 307285237 345947713 /nfs/dbraw/zinc/94/77/13/345947713.db2.gz MGYFECCKEJWKRW-SSDOTTSWSA-N 1 2 189.209 1.384 10 0 ADAELO CNc1nc(N2CCC2)c(Cl)c[nH+]1 307301566 345956671 /nfs/dbraw/zinc/95/66/71/345956671.db2.gz LGDPNFNLQBBVNB-UHFFFAOYSA-N 1 2 198.657 1.382 10 0 ADAELO CNc1c[nH+]cc(N2CC(C)(C)C2)c1 307305183 345958946 /nfs/dbraw/zinc/95/89/46/345958946.db2.gz IBLFNIHYIQFZRR-UHFFFAOYSA-N 1 2 191.278 1.970 10 0 ADAELO Cn1nccc1[C@H]([NH3+])C(C)(F)F 307312911 345964379 /nfs/dbraw/zinc/96/43/79/345964379.db2.gz GVIRNGVNFITSCD-LURJTMIESA-N 1 2 175.182 1.075 10 0 ADAELO Cn1nccc1[C@@H]([NH3+])C(C)(F)F 307312917 345964424 /nfs/dbraw/zinc/96/44/24/345964424.db2.gz GVIRNGVNFITSCD-ZCFIWIBFSA-N 1 2 175.182 1.075 10 0 ADAELO C[C@H]1C[NH2+][C@H](c2cn(C)cn2)SC1 307315528 345966115 /nfs/dbraw/zinc/96/61/15/345966115.db2.gz XYUBIASVDSRTQR-CBAPKCEASA-N 1 2 197.307 1.391 10 0 ADAELO C[C@H]1CCC[C@H]1c1[nH]c(CO)c[nH+]1 307329785 345974854 /nfs/dbraw/zinc/97/48/54/345974854.db2.gz MMRISMWJJFAWKL-IONNQARKSA-N 1 2 180.251 1.806 10 0 ADAELO C[C@H]1CCC[C@H]1c1[nH]cc(CO)[nH+]1 307329785 345974855 /nfs/dbraw/zinc/97/48/55/345974855.db2.gz MMRISMWJJFAWKL-IONNQARKSA-N 1 2 180.251 1.806 10 0 ADAELO CC(C)[C@]1(C)C[C@H]1n1c[nH+]cc1CO 307344142 345983783 /nfs/dbraw/zinc/98/37/83/345983783.db2.gz MPKYVKHNNCUAFK-MNOVXSKESA-N 1 2 194.278 1.983 10 0 ADAELO C[C@H]1C[C@@H]1CNc1c[nH]c[nH+]1 307354395 345990419 /nfs/dbraw/zinc/99/04/19/345990419.db2.gz SGHCBCFTJNBFQH-NKWVEPMBSA-N 1 2 151.213 1.478 10 0 ADAELO C/C=C/CNc1nc[nH+]c(N)c1Cl 307422800 346032656 /nfs/dbraw/zinc/03/26/56/346032656.db2.gz OVJMDBKLZBZLPZ-NSCUHMNNSA-N 1 2 198.657 1.700 10 0 ADAELO Cn1cnc([C@H]2[NH2+]C(C)(C)CS2)c1 307442547 346042772 /nfs/dbraw/zinc/04/27/72/346042772.db2.gz AKZTXOBOYUYYKQ-QMMMGPOBSA-N 1 2 197.307 1.534 10 0 ADAELO CNc1cc(N[C@H]2CC[C@H]2C)[nH+]cn1 307489724 346071272 /nfs/dbraw/zinc/07/12/72/346071272.db2.gz DYQWDYCVDNWWTO-SFYZADRCSA-N 1 2 192.266 1.729 10 0 ADAELO Cc1nc(N[C@H](C)C(C)(C)O)cc[nH+]1 307504467 346078910 /nfs/dbraw/zinc/07/89/10/346078910.db2.gz WSGHKJCCAUORMC-SSDOTTSWSA-N 1 2 195.266 1.356 10 0 ADAELO C[C@@H]1C[NH2+][C@H](c2nccn2C)SC1 307507886 346081008 /nfs/dbraw/zinc/08/10/08/346081008.db2.gz NGNBOOVAYJQSOM-APPZFPTMSA-N 1 2 197.307 1.391 10 0 ADAELO C[C@H]1C[NH2+][C@@H](c2nccn2C)SC1 307507908 346081019 /nfs/dbraw/zinc/08/10/19/346081019.db2.gz NGNBOOVAYJQSOM-IONNQARKSA-N 1 2 197.307 1.391 10 0 ADAELO O[C@H]1CCC[C@H]1Nc1cccc[nH+]1 307532221 346095221 /nfs/dbraw/zinc/09/52/21/346095221.db2.gz YVFQGVBSABPKID-BDAKNGLRSA-N 1 2 178.235 1.407 10 0 ADAELO NNc1nc(-c2ccoc2)cc[nH+]1 307553596 346108843 /nfs/dbraw/zinc/10/88/43/346108843.db2.gz VZJJIRICOFECEJ-UHFFFAOYSA-N 1 2 176.179 1.022 10 0 ADAELO CNc1ccc(N2CC[C@H]2C)c[nH+]1 307555846 346110698 /nfs/dbraw/zinc/11/06/98/346110698.db2.gz TZSNTILUOCPYAL-MRVPVSSYSA-N 1 2 177.251 1.722 10 0 ADAELO Cc1[nH]ncc1C[N@@H+]1[C@@H](C)C[C@H]1C 307575661 346123900 /nfs/dbraw/zinc/12/39/00/346123900.db2.gz JFCRLNCMDIKPHP-OCAPTIKFSA-N 1 2 179.267 1.701 10 0 ADAELO Cc1[nH]ncc1C[N@H+]1[C@@H](C)C[C@H]1C 307575661 346123901 /nfs/dbraw/zinc/12/39/01/346123901.db2.gz JFCRLNCMDIKPHP-OCAPTIKFSA-N 1 2 179.267 1.701 10 0 ADAELO CC[S@](=O)Cc1ccc(C)[nH+]c1C 307632390 346159266 /nfs/dbraw/zinc/15/92/66/346159266.db2.gz PVRCBJVBBSBQTA-ZDUSSCGKSA-N 1 2 197.303 1.967 10 0 ADAELO COc1ncc([C@@H]([NH3+])C(F)F)s1 307618490 346151007 /nfs/dbraw/zinc/15/10/07/346151007.db2.gz YXRVJJFSSHWDFN-SCSAIBSYSA-N 1 2 194.206 1.417 10 0 ADAELO Cc1cc(C[NH+]2CC(O)C2)cs1 307621204 346152290 /nfs/dbraw/zinc/15/22/90/346152290.db2.gz BGFGHVKREBSLLX-UHFFFAOYSA-N 1 2 183.276 1.233 10 0 ADAELO CCN1C(=O)[C@H](C)[NH2+][C@@]1(C)C(C)C 307652349 346167374 /nfs/dbraw/zinc/16/73/74/346167374.db2.gz SQDYXNMZRHWTIR-WCBMZHEXSA-N 1 2 184.283 1.199 10 0 ADAELO CC[C@H]1CC[N@H+]1Cc1nc(C)no1 307659028 346169451 /nfs/dbraw/zinc/16/94/51/346169451.db2.gz CEVXIIFWYHDMHK-QMMMGPOBSA-N 1 2 181.239 1.362 10 0 ADAELO Cc1cc([C@@H]([NH3+])c2ncc[nH]2)sn1 307648722 346166282 /nfs/dbraw/zinc/16/62/82/346166282.db2.gz GZHCLBKUWODLJQ-SSDOTTSWSA-N 1 2 194.263 1.223 10 0 ADAELO C1=CO[C@@H](CNc2c[nH]c[nH+]2)CC1 307703529 346193579 /nfs/dbraw/zinc/19/35/79/346193579.db2.gz VQKGUCUNXZMIOZ-MRVPVSSYSA-N 1 2 179.223 1.514 10 0 ADAELO CC(C)(C)[C@H](O)CNc1cccc[nH+]1 307717016 346200119 /nfs/dbraw/zinc/20/01/19/346200119.db2.gz ITWUACPVXIMFKJ-SECBINFHSA-N 1 2 194.278 1.901 10 0 ADAELO Cc1[nH+]ccc(NC(N)=O)c1C 307708452 346196000 /nfs/dbraw/zinc/19/60/00/346196000.db2.gz JBONRDCPKOXYMR-UHFFFAOYSA-N 1 2 165.196 1.189 10 0 ADAELO c1[nH]cc(NC2CCOCC2)[nH+]1 307748638 346218431 /nfs/dbraw/zinc/21/84/31/346218431.db2.gz COOIYEKHCXRBPH-UHFFFAOYSA-N 1 2 167.212 1.001 10 0 ADAELO C/C=C\C[NH2+][C@H](C(=O)OC)C1CC1 308257957 346277646 /nfs/dbraw/zinc/27/76/46/346277646.db2.gz KWAODXIINKDELE-TYRPZCRBSA-N 1 2 183.251 1.104 10 0 ADAELO C/C=C/C[NH2+][C@H](C(=O)OC)C1CC1 308257956 346277657 /nfs/dbraw/zinc/27/76/57/346277657.db2.gz KWAODXIINKDELE-NWALNABHSA-N 1 2 183.251 1.104 10 0 ADAELO C/C=C\COc1cc(NC)[nH+]c(N)n1 308324232 346289204 /nfs/dbraw/zinc/28/92/04/346289204.db2.gz WVMZEJQDGRTQPJ-ARJAWSKDSA-N 1 2 194.238 1.055 10 0 ADAELO Cc1[nH]c(C(=O)N[C@H]2CC[C@@H]2C)c[nH+]1 334264951 346336044 /nfs/dbraw/zinc/33/60/44/346336044.db2.gz XVDNIBYRZGMJMM-XPUUQOCRSA-N 1 2 193.250 1.246 10 0 ADAELO CC(C)(C)OC(=O)C[N@@H+]1CC=CCC1 312930437 346321359 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/nfs/dbraw/zinc/02/11/75/343021175.db2.gz PIGBIDCMRJSGSS-UHFFFAOYSA-N 1 2 176.219 1.178 10 0 ADAELO CCn1c(CCO)[nH+]c2ccccc21 8786059 343021232 /nfs/dbraw/zinc/02/12/32/343021232.db2.gz RFEISYRXURZHLR-UHFFFAOYSA-N 1 2 190.246 1.591 10 0 ADAELO Cc1ccc2[nH+]c(CCO)cn2c1 9238543 343021241 /nfs/dbraw/zinc/02/12/41/343021241.db2.gz LDHWTTIGOBIDSW-UHFFFAOYSA-N 1 2 176.219 1.178 10 0 ADAELO CCn1ccnc1[C@@H]([NH3+])c1ccco1 11735109 343024567 /nfs/dbraw/zinc/02/45/67/343024567.db2.gz GCWQMOHXFUYNPA-VIFPVBQESA-N 1 2 191.234 1.544 10 0 ADAELO CCn1ccnc1[C@H]([NH3+])c1ccco1 11735110 343024579 /nfs/dbraw/zinc/02/45/79/343024579.db2.gz GCWQMOHXFUYNPA-SECBINFHSA-N 1 2 191.234 1.544 10 0 ADAELO CCc1cc(C)cc[nH+]1 13232910 343033742 /nfs/dbraw/zinc/03/37/42/343033742.db2.gz WFGFGSWFQKXOAE-UHFFFAOYSA-N 1 2 121.183 1.952 10 0 ADAELO C[NH+](C)CC(=O)c1ccc(O)cc1 13352580 343034151 /nfs/dbraw/zinc/03/41/51/343034151.db2.gz VUEDDMDOQVIYSD-UHFFFAOYSA-N 1 2 179.219 1.137 10 0 ADAELO Cc1[nH]cc(-c2cccnc2)[nH+]1 13607124 343036803 /nfs/dbraw/zinc/03/68/03/343036803.db2.gz CRTCNWBTASZQFC-UHFFFAOYSA-N 1 2 159.192 1.780 10 0 ADAELO C1=CC2=C3C=CC=C[N@H+]3CCN2C=C1 13827748 343037764 /nfs/dbraw/zinc/03/77/64/343037764.db2.gz ODWHOGPXACKTCJ-UHFFFAOYSA-N 1 2 184.242 1.983 10 0 ADAELO C1=CC2=C3C=CC=C[N@@H+]3CCN2C=C1 13827748 343037766 /nfs/dbraw/zinc/03/77/66/343037766.db2.gz ODWHOGPXACKTCJ-UHFFFAOYSA-N 1 2 184.242 1.983 10 0 ADAELO Cc1c[nH+]cc2c(C=O)c[nH]c12 14986189 343040924 /nfs/dbraw/zinc/04/09/24/343040924.db2.gz LHORUEFKJJLEMR-UHFFFAOYSA-N 1 2 160.176 1.684 10 0 ADAELO CC[C@@H](O)c1ccc[nH+]c1N 21985761 343076931 /nfs/dbraw/zinc/07/69/31/343076931.db2.gz RWGQOCKOYGTNMB-SSDOTTSWSA-N 1 2 152.197 1.107 10 0 ADAELO CC[C@H](O)c1ccc[nH+]c1N 21985763 343076934 /nfs/dbraw/zinc/07/69/34/343076934.db2.gz RWGQOCKOYGTNMB-ZETCQYMHSA-N 1 2 152.197 1.107 10 0 ADAELO Cc1[nH]c(C(C)C)c[nH+]1 21984349 343076944 /nfs/dbraw/zinc/07/69/44/343076944.db2.gz FWNOUILZZKVNQJ-UHFFFAOYSA-N 1 2 124.187 1.842 10 0 ADAELO Fc1cc[nH+]c2c1NCCN2 24620028 343085817 /nfs/dbraw/zinc/08/58/17/343085817.db2.gz UMWTTXNNSJFCFT-UHFFFAOYSA-N 1 2 153.160 1.058 10 0 ADAELO CCc1c[nH]c2nc[nH+]cc12 24729935 343086343 /nfs/dbraw/zinc/08/63/43/343086343.db2.gz YNNMZEFRJKNDNH-UHFFFAOYSA-N 1 2 147.181 1.520 10 0 ADAELO Cc1cc(N)[nH+]cc1C(F)(F)F 26460004 343088275 /nfs/dbraw/zinc/08/82/75/343088275.db2.gz PSNRCHPRCQXPHC-UHFFFAOYSA-N 1 2 176.141 1.991 10 0 ADAELO Cc1nc2[nH]c(C)c(C)c2c(N)[nH+]1 26719849 343090273 /nfs/dbraw/zinc/09/02/73/343090273.db2.gz ABYSHPMNLZCWGY-UHFFFAOYSA-N 1 2 176.223 1.465 10 0 ADAELO Cc1ccc2[nH+]ccc(NN)c2c1 32099465 343097811 /nfs/dbraw/zinc/09/78/11/343097811.db2.gz KRFGSMKAZRUGKP-UHFFFAOYSA-N 1 2 173.219 1.829 10 0 ADAELO Cc1[nH+]ccc2c1O[C@@H](C)C2 32189965 343100030 /nfs/dbraw/zinc/10/00/30/343100030.db2.gz HYGDMNXVKZTRNN-LURJTMIESA-N 1 2 149.193 1.713 10 0 ADAELO COc1ccccc1C(=O)C[NH+](C)C 32195812 343100621 /nfs/dbraw/zinc/10/06/21/343100621.db2.gz XTEYYSRZKHMKIS-UHFFFAOYSA-N 1 2 193.246 1.440 10 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NPSGUNCJECVTIP-UHFFFAOYSA-N 1 2 142.183 1.153 10 0 ADAELO Cc1cn(C(C)(C)C)c[nH+]1 34075438 343109795 /nfs/dbraw/zinc/10/97/95/343109795.db2.gz XTTMKZGGIJDEME-UHFFFAOYSA-N 1 2 138.214 1.947 10 0 ADAELO CN(C)c1ccc([NH3+])c(O)c1 34087869 343110289 /nfs/dbraw/zinc/11/02/89/343110289.db2.gz LGXONQNQFVDTOL-UHFFFAOYSA-N 1 2 152.197 1.040 10 0 ADAELO CSC1=[NH+]CCC1 34102104 343110709 /nfs/dbraw/zinc/11/07/09/343110709.db2.gz OTWJIJVHOQVODL-UHFFFAOYSA-N 1 2 115.201 1.542 10 0 ADAELO CN(N)c1cc[nH+]c2ccccc12 34222361 343113639 /nfs/dbraw/zinc/11/36/39/343113639.db2.gz QBZIHROXTZFPKQ-UHFFFAOYSA-N 1 2 173.219 1.545 10 0 ADAELO CCc1cc([NH3+])cc(CC)c1N 34333891 343116737 /nfs/dbraw/zinc/11/67/37/343116737.db2.gz KEEQZNSCYCPKOJ-UHFFFAOYSA-N 1 2 164.252 1.976 10 0 ADAELO CN(C)c1ccc2[nH]ccc2[nH+]1 34372998 343117886 /nfs/dbraw/zinc/11/78/86/343117886.db2.gz XTXUDUUPOZHIMK-UHFFFAOYSA-N 1 2 161.208 1.629 10 0 ADAELO Cc1cn(-c2cccc(N)c2)c[nH+]1 34438886 343119363 /nfs/dbraw/zinc/11/93/63/343119363.db2.gz XZAWNZXQVQUGCR-UHFFFAOYSA-N 1 2 173.219 1.763 10 0 ADAELO Cc1cn2ccc(CO)cc2[nH+]1 34465621 343119653 /nfs/dbraw/zinc/11/96/53/343119653.db2.gz JOVIMXXVXZSQMQ-UHFFFAOYSA-N 1 2 162.192 1.135 10 0 ADAELO CC1(C)COc2cc[nH+]cc21 34515259 343120621 /nfs/dbraw/zinc/12/06/21/343120621.db2.gz DHMYVLVWAMSABP-UHFFFAOYSA-N 1 2 149.193 1.752 10 0 ADAELO O=C(C[NH+]1CCCCC1)C(F)(F)F 34618941 343123791 /nfs/dbraw/zinc/12/37/91/343123791.db2.gz WCOACMMHVIHULO-UHFFFAOYSA-N 1 2 195.184 1.604 10 0 ADAELO [NH3+]CCc1ccccc1S 34761193 343124896 /nfs/dbraw/zinc/12/48/96/343124896.db2.gz KOUVUCNOXRRULI-UHFFFAOYSA-N 1 2 153.250 1.477 10 0 ADAELO Nc1ccc(Oc2cccnc2)c[nH+]1 34962969 343126729 /nfs/dbraw/zinc/12/67/29/343126729.db2.gz XLSZKJMSRGYEJC-UHFFFAOYSA-N 1 2 187.202 1.851 10 0 ADAELO Cc1ccc(C(=O)C[NH+](C)C)cc1 34989549 343127126 /nfs/dbraw/zinc/12/71/26/343127126.db2.gz RXEMUPLUYJHUSZ-UHFFFAOYSA-N 1 2 177.247 1.739 10 0 ADAELO Cc1nc2c(c(N)[nH+]1)c(C)c(C)n2C 34976282 343127167 /nfs/dbraw/zinc/12/71/67/343127167.db2.gz UKCGWZOELQRFFS-UHFFFAOYSA-N 1 2 190.250 1.476 10 0 ADAELO C[NH+](C)CC(=O)c1cc(F)ccc1F 34989563 343127237 /nfs/dbraw/zinc/12/72/37/343127237.db2.gz CVZQEMATZWIXCL-UHFFFAOYSA-N 1 2 199.200 1.709 10 0 ADAELO Cc1cc(C(=O)C[NH+](C)C)c(C)[nH]1 35054797 343127597 /nfs/dbraw/zinc/12/75/97/343127597.db2.gz JCPSRYBDWAWWHT-UHFFFAOYSA-N 1 2 180.251 1.376 10 0 ADAELO CC(=O)[C@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1 35019976 343127654 /nfs/dbraw/zinc/12/76/54/343127654.db2.gz ZFRAIOXZOVFHKC-HLTSFMKQSA-N 1 2 185.267 1.073 10 0 ADAELO C[NH+](C)CC(=O)c1ccc(F)cc1F 35224925 343130407 /nfs/dbraw/zinc/13/04/07/343130407.db2.gz JUNICBBFJYGHLV-UHFFFAOYSA-N 1 2 199.200 1.709 10 0 ADAELO C[C@H]1CSC(NCC(F)(F)F)=[NH+]1 35294841 343131831 /nfs/dbraw/zinc/13/18/31/343131831.db2.gz WLIRIGVRTONCKV-BYPYZUCNSA-N 1 2 198.213 1.630 10 0 ADAELO Cc1cc([NH2+][C@H](C)CO)ccc1N 35600352 343133476 /nfs/dbraw/zinc/13/34/76/343133476.db2.gz PTPRUTBZNWGSRW-MRVPVSSYSA-N 1 2 180.251 1.370 10 0 ADAELO Cc1cc([NH2+][C@@H](C)CO)ccc1N 35600351 343133531 /nfs/dbraw/zinc/13/35/31/343133531.db2.gz PTPRUTBZNWGSRW-QMMMGPOBSA-N 1 2 180.251 1.370 10 0 ADAELO Cc1cc([NH2+]C(C)(C)CO)ccc1N 35600026 343133739 /nfs/dbraw/zinc/13/37/39/343133739.db2.gz BYUZONXOPFLCQQ-UHFFFAOYSA-N 1 2 194.278 1.760 10 0 ADAELO Cc1cc([NH3+])ccc1NC[C@H](C)O 35600254 343133577 /nfs/dbraw/zinc/13/35/77/343133577.db2.gz VJDDXNATDMIIOT-QMMMGPOBSA-N 1 2 180.251 1.370 10 0 ADAELO Cc1cc([NH3+])ccc1N[C@@H](C)CO 35600380 343133586 /nfs/dbraw/zinc/13/35/86/343133586.db2.gz UHKAEAMZGRBDMX-QMMMGPOBSA-N 1 2 180.251 1.370 10 0 ADAELO Cc1cc([NH2+]C[C@H](C)O)ccc1N 35600224 343133592 /nfs/dbraw/zinc/13/35/92/343133592.db2.gz CNQSMGJPBVWJLD-QMMMGPOBSA-N 1 2 180.251 1.370 10 0 ADAELO CC[C@@H](CO)[NH2+]c1ccc(N)c(C)c1 35599912 343133650 /nfs/dbraw/zinc/13/36/50/343133650.db2.gz YSCKQCVEXXWNGG-VIFPVBQESA-N 1 2 194.278 1.760 10 0 ADAELO CC[C@@H](CO)Nc1ccc([NH3+])cc1C 35599946 343133692 /nfs/dbraw/zinc/13/36/92/343133692.db2.gz DYBWUXCYQNOXRX-JTQLQIEISA-N 1 2 194.278 1.760 10 0 ADAELO CC[C@H](CO)[NH2+]c1ccc(N)c(C)c1 35599913 343133725 /nfs/dbraw/zinc/13/37/25/343133725.db2.gz YSCKQCVEXXWNGG-SECBINFHSA-N 1 2 194.278 1.760 10 0 ADAELO Cc1cc([NH3+])ccc1NC[C@@H](C)O 35600253 343133754 /nfs/dbraw/zinc/13/37/54/343133754.db2.gz VJDDXNATDMIIOT-MRVPVSSYSA-N 1 2 180.251 1.370 10 0 ADAELO Cc1cc([NH2+]C[C@@H](C)O)ccc1N 35600222 343133800 /nfs/dbraw/zinc/13/38/00/343133800.db2.gz CNQSMGJPBVWJLD-MRVPVSSYSA-N 1 2 180.251 1.370 10 0 ADAELO Cc1c(N)cccc1Cn1cc[nH+]c1 35649180 343135169 /nfs/dbraw/zinc/13/51/69/343135169.db2.gz NYAOZWCGRTZXQN-UHFFFAOYSA-N 1 2 187.246 1.822 10 0 ADAELO Cc1[nH]c[nH+]c1-c1ccc(N)cc1 36155395 343140673 /nfs/dbraw/zinc/14/06/73/343140673.db2.gz ZHOYVFPSBCXAGM-UHFFFAOYSA-N 1 2 173.219 1.967 10 0 ADAELO Cc1[nH]cc(-c2ccc(N)cc2)[nH+]1 36155390 343140887 /nfs/dbraw/zinc/14/08/87/343140887.db2.gz QMXJGQJISYVTAH-UHFFFAOYSA-N 1 2 173.219 1.967 10 0 ADAELO Cc1[nH]c[nH+]c1-c1cccc(N)c1 36155401 343140960 /nfs/dbraw/zinc/14/09/60/343140960.db2.gz GZBUOJPEUXCGKQ-UHFFFAOYSA-N 1 2 173.219 1.967 10 0 ADAELO Cc1[nH+]c2sc3c(n2c1N)CCC3 36290619 343143233 /nfs/dbraw/zinc/14/32/33/343143233.db2.gz BKODUYPYZBWCPD-UHFFFAOYSA-N 1 2 193.275 1.775 10 0 ADAELO C[NH+](C)c1ccc(NCCO)cc1 36335516 343144437 /nfs/dbraw/zinc/14/44/37/343144437.db2.gz DUMYZASYTUXZPC-UHFFFAOYSA-N 1 2 180.251 1.157 10 0 ADAELO Cc1[nH+]c2ccc(N)cn2c1Cl 36683684 343148221 /nfs/dbraw/zinc/14/82/21/343148221.db2.gz QNOOEPPGBSQONJ-UHFFFAOYSA-N 1 2 181.626 1.878 10 0 ADAELO Cc1nc([C@H]([NH3+])c2ccsc2)no1 36762291 343149318 /nfs/dbraw/zinc/14/93/18/343149318.db2.gz OCAQZQGGQCJSBB-SSDOTTSWSA-N 1 2 195.247 1.488 10 0 ADAELO CC(C)Nc1ccc(N(C)C)[nH+]c1 36989092 343157310 /nfs/dbraw/zinc/15/73/10/343157310.db2.gz CBADASAAYFVMGJ-UHFFFAOYSA-N 1 2 179.267 1.968 10 0 ADAELO C[N@H+](Cc1csc(N)n1)C1CC1 37081156 343158472 /nfs/dbraw/zinc/15/84/72/343158472.db2.gz AMSCTXBHGGMMDJ-UHFFFAOYSA-N 1 2 183.280 1.320 10 0 ADAELO C[N@@H+](Cc1csc(N)n1)C1CC1 37081156 343158474 /nfs/dbraw/zinc/15/84/74/343158474.db2.gz AMSCTXBHGGMMDJ-UHFFFAOYSA-N 1 2 183.280 1.320 10 0 ADAELO CCCC[N@@H+]1CCC(=O)C1 37239829 343163319 /nfs/dbraw/zinc/16/33/19/343163319.db2.gz KWFATJMDSMSKPA-UHFFFAOYSA-N 1 2 141.214 1.061 10 0 ADAELO CCCC[N@H+]1CCC(=O)C1 37239829 343163323 /nfs/dbraw/zinc/16/33/23/343163323.db2.gz KWFATJMDSMSKPA-UHFFFAOYSA-N 1 2 141.214 1.061 10 0 ADAELO C[C@H]1C[N@@H+]([C@@H]2CCCCC2=O)CCO1 37332756 343165055 /nfs/dbraw/zinc/16/50/55/343165055.db2.gz FUTDLKLMDKZEJA-VHSXEESVSA-N 1 2 197.278 1.219 10 0 ADAELO C[C@H]1C[N@H+]([C@@H]2CCCCC2=O)CCO1 37332756 343165056 /nfs/dbraw/zinc/16/50/56/343165056.db2.gz FUTDLKLMDKZEJA-VHSXEESVSA-N 1 2 197.278 1.219 10 0 ADAELO Cc1cccc(C(=O)C[NH+](C)C)c1 37333602 343165137 /nfs/dbraw/zinc/16/51/37/343165137.db2.gz MIKKCLAVSJYZQO-UHFFFAOYSA-N 1 2 177.247 1.739 10 0 ADAELO C[NH+](C)CC(=O)c1c(F)cccc1F 37333563 343165142 /nfs/dbraw/zinc/16/51/42/343165142.db2.gz ZHKJUXOASAVUKH-UHFFFAOYSA-N 1 2 199.200 1.709 10 0 ADAELO C[C@H]1C[N@H+](CC(=O)C(C)(C)C)CCO1 37332943 343165155 /nfs/dbraw/zinc/16/51/55/343165155.db2.gz SZBBSPFULAPIRB-VIFPVBQESA-N 1 2 199.294 1.322 10 0 ADAELO C[C@H]1C[N@@H+](CC(=O)C(C)(C)C)CCO1 37332943 343165158 /nfs/dbraw/zinc/16/51/58/343165158.db2.gz SZBBSPFULAPIRB-VIFPVBQESA-N 1 2 199.294 1.322 10 0 ADAELO C[NH+](C)CC(=O)c1cccs1 37333608 343165325 /nfs/dbraw/zinc/16/53/25/343165325.db2.gz PSBUTSIVLRLIRT-UHFFFAOYSA-N 1 2 169.249 1.492 10 0 ADAELO C[NH+](C)CC(=O)c1ccco1 37333610 343165338 /nfs/dbraw/zinc/16/53/38/343165338.db2.gz KGNZBUVLHVOLGU-UHFFFAOYSA-N 1 2 153.181 1.024 10 0 ADAELO Cc1ccc(C(=O)C[NH+](C)C)s1 37333620 343165417 /nfs/dbraw/zinc/16/54/17/343165417.db2.gz HMGSVUVENCLBQD-UHFFFAOYSA-N 1 2 183.276 1.801 10 0 ADAELO C[C@H]1C[N@@H+]([C@@H]2CCCC2=O)C[C@@H](C)O1 37332444 343165437 /nfs/dbraw/zinc/16/54/37/343165437.db2.gz CEUFBXYYEKCIMJ-KXUCPTDWSA-N 1 2 197.278 1.217 10 0 ADAELO C[C@H]1C[N@H+]([C@@H]2CCCC2=O)C[C@@H](C)O1 37332444 343165440 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/nfs/dbraw/zinc/20/15/64/343201564.db2.gz UYAACKQSLQCTSM-APPZFPTMSA-N 1 2 168.240 1.547 10 0 ADAELO CC[C@]1(C)NC(=O)[C@@H]2CCC[N@@H+]21 39115833 343201591 /nfs/dbraw/zinc/20/15/91/343201591.db2.gz UYAACKQSLQCTSM-IONNQARKSA-N 1 2 168.240 1.547 10 0 ADAELO CC[C@]1(C)NC(=O)[C@@H]2CCC[N@H+]21 39115833 343201592 /nfs/dbraw/zinc/20/15/92/343201592.db2.gz UYAACKQSLQCTSM-IONNQARKSA-N 1 2 168.240 1.547 10 0 ADAELO Cc1cc(F)c(C)c[nH+]1 39116653 343201672 /nfs/dbraw/zinc/20/16/72/343201672.db2.gz QGCXFQUIVDKGPU-UHFFFAOYSA-N 1 2 125.146 1.838 10 0 ADAELO CN1c2ccccc2S[C@@H]1[NH3+] 39122321 343202411 /nfs/dbraw/zinc/20/24/11/343202411.db2.gz XVPUUGMMFIGPMT-MRVPVSSYSA-N 1 2 166.249 1.471 10 0 ADAELO CN1c2ccccc2S[C@H]1[NH3+] 39122323 343202533 /nfs/dbraw/zinc/20/25/33/343202533.db2.gz XVPUUGMMFIGPMT-QMMMGPOBSA-N 1 2 166.249 1.471 10 0 ADAELO CC(C)Oc1ccc(N(O)C=[NH2+])cn1 39122102 343202664 /nfs/dbraw/zinc/20/26/64/343202664.db2.gz HTOUYMIIAIVWFK-UHFFFAOYSA-N 1 2 195.222 1.671 10 0 ADAELO 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343235431 /nfs/dbraw/zinc/23/54/31/343235431.db2.gz LXUOBSWNUHPCQU-ZCFIWIBFSA-N 1 2 195.247 1.488 10 0 ADAELO Cc1nc([C@H]([NH3+])c2cccs2)no1 41672978 343235662 /nfs/dbraw/zinc/23/56/62/343235662.db2.gz VCDQMGRHMRQCDQ-SSDOTTSWSA-N 1 2 195.247 1.488 10 0 ADAELO Cc1nc([C@@H]([NH3+])c2cccs2)no1 41672981 343235667 /nfs/dbraw/zinc/23/56/67/343235667.db2.gz VCDQMGRHMRQCDQ-ZETCQYMHSA-N 1 2 195.247 1.488 10 0 ADAELO Cc1ccc([C@H]([NH3+])c2ncon2)s1 41676974 343235922 /nfs/dbraw/zinc/23/59/22/343235922.db2.gz QUQGRLRFKQMASZ-ZETCQYMHSA-N 1 2 195.247 1.488 10 0 ADAELO Cc1ccc([C@@H]([NH3+])c2ncon2)s1 41676978 343236066 /nfs/dbraw/zinc/23/60/66/343236066.db2.gz QUQGRLRFKQMASZ-SSDOTTSWSA-N 1 2 195.247 1.488 10 0 ADAELO C[C@H]1CCC[C@]([NH3+])(c2ncn[nH]2)C1 42040692 343236857 /nfs/dbraw/zinc/23/68/57/343236857.db2.gz URZLNNQAROQRSF-IONNQARKSA-N 1 2 180.255 1.169 10 0 ADAELO CCC1CCC([NH3+])(c2ncn[nH]2)CC1 42040678 343236891 /nfs/dbraw/zinc/23/68/91/343236891.db2.gz IQJDIDKNICWXNK-UHFFFAOYSA-N 1 2 194.282 1.559 10 0 ADAELO C[C@H]1CCC[C@@]([NH3+])(c2ncn[nH]2)C1 42040698 343236905 /nfs/dbraw/zinc/23/69/05/343236905.db2.gz URZLNNQAROQRSF-CBAPKCEASA-N 1 2 180.255 1.169 10 0 ADAELO CC(C)OCC[NH+]1CCC(=O)CC1 42223178 343238368 /nfs/dbraw/zinc/23/83/68/343238368.db2.gz PEAHAJDJLFWMOZ-UHFFFAOYSA-N 1 2 185.267 1.076 10 0 ADAELO Cc1cccc(N)c1-c1[nH]cc[nH+]1 42414903 343242005 /nfs/dbraw/zinc/24/20/05/343242005.db2.gz GWTYYHXEYIUTGY-UHFFFAOYSA-N 1 2 173.219 1.967 10 0 ADAELO Cc1ccc(N)cc1-c1[nH]cc[nH+]1 42414902 343242174 /nfs/dbraw/zinc/24/21/74/343242174.db2.gz IOKKVAMUKPPQIN-UHFFFAOYSA-N 1 2 173.219 1.967 10 0 ADAELO Cc1c(N)cccc1-c1[nH]cc[nH+]1 42414899 343242199 /nfs/dbraw/zinc/24/21/99/343242199.db2.gz DLFCDNZWJJKPQO-UHFFFAOYSA-N 1 2 173.219 1.967 10 0 ADAELO S=c1[nH]ccn1CCn1cc[nH+]c1 42541858 343245303 /nfs/dbraw/zinc/24/53/03/343245303.db2.gz DXMGGPFNRFNMGK-UHFFFAOYSA-N 1 2 194.263 1.442 10 0 ADAELO C[C@H](Cc1ccco1)[N@@H+]1CCC(=O)C1 42590052 343247861 /nfs/dbraw/zinc/24/78/61/343247861.db2.gz 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CC1CCC2(CC1)NC(=O)[C@H](C)[NH2+]2 42810146 343250094 /nfs/dbraw/zinc/25/00/94/343250094.db2.gz YUISUDPNLMPXJU-ZCUBBSJVSA-N 1 2 182.267 1.001 10 0 ADAELO O=C1C[NH2+]C2(CCCCCCC2)N1 42807192 343250136 /nfs/dbraw/zinc/25/01/36/343250136.db2.gz NUOZDVUHWZEZRQ-UHFFFAOYSA-N 1 2 182.267 1.146 10 0 ADAELO CC1CCC2(CC1)NC(=O)[C@@H](C)[NH2+]2 42810142 343250144 /nfs/dbraw/zinc/25/01/44/343250144.db2.gz YUISUDPNLMPXJU-CCNFQMFXSA-N 1 2 182.267 1.001 10 0 ADAELO CC(=O)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 43426490 343251984 /nfs/dbraw/zinc/25/19/84/343251984.db2.gz CSCLDGDIODZQBP-QWRGUYRKSA-N 1 2 197.278 1.219 10 0 ADAELO CC(=O)C[N@H+]1CCO[C@H]2CCCC[C@@H]21 43426490 343251986 /nfs/dbraw/zinc/25/19/86/343251986.db2.gz CSCLDGDIODZQBP-QWRGUYRKSA-N 1 2 197.278 1.219 10 0 ADAELO CC(=O)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 43426491 343252092 /nfs/dbraw/zinc/25/20/92/343252092.db2.gz CSCLDGDIODZQBP-WDEREUQCSA-N 1 2 197.278 1.219 10 0 ADAELO Cc1ccc(C(N)=S)c(N(C)C)[nH+]1 43396498 343252196 /nfs/dbraw/zinc/25/21/96/343252196.db2.gz XFMDHPVKFRFHBB-UHFFFAOYSA-N 1 2 195.291 1.090 10 0 ADAELO CC[C@H](C(N)=S)n1cc[nH+]c1 43540914 343254735 /nfs/dbraw/zinc/25/47/35/343254735.db2.gz VPPOTFGFUXWSRZ-ZCFIWIBFSA-N 1 2 169.253 1.120 10 0 ADAELO Cc1cc[nH+]c(Nc2cnn(C)c2)c1 43561477 343255641 /nfs/dbraw/zinc/25/56/41/343255641.db2.gz XABFTONPZRARJC-UHFFFAOYSA-N 1 2 188.234 1.867 10 0 ADAELO Cc1cc[nH+]c(NCc2nnc[nH]2)c1 43561523 343255699 /nfs/dbraw/zinc/25/56/99/343255699.db2.gz ORAHFEXIGSCGSO-UHFFFAOYSA-N 1 2 189.222 1.120 10 0 ADAELO Cc1cnn(-c2cc(N)cc[nH+]2)c1 43569339 343256263 /nfs/dbraw/zinc/25/62/63/343256263.db2.gz BBNRTQPODAWQRN-UHFFFAOYSA-N 1 2 174.207 1.158 10 0 ADAELO Cc1[nH+]c(N)[nH]c1C(=O)C(F)(F)F 44137442 343261300 /nfs/dbraw/zinc/26/13/00/343261300.db2.gz VLIQZYBIXJIVBV-UHFFFAOYSA-N 1 2 193.128 1.045 10 0 ADAELO O[C@@H]1CCCCC[C@H]1n1cc[nH+]c1 44180665 343261783 /nfs/dbraw/zinc/26/17/83/343261783.db2.gz VCNXVNBWXCZPBU-NXEZZACHSA-N 1 2 180.251 1.749 10 0 ADAELO CCc1nc(N)cc(C(C)C)[nH+]1 44262583 343263094 /nfs/dbraw/zinc/26/30/94/343263094.db2.gz PZBTZNCXADXLHE-UHFFFAOYSA-N 1 2 165.240 1.745 10 0 ADAELO Nc1cc[nH+]c2c(Cl)c[nH]c12 44713051 343268603 /nfs/dbraw/zinc/26/86/03/343268603.db2.gz NBGNSRDAOOIGJS-UHFFFAOYSA-N 1 2 167.599 1.799 10 0 ADAELO COc1c[nH+]c2[nH]ccc2c1N 44713371 343268910 /nfs/dbraw/zinc/26/89/10/343268910.db2.gz ILFMPRCSQPJDFD-UHFFFAOYSA-N 1 2 163.180 1.154 10 0 in-vitro ADAELO Cc1c(N)c[nH+]c2cc[nH]c12 44713406 343269026 /nfs/dbraw/zinc/26/90/26/343269026.db2.gz PEWXKKSKCBPCGX-UHFFFAOYSA-N 1 2 147.181 1.454 10 0 ADAELO Cc1cc(N[C@@H]2CC2(C)C)nc[nH+]1 45135605 343271224 /nfs/dbraw/zinc/27/12/24/343271224.db2.gz OTTLNTNJZRQHIZ-MRVPVSSYSA-N 1 2 177.251 1.995 10 0 ADAELO CC1(C)C[C@H]1[NH2+]Cc1ccn[nH]1 45117143 343271262 /nfs/dbraw/zinc/27/12/62/343271262.db2.gz HRURJTFLJKVEFM-MRVPVSSYSA-N 1 2 165.240 1.298 10 0 ADAELO Cc1cc2[nH+]c[nH]c2cc1CO 45238556 343272018 /nfs/dbraw/zinc/27/20/18/343272018.db2.gz CRRWJCDSJNOVLJ-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/27/89/35/343278935.db2.gz YFCKANRHOTZHPB-SNVBAGLBSA-N 1 2 193.246 1.833 10 0 ADAELO CCC(=O)C[N@@H+]1C[C@H](C)OC[C@@H]1C 50179801 343279172 /nfs/dbraw/zinc/27/91/72/343279172.db2.gz MWAUFPROJBOVME-IUCAKERBSA-N 1 2 185.267 1.075 10 0 ADAELO CCC(=O)C[N@H+]1C[C@H](C)OC[C@@H]1C 50179801 343279173 /nfs/dbraw/zinc/27/91/73/343279173.db2.gz MWAUFPROJBOVME-IUCAKERBSA-N 1 2 185.267 1.075 10 0 ADAELO CCC(=O)C[N@@H+]1C[C@H](C)O[C@H](C)C1 50179677 343279253 /nfs/dbraw/zinc/27/92/53/343279253.db2.gz RSIGRMMNKNNOCY-DTORHVGOSA-N 1 2 185.267 1.075 10 0 ADAELO CCC(=O)C[N@H+]1C[C@H](C)O[C@H](C)C1 50179677 343279254 /nfs/dbraw/zinc/27/92/54/343279254.db2.gz RSIGRMMNKNNOCY-DTORHVGOSA-N 1 2 185.267 1.075 10 0 ADAELO CCC(=O)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 50180111 343279287 /nfs/dbraw/zinc/27/92/87/343279287.db2.gz DVNBGIRSABOJGN-QWRGUYRKSA-N 1 2 197.278 1.219 10 0 ADAELO CCC(=O)C[N@H+]1CCO[C@H]2CCC[C@@H]21 50180111 343279289 /nfs/dbraw/zinc/27/92/89/343279289.db2.gz DVNBGIRSABOJGN-QWRGUYRKSA-N 1 2 197.278 1.219 10 0 ADAELO CCC(=O)C[N@@H+]1CCOC(C)(C)C1 50179841 343279305 /nfs/dbraw/zinc/27/93/05/343279305.db2.gz GQTDFCNVKMTWDK-UHFFFAOYSA-N 1 2 185.267 1.076 10 0 ADAELO CCC(=O)C[N@H+]1CCOC(C)(C)C1 50179841 343279307 /nfs/dbraw/zinc/27/93/07/343279307.db2.gz GQTDFCNVKMTWDK-UHFFFAOYSA-N 1 2 185.267 1.076 10 0 ADAELO CCC(=O)C[N@@H+]1C[C@@H](C)OC[C@@H]1C 50179802 343279318 /nfs/dbraw/zinc/27/93/18/343279318.db2.gz MWAUFPROJBOVME-DTWKUNHWSA-N 1 2 185.267 1.075 10 0 ADAELO CCC(=O)C[N@H+]1C[C@@H](C)OC[C@@H]1C 50179802 343279319 /nfs/dbraw/zinc/27/93/19/343279319.db2.gz MWAUFPROJBOVME-DTWKUNHWSA-N 1 2 185.267 1.075 10 0 ADAELO CCC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 50180112 343279347 /nfs/dbraw/zinc/27/93/47/343279347.db2.gz DVNBGIRSABOJGN-WDEREUQCSA-N 1 2 197.278 1.219 10 0 ADAELO CCC(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 50180112 343279348 /nfs/dbraw/zinc/27/93/48/343279348.db2.gz DVNBGIRSABOJGN-WDEREUQCSA-N 1 2 197.278 1.219 10 0 ADAELO CCC(=O)C[N@@H+]1CCOCC1(C)C 50179935 343279352 /nfs/dbraw/zinc/27/93/52/343279352.db2.gz BUGFXRLYUIISGJ-UHFFFAOYSA-N 1 2 185.267 1.076 10 0 ADAELO CCC(=O)C[N@H+]1CCOCC1(C)C 50179935 343279354 /nfs/dbraw/zinc/27/93/54/343279354.db2.gz BUGFXRLYUIISGJ-UHFFFAOYSA-N 1 2 185.267 1.076 10 0 ADAELO C[C@H]1CCC[N@@H+]1Cc1nnsc1N 50791639 343285664 /nfs/dbraw/zinc/28/56/64/343285664.db2.gz SJRVFYHEPOZZER-LURJTMIESA-N 1 2 198.295 1.105 10 0 ADAELO C[C@H]1CCC[N@H+]1Cc1nnsc1N 50791639 343285668 /nfs/dbraw/zinc/28/56/68/343285668.db2.gz SJRVFYHEPOZZER-LURJTMIESA-N 1 2 198.295 1.105 10 0 ADAELO CCc1nc(NC)c(CC)c(C)[nH+]1 50849241 343286178 /nfs/dbraw/zinc/28/61/78/343286178.db2.gz QLCJAIDPWJZLSZ-UHFFFAOYSA-N 1 2 179.267 1.952 10 0 ADAELO CC(C)c1nc(N)c2c([nH+]1)CCC2 50844566 343286238 /nfs/dbraw/zinc/28/62/38/343286238.db2.gz OKRCWGLLBRDUJG-UHFFFAOYSA-N 1 2 177.251 1.671 10 0 ADAELO CCc1nc(N)c2c([nH+]1)CCCC2 50846692 343286288 /nfs/dbraw/zinc/28/62/88/343286288.db2.gz KTDBTJBHJSAMGJ-UHFFFAOYSA-N 1 2 177.251 1.500 10 0 ADAELO Cc1cc(N)nc(C[C@H]2CCCO2)[nH+]1 50845065 343286295 /nfs/dbraw/zinc/28/62/95/343286295.db2.gz WPQLKEFBUJKUCD-MRVPVSSYSA-N 1 2 193.250 1.089 10 0 ADAELO CCOCc1ccc(NC)[nH+]c1 50830499 343286315 /nfs/dbraw/zinc/28/63/15/343286315.db2.gz FABXIPZVOJZQPL-UHFFFAOYSA-N 1 2 166.224 1.660 10 0 ADAELO CCc1nc(NC)c2c([nH+]1)CCC2 50847477 343286379 /nfs/dbraw/zinc/28/63/79/343286379.db2.gz AYBHUCNWIXMUSU-UHFFFAOYSA-N 1 2 177.251 1.569 10 0 ADAELO CC(C)OCc1ccc(N)[nH+]c1 50831819 343286392 /nfs/dbraw/zinc/28/63/92/343286392.db2.gz MTRRVZKEXCYKPW-UHFFFAOYSA-N 1 2 166.224 1.589 10 0 ADAELO Cc1cc(N)nc(C[C@@H]2CCCO2)[nH+]1 50845063 343286412 /nfs/dbraw/zinc/28/64/12/343286412.db2.gz WPQLKEFBUJKUCD-QMMMGPOBSA-N 1 2 193.250 1.089 10 0 ADAELO CCc1nc(N)c(CC)c(C)[nH+]1 50845298 343286423 /nfs/dbraw/zinc/28/64/23/343286423.db2.gz BTSUFAXPPOTFBQ-UHFFFAOYSA-N 1 2 165.240 1.492 10 0 ADAELO CCc1cc(N)nc(C(C)(C)C)[nH+]1 50846236 343286445 /nfs/dbraw/zinc/28/64/45/343286445.db2.gz ZKWGNRUAQPARTH-UHFFFAOYSA-N 1 2 179.267 1.919 10 0 ADAELO Cc1nc(N)c2c([nH+]1)CCCC2 50846690 343286459 /nfs/dbraw/zinc/28/64/59/343286459.db2.gz MZQDWWJYKLNUKN-UHFFFAOYSA-N 1 2 163.224 1.246 10 0 ADAELO CCc1cc(NC)nc(C2CC2)[nH+]1 50850870 343286464 /nfs/dbraw/zinc/28/64/64/343286464.db2.gz RFBUWBPWIHQEFZ-UHFFFAOYSA-N 1 2 177.251 1.958 10 0 ADAELO CCC(=O)C[NH+]1Cc2ccccc2C1 50911671 343286661 /nfs/dbraw/zinc/28/66/61/343286661.db2.gz ODNVBSJJUKICJJ-UHFFFAOYSA-N 1 2 189.258 1.981 10 0 ADAELO CC(=O)[C@@H](C)[NH+]1Cc2ccccc2C1 50911686 343287043 /nfs/dbraw/zinc/28/70/43/343287043.db2.gz FWOVPOUIZHFRKC-SECBINFHSA-N 1 2 189.258 1.980 10 0 ADAELO C[C@@H]1CCN(c2cccc(CO)[nH+]2)C1 51041918 343288244 /nfs/dbraw/zinc/28/82/44/343288244.db2.gz XLCBQFACSPQRAN-SECBINFHSA-N 1 2 192.262 1.420 10 0 ADAELO CC(C)N(C)c1cccc(CO)[nH+]1 51041742 343288393 /nfs/dbraw/zinc/28/83/93/343288393.db2.gz CFOKKLPBPAMLFI-UHFFFAOYSA-N 1 2 180.251 1.419 10 0 ADAELO COCc1nc(C(C)C)cc(NN)[nH+]1 51153258 343289208 /nfs/dbraw/zinc/28/92/08/343289208.db2.gz PCKSONRFDIXTTB-UHFFFAOYSA-N 1 2 196.254 1.032 10 0 ADAELO CCc1cc(N)nc([C@H]2CCOC2)[nH+]1 51691696 343291731 /nfs/dbraw/zinc/29/17/31/343291731.db2.gz WHSZKSYWCDSWTE-ZETCQYMHSA-N 1 2 193.250 1.125 10 0 ADAELO CCc1cc(N)nc([C@@H]2CCOC2)[nH+]1 51691694 343291890 /nfs/dbraw/zinc/29/18/90/343291890.db2.gz WHSZKSYWCDSWTE-SSDOTTSWSA-N 1 2 193.250 1.125 10 0 ADAELO CCc1ccc([C@@H]([NH3+])C(=O)OC)s1 51720122 343292109 /nfs/dbraw/zinc/29/21/09/343292109.db2.gz QSLZTHHBKMOWDK-MRVPVSSYSA-N 1 2 199.275 1.483 10 0 ADAELO CCc1ccc([C@H]([NH3+])C(=O)OC)s1 51720120 343292302 /nfs/dbraw/zinc/29/23/02/343292302.db2.gz QSLZTHHBKMOWDK-QMMMGPOBSA-N 1 2 199.275 1.483 10 0 ADAELO Cc1cc([NH3+])ccc1N(C)C[C@@H](C)O 51819685 343294019 /nfs/dbraw/zinc/29/40/19/343294019.db2.gz RJTQKDNLGCEMHN-SECBINFHSA-N 1 2 194.278 1.394 10 0 ADAELO Cc1cc([NH3+])ccc1N(C)C[C@H](C)O 51819686 343294113 /nfs/dbraw/zinc/29/41/13/343294113.db2.gz RJTQKDNLGCEMHN-VIFPVBQESA-N 1 2 194.278 1.394 10 0 ADAELO CCn1cc[nH+]c1CNc1cn[nH]c1 51921493 343295500 /nfs/dbraw/zinc/29/55/00/343295500.db2.gz APKSIZNQYLXDBH-UHFFFAOYSA-N 1 2 191.238 1.238 10 0 ADAELO Cc1[nH+]cn(-c2ccc(N)nc2)c1C 51925489 343296166 /nfs/dbraw/zinc/29/61/66/343296166.db2.gz MHNKXGMUISKWGT-UHFFFAOYSA-N 1 2 188.234 1.466 10 0 ADAELO Cc1[nH+]cn(-c2ncccc2N)c1C 51925448 343296187 /nfs/dbraw/zinc/29/61/87/343296187.db2.gz LLBVWBXAMNLOSG-UHFFFAOYSA-N 1 2 188.234 1.466 10 0 ADAELO Cc1cc(N)nc(C2CCOCC2)[nH+]1 52177303 343301851 /nfs/dbraw/zinc/30/18/51/343301851.db2.gz BOFJMGFNJAXWAE-UHFFFAOYSA-N 1 2 193.250 1.261 10 0 ADAELO CCc1cc(N[C@H]2C[C@@H]2C)nc[nH+]1 52290559 343304562 /nfs/dbraw/zinc/30/45/62/343304562.db2.gz RIYMRRPKHJTCJG-CBAPKCEASA-N 1 2 177.251 1.859 10 0 ADAELO CCc1cc(N[C@H]2C[C@H]2C)nc[nH+]1 52290563 343304568 /nfs/dbraw/zinc/30/45/68/343304568.db2.gz RIYMRRPKHJTCJG-APPZFPTMSA-N 1 2 177.251 1.859 10 0 ADAELO C[C@H]1C[C@@H]1Nc1cccc[nH+]1 52290836 343304591 /nfs/dbraw/zinc/30/45/91/343304591.db2.gz VTVXWKOETNTMIH-YUMQZZPRSA-N 1 2 148.209 1.902 10 0 ADAELO C[C@H]1C[C@H]1Nc1cccc[nH+]1 52290842 343304594 /nfs/dbraw/zinc/30/45/94/343304594.db2.gz VTVXWKOETNTMIH-JGVFFNPUSA-N 1 2 148.209 1.902 10 0 ADAELO Cc1cc(N[C@H]2C[C@H]2C)nc[nH+]1 52290542 343304626 /nfs/dbraw/zinc/30/46/26/343304626.db2.gz IJQKXSZXWGBFAN-SVRRBLITSA-N 1 2 163.224 1.605 10 0 ADAELO CCc1cc(N[C@@H]2C[C@H]2C)nc[nH+]1 52290561 343304667 /nfs/dbraw/zinc/30/46/67/343304667.db2.gz RIYMRRPKHJTCJG-VXNVDRBHSA-N 1 2 177.251 1.859 10 0 ADAELO C[NH+](C)Cc1cccnc1Cl 52709012 343306541 /nfs/dbraw/zinc/30/65/41/343306541.db2.gz AKENKXLJDJVWED-UHFFFAOYSA-N 1 2 170.643 1.797 10 0 ADAELO CC(C)OCc1cc[nH+]c(N)c1 52754867 343307161 /nfs/dbraw/zinc/30/71/61/343307161.db2.gz GBRRDCVFAYSXAZ-UHFFFAOYSA-N 1 2 166.224 1.589 10 0 ADAELO Cc1cc(N)cnc1-n1cc[nH+]c1 52813581 343307460 /nfs/dbraw/zinc/30/74/60/343307460.db2.gz JOAKCOZLFUNJOV-UHFFFAOYSA-N 1 2 174.207 1.158 10 0 ADAELO Cc1cccc(-c2[nH+]cn(N)c2N)c1 52838193 343310661 /nfs/dbraw/zinc/31/06/61/343310661.db2.gz AEBBQDBHKUKRHF-UHFFFAOYSA-N 1 2 188.234 1.155 10 0 ADAELO Cc1ccccc1-c1[nH+]cn(N)c1N 52838177 343310717 /nfs/dbraw/zinc/31/07/17/343310717.db2.gz ILEXYIKBILUSPA-UHFFFAOYSA-N 1 2 188.234 1.155 10 0 ADAELO COC(=[NH2+])Cc1cccnc1 53132338 343312838 /nfs/dbraw/zinc/31/28/38/343312838.db2.gz CCUJLPLTOAMCJT-UHFFFAOYSA-N 1 2 150.181 1.248 10 0 ADAELO Cc1ccn(-c2cc(N)cc[nH+]2)n1 52855847 343311080 /nfs/dbraw/zinc/31/10/80/343311080.db2.gz MOZCOANCICHOSK-UHFFFAOYSA-N 1 2 174.207 1.158 10 0 ADAELO Cc1ccn(-c2ccc(N)[nH+]c2)n1 52855775 343311254 /nfs/dbraw/zinc/31/12/54/343311254.db2.gz HUTSNZUGPWIPON-UHFFFAOYSA-N 1 2 174.207 1.158 10 0 ADAELO COC(=[NH2+])Cc1cccs1 52900858 343311541 /nfs/dbraw/zinc/31/15/41/343311541.db2.gz CUQJIYJEYVTOKK-UHFFFAOYSA-N 1 2 155.222 1.914 10 0 ADAELO Cc1ccc(C[NH+]2CCC(=O)CC2)o1 53038186 343312390 /nfs/dbraw/zinc/31/23/90/343312390.db2.gz LWOVGNPOSVEDAQ-UHFFFAOYSA-N 1 2 193.246 1.753 10 0 ADAELO [NH3+][C@@H](c1n[nH]c(C2CC2)n1)C1CC1 54503943 343325672 /nfs/dbraw/zinc/32/56/72/343325672.db2.gz 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1 2 180.251 1.681 10 0 ADAELO COCc1[nH]c2c([nH+]1)CC[C@@H](C)C2 127528738 343813145 /nfs/dbraw/zinc/81/31/45/343813145.db2.gz FOJJFPVNJTWLMX-SSDOTTSWSA-N 1 2 180.251 1.681 10 0 ADAELO C[C@H]1CCc2nc(C[NH+](C)C)[nH]c2C1 127538219 343813312 /nfs/dbraw/zinc/81/33/12/343813312.db2.gz WPCOPRAHBTUFFT-QMMMGPOBSA-N 1 2 193.294 1.596 10 0 ADAELO C[C@H]1CCc2[nH]c(C[NH+](C)C)nc2C1 127538219 343813314 /nfs/dbraw/zinc/81/33/14/343813314.db2.gz WPCOPRAHBTUFFT-QMMMGPOBSA-N 1 2 193.294 1.596 10 0 ADAELO C[C@@H]1CCc2nc(C[NH+](C)C)[nH]c2C1 127537981 343813449 /nfs/dbraw/zinc/81/34/49/343813449.db2.gz WPCOPRAHBTUFFT-MRVPVSSYSA-N 1 2 193.294 1.596 10 0 ADAELO C[C@@H]1CCc2[nH]c(C[NH+](C)C)nc2C1 127537981 343813450 /nfs/dbraw/zinc/81/34/50/343813450.db2.gz WPCOPRAHBTUFFT-MRVPVSSYSA-N 1 2 193.294 1.596 10 0 ADAELO CC(C)OC(=O)[C@@]1(C)CCCC[NH2+]1 127586284 343814617 /nfs/dbraw/zinc/81/46/17/343814617.db2.gz JZSMIKWIKGARQV-SNVBAGLBSA-N 1 2 185.267 1.470 10 0 ADAELO CC(C)OC(=O)[C@]1(C)CCCC[NH2+]1 127586083 343814693 /nfs/dbraw/zinc/81/46/93/343814693.db2.gz JZSMIKWIKGARQV-JTQLQIEISA-N 1 2 185.267 1.470 10 0 ADAELO CSC[C@@H](C)[N@@H+]1CCC(=O)C1 127688864 343816965 /nfs/dbraw/zinc/81/69/65/343816965.db2.gz PIXDYHIIABJPKH-SSDOTTSWSA-N 1 2 173.281 1.013 10 0 ADAELO CSC[C@@H](C)[N@H+]1CCC(=O)C1 127688864 343816967 /nfs/dbraw/zinc/81/69/67/343816967.db2.gz PIXDYHIIABJPKH-SSDOTTSWSA-N 1 2 173.281 1.013 10 0 ADAELO Cc1c(N(C)C2CCC2)nc[nH+]c1N 128058212 343823984 /nfs/dbraw/zinc/82/39/84/343823984.db2.gz QDZVXXHGUMVSMH-UHFFFAOYSA-N 1 2 192.266 1.356 10 0 ADAELO Cc1c(N)nc[nH+]c1N(C)C1CCC1 128058212 343823986 /nfs/dbraw/zinc/82/39/86/343823986.db2.gz QDZVXXHGUMVSMH-UHFFFAOYSA-N 1 2 192.266 1.356 10 0 ADAELO CN(c1c[nH+]cc(N)c1)C1CCC1 128059400 343824059 /nfs/dbraw/zinc/82/40/59/343824059.db2.gz IFSQSJXMKKCDGD-UHFFFAOYSA-N 1 2 177.251 1.653 10 0 ADAELO C[C@H](O)C(C)(C)Nc1cccc[nH+]1 128429654 343831190 /nfs/dbraw/zinc/83/11/90/343831190.db2.gz GKUJSVIHRIUEMJ-QMMMGPOBSA-N 1 2 180.251 1.653 10 0 ADAELO C[C@@H](O)C(C)(C)Nc1cccc[nH+]1 128429881 343831423 /nfs/dbraw/zinc/83/14/23/343831423.db2.gz GKUJSVIHRIUEMJ-MRVPVSSYSA-N 1 2 180.251 1.653 10 0 ADAELO CC(C)[C@H](C)CN1C(=O)[C@H](C)[NH2+][C@H]1C 128539252 343833276 /nfs/dbraw/zinc/83/32/76/343833276.db2.gz OJSMANRZIKOUOO-KXUCPTDWSA-N 1 2 198.310 1.445 10 0 ADAELO CC(C)[C@H](C)CN1C(=O)[C@H](C)[NH2+][C@@H]1C 128539697 343833368 /nfs/dbraw/zinc/83/33/68/343833368.db2.gz OJSMANRZIKOUOO-UTLUCORTSA-N 1 2 198.310 1.445 10 0 ADAELO CC(C)[C@@H](C)CN1C(=O)C[NH2+][C@@H]1C 128554963 343833979 /nfs/dbraw/zinc/83/39/79/343833979.db2.gz CLIMVVQISVZADY-IUCAKERBSA-N 1 2 184.283 1.056 10 0 ADAELO CC(C)[C@H](C)CN1C(=O)C[NH2+][C@H]1C 128554325 343834161 /nfs/dbraw/zinc/83/41/61/343834161.db2.gz CLIMVVQISVZADY-RKDXNWHRSA-N 1 2 184.283 1.056 10 0 ADAELO CCNc1c[nH+]cc(N[C@H](C)CO)c1 128570210 343834188 /nfs/dbraw/zinc/83/41/88/343834188.db2.gz PRORMJCXVVDBKK-MRVPVSSYSA-N 1 2 195.266 1.306 10 0 ADAELO CCOC(=[NH2+])c1cn(C)nc1C 128570711 343834203 /nfs/dbraw/zinc/83/42/03/343834203.db2.gz RKLKIJQHKKCLSH-UHFFFAOYSA-N 1 2 167.212 1.090 10 0 ADAELO CC(C)[C@H](C)CN1C(=O)C[NH2+][C@@H]1C 128554575 343834269 /nfs/dbraw/zinc/83/42/69/343834269.db2.gz CLIMVVQISVZADY-BDAKNGLRSA-N 1 2 184.283 1.056 10 0 ADAELO COC(=[NH2+])c1cn(C)nc1C(C)(C)C 128570014 343834273 /nfs/dbraw/zinc/83/42/73/343834273.db2.gz KNVNPEISJTVIQF-UHFFFAOYSA-N 1 2 195.266 1.689 10 0 ADAELO CC(C)[C@@H](C)CN1C(=O)C[NH2+][C@H]1C 128554785 343834285 /nfs/dbraw/zinc/83/42/85/343834285.db2.gz CLIMVVQISVZADY-DTWKUNHWSA-N 1 2 184.283 1.056 10 0 ADAELO CCc1[nH+]ccn1-c1ncc(F)cn1 128616177 343834690 /nfs/dbraw/zinc/83/46/90/343834690.db2.gz PTIIYJMSLQLWHY-UHFFFAOYSA-N 1 2 192.197 1.364 10 0 ADAELO Cc1[nH+]ccn1-c1ncc(F)cn1 128615935 343834861 /nfs/dbraw/zinc/83/48/61/343834861.db2.gz KVLIQCAUTGMSRD-UHFFFAOYSA-N 1 2 178.170 1.110 10 0 ADAELO Cc1nn(C)cc1[C@H]1[NH2+]CCCS1 128688646 343835978 /nfs/dbraw/zinc/83/59/78/343835978.db2.gz UXTLLTWVVCIOIJ-VIFPVBQESA-N 1 2 197.307 1.454 10 0 ADAELO Cc1nn(C)cc1[C@@H]1[NH2+]CCCS1 128688428 343836200 /nfs/dbraw/zinc/83/62/00/343836200.db2.gz UXTLLTWVVCIOIJ-SECBINFHSA-N 1 2 197.307 1.454 10 0 ADAELO C[NH2+][C@@H](c1cn(C)nc1C)C(F)F 128792661 343837327 /nfs/dbraw/zinc/83/73/27/343837327.db2.gz UAXOOTSZIOQLIQ-ZETCQYMHSA-N 1 2 189.209 1.254 10 0 ADAELO C[NH2+][C@H](c1cn(C)nc1C)C(F)F 128792866 343837587 /nfs/dbraw/zinc/83/75/87/343837587.db2.gz UAXOOTSZIOQLIQ-SSDOTTSWSA-N 1 2 189.209 1.254 10 0 ADAELO CO[NH2+][C@@H]1CCCC[C@@H]1C 132958982 343908464 /nfs/dbraw/zinc/90/84/64/343908464.db2.gz BYKUWRUMSDGGGZ-JGVFFNPUSA-N 1 2 143.230 1.716 10 0 ADAELO c1ccc2c(c1)OC[C@H]2c1[nH]cc[nH+]1 128927825 343840696 /nfs/dbraw/zinc/84/06/96/343840696.db2.gz MJDHXAVHMBOWHE-SECBINFHSA-N 1 2 186.214 1.934 10 0 ADAELO COC(=[NH2+])C1(OC)CCCC1 128927007 343840751 /nfs/dbraw/zinc/84/07/51/343840751.db2.gz CFWVPKUNQJGLSH-UHFFFAOYSA-N 1 2 157.213 1.569 10 0 ADAELO c1ccc2c(c1)OC[C@@H]2c1[nH]cc[nH+]1 128928055 343840807 /nfs/dbraw/zinc/84/08/07/343840807.db2.gz MJDHXAVHMBOWHE-VIFPVBQESA-N 1 2 186.214 1.934 10 0 ADAELO CC[NH2+]c1ccc(N)c(C(C)=O)c1 128966700 343841207 /nfs/dbraw/zinc/84/12/07/343841207.db2.gz VKGQAWAMHKPWJL-UHFFFAOYSA-N 1 2 178.235 1.903 10 0 ADAELO C[NH2+]c1ccc(N)c(C(C)=O)c1 128966228 343841538 /nfs/dbraw/zinc/84/15/38/343841538.db2.gz WLRBZWHQKUDQLA-UHFFFAOYSA-N 1 2 164.208 1.513 10 0 ADAELO Nc1cc[nH+]c(C[C@@H]2CCCCO2)n1 129104309 343843782 /nfs/dbraw/zinc/84/37/82/343843782.db2.gz VBMNPDBWFIJDRZ-QMMMGPOBSA-N 1 2 193.250 1.170 10 0 ADAELO CO[C@@H](C)Cc1nc(N)c(C)c(C)[nH+]1 129104948 343844395 /nfs/dbraw/zinc/84/43/95/343844395.db2.gz HLIMLJVWEJHNLT-LURJTMIESA-N 1 2 195.266 1.253 10 0 ADAELO Cc1c[nH+]cc(NC[C@@H]2CCOC2)c1 129111438 343844415 /nfs/dbraw/zinc/84/44/15/343844415.db2.gz UJYKFDYRAZSWPN-JTQLQIEISA-N 1 2 192.262 1.838 10 0 ADAELO Cc1c[nH+]cc(NC[C@H]2CCOC2)c1 129111634 343844518 /nfs/dbraw/zinc/84/45/18/343844518.db2.gz UJYKFDYRAZSWPN-SNVBAGLBSA-N 1 2 192.262 1.838 10 0 ADAELO CO[C@H](C)Cc1nc(N)c(C)c(C)[nH+]1 129104743 343844532 /nfs/dbraw/zinc/84/45/32/343844532.db2.gz HLIMLJVWEJHNLT-ZCFIWIBFSA-N 1 2 195.266 1.253 10 0 ADAELO Nc1cc[nH+]c(C[C@H]2CCCCO2)n1 129104529 343844693 /nfs/dbraw/zinc/84/46/93/343844693.db2.gz VBMNPDBWFIJDRZ-MRVPVSSYSA-N 1 2 193.250 1.170 10 0 ADAELO CSCC[N@@H+]1CCCC(=O)C1 129184821 343845672 /nfs/dbraw/zinc/84/56/72/343845672.db2.gz XBKAHEJZUACZQZ-UHFFFAOYSA-N 1 2 173.281 1.014 10 0 ADAELO CSCC[N@H+]1CCCC(=O)C1 129184821 343845674 /nfs/dbraw/zinc/84/56/74/343845674.db2.gz XBKAHEJZUACZQZ-UHFFFAOYSA-N 1 2 173.281 1.014 10 0 ADAELO Cc1cc(-c2ccnn2C)c[nH+]c1N 129734421 343855896 /nfs/dbraw/zinc/85/58/96/343855896.db2.gz LBWGRRHOLZLPSV-UHFFFAOYSA-N 1 2 188.234 1.373 10 0 ADAELO Cc1cc(-c2nccn2C)c[nH+]c1N 129735096 343855934 /nfs/dbraw/zinc/85/59/34/343855934.db2.gz HEKYLAKTXGRHIV-UHFFFAOYSA-N 1 2 188.234 1.373 10 0 ADAELO Cc1cc(-c2[nH+]ccn2C)cnc1N 129735096 343855936 /nfs/dbraw/zinc/85/59/36/343855936.db2.gz HEKYLAKTXGRHIV-UHFFFAOYSA-N 1 2 188.234 1.373 10 0 ADAELO C[C@H]1[NH2+]CN(C2C(C)(C)C2(C)C)C1=O 129800635 343856778 /nfs/dbraw/zinc/85/67/78/343856778.db2.gz ORPIVLVXZXKBBV-SSDOTTSWSA-N 1 2 196.294 1.199 10 0 ADAELO C[C@@H]1[NH2+]CN(C2C(C)(C)C2(C)C)C1=O 129800838 343856918 /nfs/dbraw/zinc/85/69/18/343856918.db2.gz ORPIVLVXZXKBBV-ZETCQYMHSA-N 1 2 196.294 1.199 10 0 ADAELO C[C@@H]1[NH2+]CN([C@@H]2CCCC2(C)C)C1=O 129886734 343858785 /nfs/dbraw/zinc/85/87/85/343858785.db2.gz KFRQONWFHFPALG-DTWKUNHWSA-N 1 2 196.294 1.343 10 0 ADAELO C[C@H]1[NH2+]CN([C@@H]2CCCC2(C)C)C1=O 129886521 343858828 /nfs/dbraw/zinc/85/88/28/343858828.db2.gz KFRQONWFHFPALG-RKDXNWHRSA-N 1 2 196.294 1.343 10 0 ADAELO C[C@@H]1[NH2+]CN([C@H]2CCCC2(C)C)C1=O 129887160 343858835 /nfs/dbraw/zinc/85/88/35/343858835.db2.gz KFRQONWFHFPALG-IUCAKERBSA-N 1 2 196.294 1.343 10 0 ADAELO C[C@H]1[NH2+]CN([C@H]2CCCC2(C)C)C1=O 129886948 343858948 /nfs/dbraw/zinc/85/89/48/343858948.db2.gz KFRQONWFHFPALG-BDAKNGLRSA-N 1 2 196.294 1.343 10 0 ADAELO CNC(=O)Nc1ccc(C)[nH+]c1C 130114339 343862684 /nfs/dbraw/zinc/86/26/84/343862684.db2.gz HGWWPVNPYRAAIK-UHFFFAOYSA-N 1 2 179.223 1.450 10 0 ADAELO Nc1cc[nH+]c(OCC(F)F)c1 130417601 343867876 /nfs/dbraw/zinc/86/78/76/343867876.db2.gz ZPVDQWXLAVEMPM-UHFFFAOYSA-N 1 2 174.150 1.308 10 0 ADAELO Cn1c[nH+]cc1[C@@H](O)Cc1ccoc1 130473018 343869337 /nfs/dbraw/zinc/86/93/37/343869337.db2.gz UPLHKMOFFDOUMK-JTQLQIEISA-N 1 2 192.218 1.289 10 0 ADAELO Cn1c[nH+]cc1[C@H](O)Cc1ccco1 130473237 343869405 /nfs/dbraw/zinc/86/94/05/343869405.db2.gz QHHNXTCSIXLERJ-SNVBAGLBSA-N 1 2 192.218 1.289 10 0 ADAELO Cn1c[nH+]cc1[C@@H](O)Cc1ccco1 130473392 343869442 /nfs/dbraw/zinc/86/94/42/343869442.db2.gz QHHNXTCSIXLERJ-JTQLQIEISA-N 1 2 192.218 1.289 10 0 ADAELO Cn1c[nH+]cc1[C@H](O)Cc1ccoc1 130472836 343869457 /nfs/dbraw/zinc/86/94/57/343869457.db2.gz UPLHKMOFFDOUMK-SNVBAGLBSA-N 1 2 192.218 1.289 10 0 ADAELO C[C@@H]1C[N@H+](Cc2ccoc2)CCC1=O 130735580 343874092 /nfs/dbraw/zinc/87/40/92/343874092.db2.gz UVGCRELPKDMLAH-SECBINFHSA-N 1 2 193.246 1.691 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/nfs/dbraw/zinc/87/66/62/343876662.db2.gz RMVZWMHPFHYUDN-QMMMGPOBSA-N 1 2 178.191 1.279 10 0 ADAELO Cc1cc(NC2CC=CC2)nc[nH+]1 131094853 343879846 /nfs/dbraw/zinc/87/98/46/343879846.db2.gz GNLUGXKJWDFTKH-UHFFFAOYSA-N 1 2 175.235 1.916 10 0 ADAELO Nc1[nH+]cccc1-c1cnco1 131130212 343880335 /nfs/dbraw/zinc/88/03/35/343880335.db2.gz XMXXPJKAGODUPR-UHFFFAOYSA-N 1 2 161.164 1.319 10 0 ADAELO CCn1c[nH+]cc1-c1ccc(N)nc1 131188595 343881272 /nfs/dbraw/zinc/88/12/72/343881272.db2.gz KMNPMEHBXCNBGY-UHFFFAOYSA-N 1 2 188.234 1.547 10 0 ADAELO CCn1cncc1-c1cc[nH+]c(N)c1 131190721 343881672 /nfs/dbraw/zinc/88/16/72/343881672.db2.gz WKYLBEBTQFWUPY-UHFFFAOYSA-N 1 2 188.234 1.547 10 0 ADAELO Nc1[nH+]cccc1-c1c[nH]cn1 131215404 343882073 /nfs/dbraw/zinc/88/20/73/343882073.db2.gz GZQABWPQDRHNDA-UHFFFAOYSA-N 1 2 160.180 1.054 10 0 ADAELO Cn1c[nH+]cc1-c1cccnc1N 131233662 343882344 /nfs/dbraw/zinc/88/23/44/343882344.db2.gz UMXYAIVIVRCXIT-UHFFFAOYSA-N 1 2 174.207 1.064 10 0 ADAELO Cn1cncc1-c1cc[nH+]c(N)c1 131235635 343883039 /nfs/dbraw/zinc/88/30/39/343883039.db2.gz HPELYDMHWIGJPM-UHFFFAOYSA-N 1 2 174.207 1.064 10 0 ADAELO [NH3+][C@@H](c1ccco1)c1ncccc1F 131343217 343884149 /nfs/dbraw/zinc/88/41/49/343884149.db2.gz VRKAMYJPHUMBAQ-VIFPVBQESA-N 1 2 192.193 1.862 10 0 ADAELO CC(C)C1(O)C[NH+](Cc2ccoc2)C1 131876959 343890368 /nfs/dbraw/zinc/89/03/68/343890368.db2.gz LOYVIAXEMPKKHA-UHFFFAOYSA-N 1 2 195.262 1.482 10 0 ADAELO Cc1cc(N)cc(-c2[nH]cc[nH+]2)c1 131972438 343891885 /nfs/dbraw/zinc/89/18/85/343891885.db2.gz GLMXAEPSGMMSHP-UHFFFAOYSA-N 1 2 173.219 1.967 10 0 ADAELO ONC1CCN(c2cccc[nH+]2)CC1 132029510 343892720 /nfs/dbraw/zinc/89/27/20/343892720.db2.gz SINSHUQSOIOGOJ-UHFFFAOYSA-N 1 2 193.250 1.029 10 0 ADAELO c1cn(Cc2ccoc2)c[nH+]1 132070095 343893365 /nfs/dbraw/zinc/89/33/65/343893365.db2.gz LFABUFGIOBQYKO-UHFFFAOYSA-N 1 2 148.165 1.524 10 0 ADAELO C[C@@H]1[NH2+]CN(C[C@@H](C)C(C)(C)C)C1=O 132318597 343896877 /nfs/dbraw/zinc/89/68/77/343896877.db2.gz GXJQAEJUYQABOA-BDAKNGLRSA-N 1 2 198.310 1.446 10 0 ADAELO Cc1cc(N)ccc1[NH2+][C@H](C)CCO 132334089 343896885 /nfs/dbraw/zinc/89/68/85/343896885.db2.gz JFMLBHMEULFGPJ-SECBINFHSA-N 1 2 194.278 1.760 10 0 ADAELO C[C@H]1[NH2+]CN(C[C@H](C)C(C)(C)C)C1=O 132318765 343896921 /nfs/dbraw/zinc/89/69/21/343896921.db2.gz GXJQAEJUYQABOA-DTWKUNHWSA-N 1 2 198.310 1.446 10 0 ADAELO C[C@@H]1[NH2+]CN(C[C@H](C)C(C)(C)C)C1=O 132318987 343896969 /nfs/dbraw/zinc/89/69/69/343896969.db2.gz GXJQAEJUYQABOA-IUCAKERBSA-N 1 2 198.310 1.446 10 0 ADAELO C[C@@H](CCO)[NH2+]c1ccc(N)cc1F 132356380 343897469 /nfs/dbraw/zinc/89/74/69/343897469.db2.gz ACEHNJIIZNXYDK-ZETCQYMHSA-N 1 2 198.241 1.591 10 0 ADAELO C[C@H](CCO)[NH2+]c1ccc(N)cc1F 132356532 343897511 /nfs/dbraw/zinc/89/75/11/343897511.db2.gz ACEHNJIIZNXYDK-SSDOTTSWSA-N 1 2 198.241 1.591 10 0 ADAELO C[C@H](CN1C(=O)C[NH2+][C@H]1C)C(C)(C)C 132392212 343897797 /nfs/dbraw/zinc/89/77/97/343897797.db2.gz ZFWNXMSLZIMGII-RKDXNWHRSA-N 1 2 198.310 1.446 10 0 ADAELO CC[C@H]1[NH2+]C2(CCCC2)C(=O)N1C 132476509 343898719 /nfs/dbraw/zinc/89/87/19/343898719.db2.gz WFZMYMXGRBCZAN-QMMMGPOBSA-N 1 2 182.267 1.097 10 0 ADAELO CC(C)C[C@@H]1[NH2+][C@@H](C(C)C)C(=O)N1C 132489156 343898845 /nfs/dbraw/zinc/89/88/45/343898845.db2.gz PZGNQNBJMPKLFQ-ZJUUUORDSA-N 1 2 198.310 1.445 10 0 ADAELO CC(C)C[C@H]1[NH2+][C@@H](C(C)C)C(=O)N1C 132489356 343898878 /nfs/dbraw/zinc/89/88/78/343898878.db2.gz PZGNQNBJMPKLFQ-UWVGGRQHSA-N 1 2 198.310 1.445 10 0 ADAELO CC[C@@H]1[NH2+]C2(CCCC2)C(=O)N1C 132476280 343898887 /nfs/dbraw/zinc/89/88/87/343898887.db2.gz WFZMYMXGRBCZAN-MRVPVSSYSA-N 1 2 182.267 1.097 10 0 ADAELO CC(C)C[C@@H]1[NH2+][C@H](C(C)C)C(=O)N1C 132488757 343898997 /nfs/dbraw/zinc/89/89/97/343898997.db2.gz PZGNQNBJMPKLFQ-NXEZZACHSA-N 1 2 198.310 1.445 10 0 ADAELO CC(C)C[C@H]1[NH2+][C@H](C(C)C)C(=O)N1C 132488952 343899012 /nfs/dbraw/zinc/89/90/12/343899012.db2.gz PZGNQNBJMPKLFQ-VHSXEESVSA-N 1 2 198.310 1.445 10 0 ADAELO CC[C@@]1(C)[NH2+][C@@H](CC(C)C)N(C)C1=O 132502531 343899500 /nfs/dbraw/zinc/89/95/00/343899500.db2.gz ZYAKRZVVMIRRLU-MWLCHTKSSA-N 1 2 198.310 1.589 10 0 ADAELO CC[C@@]1(C)[NH2+][C@H](CC(C)C)N(C)C1=O 132502927 343899512 /nfs/dbraw/zinc/89/95/12/343899512.db2.gz ZYAKRZVVMIRRLU-GXSJLCMTSA-N 1 2 198.310 1.589 10 0 ADAELO CC[C@]1(C)[NH2+][C@H](CC(C)C)N(C)C1=O 132503136 343899565 /nfs/dbraw/zinc/89/95/65/343899565.db2.gz ZYAKRZVVMIRRLU-ONGXEEELSA-N 1 2 198.310 1.589 10 0 ADAELO CC[C@@H]1[NH2+][C@@H](C2CCCC2)N(C)C1=O 132552013 343900123 /nfs/dbraw/zinc/90/01/23/343900123.db2.gz VWOQTZKXOFWYKJ-VHSXEESVSA-N 1 2 196.294 1.343 10 0 ADAELO CC[C@H]1[NH2+][C@@H](C2CCCC2)N(C)C1=O 132551841 343900325 /nfs/dbraw/zinc/90/03/25/343900325.db2.gz VWOQTZKXOFWYKJ-NXEZZACHSA-N 1 2 196.294 1.343 10 0 ADAELO CC[C@H]1[NH2+][C@H](C2CCCC2)N(C)C1=O 132552201 343900378 /nfs/dbraw/zinc/90/03/78/343900378.db2.gz VWOQTZKXOFWYKJ-ZJUUUORDSA-N 1 2 196.294 1.343 10 0 ADAELO CC[C@@H]1[NH2+][C@H](C2CCCC2)N(C)C1=O 132552422 343900654 /nfs/dbraw/zinc/90/06/54/343900654.db2.gz VWOQTZKXOFWYKJ-UWVGGRQHSA-N 1 2 196.294 1.343 10 0 ADAELO CCC[C@@H]1[NH2+][C@@H](C(C)C)C(=O)N1C 132566245 343900735 /nfs/dbraw/zinc/90/07/35/343900735.db2.gz DVMMXPHMOPEGGZ-BDAKNGLRSA-N 1 2 184.283 1.199 10 0 ADAELO CC[C@H]1[NH2+][C@@H](CC(C)C)C(=O)N1C 132600709 343901344 /nfs/dbraw/zinc/90/13/44/343901344.db2.gz UCXXPPGHHVSDED-IUCAKERBSA-N 1 2 184.283 1.199 10 0 ADAELO CCC[C@H]1[NH2+][C@H](C(C)C)C(=O)N1C 132566054 343900874 /nfs/dbraw/zinc/90/08/74/343900874.db2.gz DVMMXPHMOPEGGZ-DTWKUNHWSA-N 1 2 184.283 1.199 10 0 ADAELO CCC[C@@H]1[NH2+][C@H](C(C)C)C(=O)N1C 132565836 343900896 /nfs/dbraw/zinc/90/08/96/343900896.db2.gz DVMMXPHMOPEGGZ-RKDXNWHRSA-N 1 2 184.283 1.199 10 0 ADAELO CCC[C@H]1[NH2+][C@@H](C(C)C)C(=O)N1C 132566452 343901033 /nfs/dbraw/zinc/90/10/33/343901033.db2.gz DVMMXPHMOPEGGZ-IUCAKERBSA-N 1 2 184.283 1.199 10 0 ADAELO CC[C@H]1[NH2+][C@H](CC(C)C)C(=O)N1C 132600279 343901292 /nfs/dbraw/zinc/90/12/92/343901292.db2.gz UCXXPPGHHVSDED-BDAKNGLRSA-N 1 2 184.283 1.199 10 0 ADAELO c1ccc(NCc2csnn2)[nH+]c1 132598229 343901436 /nfs/dbraw/zinc/90/14/36/343901436.db2.gz WYKPYHZUFJVAGX-UHFFFAOYSA-N 1 2 192.247 1.545 10 0 ADAELO CC[C@@H]1[NH2+][C@@H](CC(C)C)C(=O)N1C 132600524 343901475 /nfs/dbraw/zinc/90/14/75/343901475.db2.gz UCXXPPGHHVSDED-DTWKUNHWSA-N 1 2 184.283 1.199 10 0 ADAELO CC[C@@H]1[NH2+][C@H](CC(C)C)C(=O)N1C 132600077 343901493 /nfs/dbraw/zinc/90/14/93/343901493.db2.gz UCXXPPGHHVSDED-RKDXNWHRSA-N 1 2 184.283 1.199 10 0 ADAELO Cc1cnc([C@H]([NH3+])c2ccoc2)nc1 132656186 343901797 /nfs/dbraw/zinc/90/17/97/343901797.db2.gz HACPQFOLULPDAJ-SECBINFHSA-N 1 2 189.218 1.426 10 0 ADAELO CC[C@]1(C)[NH2+][C@H](C(C)C)N(C)C1=O 132627101 343901805 /nfs/dbraw/zinc/90/18/05/343901805.db2.gz NFFOQWAGLTZRCX-WPRPVWTQSA-N 1 2 184.283 1.199 10 0 ADAELO CC[C@@]1(C)[NH2+][C@H](C(C)C)N(C)C1=O 132626905 343901854 /nfs/dbraw/zinc/90/18/54/343901854.db2.gz NFFOQWAGLTZRCX-WCBMZHEXSA-N 1 2 184.283 1.199 10 0 ADAELO CC[C@]1(C)[NH2+][C@@H](C(C)C)N(C)C1=O 132626665 343901870 /nfs/dbraw/zinc/90/18/70/343901870.db2.gz NFFOQWAGLTZRCX-SCZZXKLOSA-N 1 2 184.283 1.199 10 0 ADAELO CCC[C@@H]1[NH2+]C2(CCCC2)C(=O)N1C 132627295 343901872 /nfs/dbraw/zinc/90/18/72/343901872.db2.gz JSVUFGMNSKHRJY-SECBINFHSA-N 1 2 196.294 1.487 10 0 ADAELO CCC[C@H]1[NH2+][C@](C)(CC)C(=O)N1C 132623805 343901896 /nfs/dbraw/zinc/90/18/96/343901896.db2.gz ULHWRVHWPIDSDP-WCBMZHEXSA-N 1 2 184.283 1.343 10 0 ADAELO CCC[C@@H]1[NH2+][C@@](C)(CC)C(=O)N1C 132623194 343901981 /nfs/dbraw/zinc/90/19/81/343901981.db2.gz ULHWRVHWPIDSDP-SCZZXKLOSA-N 1 2 184.283 1.343 10 0 ADAELO CC[C@H](C)[C@H]1[NH2+][C@H](CC)N(C)C1=O 132690323 343902340 /nfs/dbraw/zinc/90/23/40/343902340.db2.gz XGHVIYXJHBLCEJ-XHNCKOQMSA-N 1 2 184.283 1.199 10 0 ADAELO CC(C)[C@@H]1[NH2+]C2(CCCC2)C(=O)N1C 132694242 343902377 /nfs/dbraw/zinc/90/23/77/343902377.db2.gz PRMLHYIADDFWRM-SECBINFHSA-N 1 2 196.294 1.343 10 0 ADAELO CC[C@@H]1[NH2+][C@@H](CC(C)C)N(C)C1=O 132666651 343902517 /nfs/dbraw/zinc/90/25/17/343902517.db2.gz VYUPNRIYOWHGKQ-DTWKUNHWSA-N 1 2 184.283 1.199 10 0 ADAELO CC[C@H]1[NH2+][C@@H](CC(C)C)N(C)C1=O 132666449 343902535 /nfs/dbraw/zinc/90/25/35/343902535.db2.gz VYUPNRIYOWHGKQ-RKDXNWHRSA-N 1 2 184.283 1.199 10 0 ADAELO CC(C)C[C@@H]1[NH2+][C@@H](C(C)C)N(C)C1=O 132674626 343902629 /nfs/dbraw/zinc/90/26/29/343902629.db2.gz MCIQLRWOSNMTIE-VHSXEESVSA-N 1 2 198.310 1.445 10 0 ADAELO CN1C(=O)C2(CC2)[NH2+][C@@H]1C1CCCC1 132741670 343902970 /nfs/dbraw/zinc/90/29/70/343902970.db2.gz XDFGTBVTYMWURW-VIFPVBQESA-N 1 2 194.278 1.097 10 0 ADAELO CC(C)[C@H]1[NH2+]C2(CCCC2)C(=O)N1C 132694427 343902975 /nfs/dbraw/zinc/90/29/75/343902975.db2.gz PRMLHYIADDFWRM-VIFPVBQESA-N 1 2 196.294 1.343 10 0 ADAELO CN1C(=O)C2(CC2)[NH2+][C@H]1C1CCCC1 132741502 343903067 /nfs/dbraw/zinc/90/30/67/343903067.db2.gz XDFGTBVTYMWURW-SECBINFHSA-N 1 2 194.278 1.097 10 0 ADAELO CC[N@@H+]1CCO[C@H](c2nccs2)C1 132777448 343903485 /nfs/dbraw/zinc/90/34/85/343903485.db2.gz GBWVLCKNSQWWSV-QMMMGPOBSA-N 1 2 198.291 1.536 10 0 ADAELO CC[N@H+]1CCO[C@H](c2nccs2)C1 132777448 343903487 /nfs/dbraw/zinc/90/34/87/343903487.db2.gz GBWVLCKNSQWWSV-QMMMGPOBSA-N 1 2 198.291 1.536 10 0 ADAELO CC[N@@H+]1CCO[C@@H](c2nccs2)C1 132777667 343903605 /nfs/dbraw/zinc/90/36/05/343903605.db2.gz GBWVLCKNSQWWSV-MRVPVSSYSA-N 1 2 198.291 1.536 10 0 ADAELO CC[N@H+]1CCO[C@@H](c2nccs2)C1 132777667 343903607 /nfs/dbraw/zinc/90/36/07/343903607.db2.gz GBWVLCKNSQWWSV-MRVPVSSYSA-N 1 2 198.291 1.536 10 0 ADAELO Cc1cnc(C(=[NH2+])NC(C)C)nc1 132750268 343903612 /nfs/dbraw/zinc/90/36/12/343903612.db2.gz QKPWEMWXHIAMJH-UHFFFAOYSA-N 1 2 178.239 1.108 10 0 ADAELO Cc1cnc(C(=[NH2+])NC(C)(C)C)nc1 132750775 343903669 /nfs/dbraw/zinc/90/36/69/343903669.db2.gz QKGHFXUSURIGDO-UHFFFAOYSA-N 1 2 192.266 1.498 10 0 ADAELO Cc1occc1-c1[nH]cc[nH+]1 132914720 343907403 /nfs/dbraw/zinc/90/74/03/343907403.db2.gz ZTBDDQXQRXUSTQ-UHFFFAOYSA-N 1 2 148.165 1.978 10 0 ADAELO CO[NH2+][C@@H]1C[C@H](C)CC[C@H]1C 132955321 343908170 /nfs/dbraw/zinc/90/81/70/343908170.db2.gz WFJDIJHQNHYWQE-IWSPIJDZSA-N 1 2 157.257 1.962 10 0 ADAELO CO[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C 132955126 343908177 /nfs/dbraw/zinc/90/81/77/343908177.db2.gz WFJDIJHQNHYWQE-XHNCKOQMSA-N 1 2 157.257 1.962 10 0 ADAELO CO[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C 132954916 343908274 /nfs/dbraw/zinc/90/82/74/343908274.db2.gz WFJDIJHQNHYWQE-HRDYMLBCSA-N 1 2 157.257 1.962 10 0 ADAELO CO[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C 132955551 343908322 /nfs/dbraw/zinc/90/83/22/343908322.db2.gz WFJDIJHQNHYWQE-DJLDLDEBSA-N 1 2 157.257 1.962 10 0 ADAELO CO[NH2+][C@H]1CCCC[C@H]1C 132958365 343908362 /nfs/dbraw/zinc/90/83/62/343908362.db2.gz BYKUWRUMSDGGGZ-SFYZADRCSA-N 1 2 143.230 1.716 10 0 ADAELO CO[NH2+][C@H]1CCCC[C@@H]1C 132958585 343908382 /nfs/dbraw/zinc/90/83/82/343908382.db2.gz BYKUWRUMSDGGGZ-YUMQZZPRSA-N 1 2 143.230 1.716 10 0 ADAELO CO[NH2+][C@@H]1CCCC[C@H]1C 132958782 343908409 /nfs/dbraw/zinc/90/84/09/343908409.db2.gz BYKUWRUMSDGGGZ-HTQZYQBOSA-N 1 2 143.230 1.716 10 0 ADAELO CO[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C 133009908 343909911 /nfs/dbraw/zinc/90/99/11/343909911.db2.gz SYDLXEHSKOEWOV-IWSPIJDZSA-N 1 2 157.257 1.962 10 0 ADAELO CO[NH2+][C@@H]1CC[C@H](C)C[C@H]1C 133010086 343910071 /nfs/dbraw/zinc/91/00/71/343910071.db2.gz SYDLXEHSKOEWOV-DJLDLDEBSA-N 1 2 157.257 1.962 10 0 ADAELO CC[C@H]([NH2+]OC)C(C)C 133017613 343910416 /nfs/dbraw/zinc/91/04/16/343910416.db2.gz CIOUMASPCHPCOH-ZETCQYMHSA-N 1 2 131.219 1.572 10 0 ADAELO CCc1cnccc1C(=[NH2+])OC 133021085 343910480 /nfs/dbraw/zinc/91/04/80/343910480.db2.gz CZWLYXRHNYSTBL-UHFFFAOYSA-N 1 2 164.208 1.616 10 0 ADAELO CC[C@@H]([NH2+]OC)C(C)C 133017747 343910531 /nfs/dbraw/zinc/91/05/31/343910531.db2.gz CIOUMASPCHPCOH-SSDOTTSWSA-N 1 2 131.219 1.572 10 0 ADAELO CCO[NH2+][C@H](C)C1CC1 133044997 343910963 /nfs/dbraw/zinc/91/09/63/343910963.db2.gz RGAGICSTDXCFNH-ZCFIWIBFSA-N 1 2 129.203 1.326 10 0 ADAELO CCO[NH2+][C@@H](C)C1CC1 133044798 343911158 /nfs/dbraw/zinc/91/11/58/343911158.db2.gz RGAGICSTDXCFNH-LURJTMIESA-N 1 2 129.203 1.326 10 0 ADAELO CCCNc1cc[nH+]c(OC)c1 133160164 343912522 /nfs/dbraw/zinc/91/25/22/343912522.db2.gz DDJIMOMIWFTKCR-UHFFFAOYSA-N 1 2 166.224 1.912 10 0 ADAELO COc1cc(NC(C)C)cc[nH+]1 133160391 343912536 /nfs/dbraw/zinc/91/25/36/343912536.db2.gz WPWQNXBRHOYJRD-UHFFFAOYSA-N 1 2 166.224 1.911 10 0 ADAELO COc1cc(NC2CC2)cc[nH+]1 133161225 343912709 /nfs/dbraw/zinc/91/27/09/343912709.db2.gz SGBNVWXGZHHCPA-UHFFFAOYSA-N 1 2 164.208 1.665 10 0 ADAELO COc1cc(NC2CC(O)C2)cc[nH+]1 133214592 343912980 /nfs/dbraw/zinc/91/29/80/343912980.db2.gz PQPMABHDJYVEPU-UHFFFAOYSA-N 1 2 194.234 1.025 10 0 ADAELO COc1cc(N[C@@H]2C[C@@H]2C)cc[nH+]1 133194676 343913154 /nfs/dbraw/zinc/91/31/54/343913154.db2.gz URWROEYCLPPAKV-IONNQARKSA-N 1 2 178.235 1.911 10 0 ADAELO COc1cc(Nn2cccc2)cc[nH+]1 133216299 343913301 /nfs/dbraw/zinc/91/33/01/343913301.db2.gz DPEXZPNZGIFGFR-UHFFFAOYSA-N 1 2 189.218 1.767 10 0 ADAELO COc1cc(N[C@H]2C[C@H]2C)cc[nH+]1 133194070 343913348 /nfs/dbraw/zinc/91/33/48/343913348.db2.gz URWROEYCLPPAKV-APPZFPTMSA-N 1 2 178.235 1.911 10 0 ADAELO COc1cc(N[C@H]2C[C@@H]2C)cc[nH+]1 133194282 343913371 /nfs/dbraw/zinc/91/33/71/343913371.db2.gz URWROEYCLPPAKV-CBAPKCEASA-N 1 2 178.235 1.911 10 0 ADAELO C[C@H]1C[N@@H+]([C@H]2CCCC2=O)C[C@@H](C)O1 133290480 343915273 /nfs/dbraw/zinc/91/52/73/343915273.db2.gz CEUFBXYYEKCIMJ-AEJSXWLSSA-N 1 2 197.278 1.217 10 0 ADAELO C[C@H]1C[N@H+]([C@H]2CCCC2=O)C[C@@H](C)O1 133290480 343915274 /nfs/dbraw/zinc/91/52/74/343915274.db2.gz CEUFBXYYEKCIMJ-AEJSXWLSSA-N 1 2 197.278 1.217 10 0 ADAELO CC(=O)[C@@H](C)[N@@H+]1C[C@H](C)O[C@H](C)C1 133292437 343915372 /nfs/dbraw/zinc/91/53/72/343915372.db2.gz ZFRAIOXZOVFHKC-HRDYMLBCSA-N 1 2 185.267 1.073 10 0 ADAELO CC(=O)[C@@H](C)[N@H+]1C[C@H](C)O[C@H](C)C1 133292437 343915374 /nfs/dbraw/zinc/91/53/74/343915374.db2.gz ZFRAIOXZOVFHKC-HRDYMLBCSA-N 1 2 185.267 1.073 10 0 ADAELO COc1cc(-n2cc[nH+]c2)ccn1 133309582 343915385 /nfs/dbraw/zinc/91/53/85/343915385.db2.gz AVMDYCJRBREYFB-UHFFFAOYSA-N 1 2 175.191 1.276 10 0 ADAELO Cc1ccn(-c2cc(N)c(C)c[nH+]2)n1 133321730 343915789 /nfs/dbraw/zinc/91/57/89/343915789.db2.gz XBXYLVFEJINZMO-UHFFFAOYSA-N 1 2 188.234 1.466 10 0 ADAELO Cc1c[nH+]c(-n2cccn2)cc1N 133317425 343915840 /nfs/dbraw/zinc/91/58/40/343915840.db2.gz SSTHDSYXIBRJMN-UHFFFAOYSA-N 1 2 174.207 1.158 10 0 ADAELO Cc1cnn(-c2cc(N)c(C)c[nH+]2)c1 133318972 343915959 /nfs/dbraw/zinc/91/59/59/343915959.db2.gz HZZZMGZCNSKMLK-UHFFFAOYSA-N 1 2 188.234 1.466 10 0 ADAELO C[NH2+][C@]1(C(F)F)CCO[C@@H]1C 133336235 343916339 /nfs/dbraw/zinc/91/63/39/343916339.db2.gz ZYCLSXCGGNRDIL-IYSWYEEDSA-N 1 2 165.183 1.019 10 0 ADAELO C[NH2+][C@]1(C(F)F)CCO[C@H]1C 133336444 343916278 /nfs/dbraw/zinc/91/62/78/343916278.db2.gz ZYCLSXCGGNRDIL-CAHLUQPWSA-N 1 2 165.183 1.019 10 0 ADAELO C[NH2+][C@@]1(C(F)F)CCO[C@@H]1C 133335834 343916287 /nfs/dbraw/zinc/91/62/87/343916287.db2.gz ZYCLSXCGGNRDIL-VDTYLAMSSA-N 1 2 165.183 1.019 10 0 ADAELO C[NH2+][C@@]1(C(F)F)CCO[C@H]1C 133336028 343916300 /nfs/dbraw/zinc/91/63/00/343916300.db2.gz ZYCLSXCGGNRDIL-FSPLSTOPSA-N 1 2 165.183 1.019 10 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/nfs/dbraw/zinc/93/36/87/343933687.db2.gz ZNNLHAIXIRKISG-RKDXNWHRSA-N 1 2 156.273 1.631 10 0 ADAELO CCC[C@@H]1[NH+]=C(NC(C)(C)C)NC1=O 133754787 343926216 /nfs/dbraw/zinc/92/62/16/343926216.db2.gz CJYYCIYPGRTLPI-ZETCQYMHSA-N 1 2 197.282 1.029 10 0 ADAELO CCC[C@H]1[NH+]=C(NC(C)(C)C)NC1=O 133754552 343926352 /nfs/dbraw/zinc/92/63/52/343926352.db2.gz CJYYCIYPGRTLPI-SSDOTTSWSA-N 1 2 197.282 1.029 10 0 ADAELO CC[C@@]1(C)[NH+]=C(NC(C)(C)C)NC1=O 133760874 343926379 /nfs/dbraw/zinc/92/63/79/343926379.db2.gz XEZTYJDPYKCVLI-SNVBAGLBSA-N 1 2 197.282 1.029 10 0 ADAELO CC[C@]1(C)[NH+]=C(NC(C)(C)C)NC1=O 133761068 343926391 /nfs/dbraw/zinc/92/63/91/343926391.db2.gz XEZTYJDPYKCVLI-JTQLQIEISA-N 1 2 197.282 1.029 10 0 ADAELO CO[C@@H]1CCCC[C@H]1[NH2+]N(C)C 134167015 343935743 /nfs/dbraw/zinc/93/57/43/343935743.db2.gz KFIRCDNQFJSRHM-RKDXNWHRSA-N 1 2 172.272 1.010 10 0 ADAELO Cc1noc([C@H]([NH3+])c2cccs2)n1 133884062 343928784 /nfs/dbraw/zinc/92/87/84/343928784.db2.gz INCTXUKVANUCSS-SSDOTTSWSA-N 1 2 195.247 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OZDUEDCIDJCDLR-UHFFFAOYSA-N 1 2 197.286 1.243 10 0 ADAELO COc1ccn2c(C)[nH+]c(C=O)c2c1 133991788 343930977 /nfs/dbraw/zinc/93/09/77/343930977.db2.gz LGDFVFBRTLPEEZ-UHFFFAOYSA-N 1 2 190.202 1.464 10 0 ADAELO COc1cccc2c(C=O)[nH+]c(C)n12 133990990 343931150 /nfs/dbraw/zinc/93/11/50/343931150.db2.gz AQBOMKPSMNPCAP-UHFFFAOYSA-N 1 2 190.202 1.464 10 0 ADAELO C[C@@H]([NH2+]N(C)C)C1CCCC1 134027568 343931652 /nfs/dbraw/zinc/93/16/52/343931652.db2.gz PBLSOCFXDLISNU-MRVPVSSYSA-N 1 2 156.273 1.631 10 0 ADAELO C[C@H]([NH2+]N(C)C)C1CCCC1 134027366 343931755 /nfs/dbraw/zinc/93/17/55/343931755.db2.gz PBLSOCFXDLISNU-QMMMGPOBSA-N 1 2 156.273 1.631 10 0 ADAELO Cc1[nH+]c(CO)c2n1CC[C@@H](C)C2 134043210 343932122 /nfs/dbraw/zinc/93/21/22/343932122.db2.gz OICUGUWWUANFFD-SSDOTTSWSA-N 1 2 180.251 1.266 10 0 ADAELO Cc1[nH+]c(CO)c2n1CCCC2 134041132 343932124 /nfs/dbraw/zinc/93/21/24/343932124.db2.gz JWPSUKQBWGXWOM-UHFFFAOYSA-N 1 2 166.224 1.020 10 0 ADAELO Cc1[nH+]c(CO)c2n1[C@@H](C)CCC2 134042370 343932151 /nfs/dbraw/zinc/93/21/51/343932151.db2.gz HZPJFYDDOGCWGH-ZETCQYMHSA-N 1 2 180.251 1.581 10 0 ADAELO Cc1[nH+]c(CO)c2c(F)cccn12 134044142 343932157 /nfs/dbraw/zinc/93/21/57/343932157.db2.gz SDYXPPQVUVJBKA-UHFFFAOYSA-N 1 2 180.182 1.274 10 0 ADAELO Cc1[nH+]c(CO)c2n1CC[C@H](C)C2 134043002 343932174 /nfs/dbraw/zinc/93/21/74/343932174.db2.gz OICUGUWWUANFFD-ZETCQYMHSA-N 1 2 180.251 1.266 10 0 ADAELO Cc1[nH+]c(CO)c2n1CCC[C@@H]2C 134043405 343932239 /nfs/dbraw/zinc/93/22/39/343932239.db2.gz UWFMIDGFWSSTBO-ZETCQYMHSA-N 1 2 180.251 1.581 10 0 ADAELO Cc1[nH+]c(CO)c2n1[C@H](C)CCC2 134042202 343932291 /nfs/dbraw/zinc/93/22/91/343932291.db2.gz HZPJFYDDOGCWGH-SSDOTTSWSA-N 1 2 180.251 1.581 10 0 ADAELO Cc1[nH+]c(CO)c2n1CCC[C@H]2C 134043589 343932463 /nfs/dbraw/zinc/93/24/63/343932463.db2.gz UWFMIDGFWSSTBO-SSDOTTSWSA-N 1 2 180.251 1.581 10 0 ADAELO CCc1[nH+]c(CO)c2c(F)cccn12 134098928 343933188 /nfs/dbraw/zinc/93/31/88/343933188.db2.gz AUJKRJJHBKFCGO-UHFFFAOYSA-N 1 2 194.209 1.528 10 0 ADAELO CC[C@@]1(C)C[C@@H]([NH2+]N(C)C)CCO1 134084328 343933261 /nfs/dbraw/zinc/93/32/61/343933261.db2.gz DDPAVHXYUVXYGF-UWVGGRQHSA-N 1 2 186.299 1.400 10 0 ADAELO C[C@@H]1CCC[C@H]([NH2+]N(C)C)C1 134095875 343933268 /nfs/dbraw/zinc/93/32/68/343933268.db2.gz ZNNLHAIXIRKISG-BDAKNGLRSA-N 1 2 156.273 1.631 10 0 ADAELO CC(C)[C@H]1C[C@@H]([NH2+]N(C)C)CCO1 134091739 343933303 /nfs/dbraw/zinc/93/33/03/343933303.db2.gz HKCOACAPXUUYSO-VHSXEESVSA-N 1 2 186.299 1.256 10 0 ADAELO CCc1[nH+]c(CO)c2n1CCC[C@@H]2C 134098147 343933318 /nfs/dbraw/zinc/93/33/18/343933318.db2.gz DEEGLVLPJDNIEN-QMMMGPOBSA-N 1 2 194.278 1.835 10 0 ADAELO CC(C)[C@@H]1C[C@H]([NH2+]N(C)C)CCO1 134091117 343933333 /nfs/dbraw/zinc/93/33/33/343933333.db2.gz HKCOACAPXUUYSO-ZJUUUORDSA-N 1 2 186.299 1.256 10 0 ADAELO CC(C)[C@H]1C[C@H]([NH2+]N(C)C)CCO1 134091359 343933367 /nfs/dbraw/zinc/93/33/67/343933367.db2.gz HKCOACAPXUUYSO-NXEZZACHSA-N 1 2 186.299 1.256 10 0 ADAELO CC[C@@]1(C)C[C@H]([NH2+]N(C)C)CCO1 134083931 343933460 /nfs/dbraw/zinc/93/34/60/343933460.db2.gz DDPAVHXYUVXYGF-ZJUUUORDSA-N 1 2 186.299 1.400 10 0 ADAELO CC(C)[C@@H]1C[C@@H]([NH2+]N(C)C)CCO1 134091530 343933480 /nfs/dbraw/zinc/93/34/80/343933480.db2.gz HKCOACAPXUUYSO-UWVGGRQHSA-N 1 2 186.299 1.256 10 0 ADAELO CCc1[nH+]c(CO)c2n1CC[C@H](C)C2 134097694 343933560 /nfs/dbraw/zinc/93/35/60/343933560.db2.gz WQQPGNXPPUETGQ-QMMMGPOBSA-N 1 2 194.278 1.520 10 0 ADAELO C[C@H]1CCC[C@H]([NH2+]N(C)C)C1 134096097 343933584 /nfs/dbraw/zinc/93/35/84/343933584.db2.gz ZNNLHAIXIRKISG-IUCAKERBSA-N 1 2 156.273 1.631 10 0 ADAELO CC1CCC(C[NH2+]N(C)C)CC1 134085998 343933598 /nfs/dbraw/zinc/93/35/98/343933598.db2.gz ONFVPHMREBVAOK-UHFFFAOYSA-N 1 2 170.300 1.879 10 0 ADAELO CCc1[nH+]c(CO)c2n1CC[C@@H](C)C2 134097924 343933619 /nfs/dbraw/zinc/93/36/19/343933619.db2.gz WQQPGNXPPUETGQ-MRVPVSSYSA-N 1 2 194.278 1.520 10 0 ADAELO CCc1[nH+]c(CO)c2n1CCC[C@H]2C 134098319 343933662 /nfs/dbraw/zinc/93/36/62/343933662.db2.gz DEEGLVLPJDNIEN-MRVPVSSYSA-N 1 2 194.278 1.835 10 0 ADAELO CC[C@]1(C)C[C@@H]([NH2+]N(C)C)CCO1 134084146 343933666 /nfs/dbraw/zinc/93/36/66/343933666.db2.gz DDPAVHXYUVXYGF-VHSXEESVSA-N 1 2 186.299 1.400 10 0 ADAELO CC[C@]1(C)C[C@H]([NH2+]N(C)C)CCO1 134083753 343933694 /nfs/dbraw/zinc/93/36/94/343933694.db2.gz DDPAVHXYUVXYGF-NXEZZACHSA-N 1 2 186.299 1.400 10 0 ADAELO C[C@@H]([NH2+]C1COC1)c1ccc(F)cn1 134102731 343933810 /nfs/dbraw/zinc/93/38/10/343933810.db2.gz HFSWOPWIVVZVLA-SSDOTTSWSA-N 1 2 196.225 1.270 10 0 ADAELO C[C@@H]1CC[C@@H]([NH2+]N(C)C)[C@H](C)C1 134118856 343933882 /nfs/dbraw/zinc/93/38/82/343933882.db2.gz DCRMJHWTFPFDRU-OPRDCNLKSA-N 1 2 170.300 1.877 10 0 ADAELO C[C@H]([NH2+]C1COC1)c1ccc(F)cn1 134102520 343934123 /nfs/dbraw/zinc/93/41/23/343934123.db2.gz HFSWOPWIVVZVLA-ZETCQYMHSA-N 1 2 196.225 1.270 10 0 ADAELO C[C@@H]1CC[C@H]([NH2+]N(C)C)[C@H](C)C1 134118451 343934221 /nfs/dbraw/zinc/93/42/21/343934221.db2.gz DCRMJHWTFPFDRU-BBBLOLIVSA-N 1 2 170.300 1.877 10 0 ADAELO CCCC[N@@H+]1CCCC(=O)C1 134145631 343934472 /nfs/dbraw/zinc/93/44/72/343934472.db2.gz WAFWCNFRHDIBBT-UHFFFAOYSA-N 1 2 155.241 1.451 10 0 ADAELO CCCC[N@H+]1CCCC(=O)C1 134145631 343934475 /nfs/dbraw/zinc/93/44/75/343934475.db2.gz WAFWCNFRHDIBBT-UHFFFAOYSA-N 1 2 155.241 1.451 10 0 ADAELO CN(C)[NH2+]CCC(C)(C)C 134147731 343935015 /nfs/dbraw/zinc/93/50/15/343935015.db2.gz YCKSFBGNFCNKIZ-UHFFFAOYSA-N 1 2 144.262 1.489 10 0 ADAELO CC(C)=CC[N@H+]1CCCC(=O)C1 134149378 343935061 /nfs/dbraw/zinc/93/50/61/343935061.db2.gz HNWKUMNXSQCJLD-UHFFFAOYSA-N 1 2 167.252 1.618 10 0 ADAELO O=C1CCC[N@H+](C[C@H]2CCCCO2)C1 134157890 343935090 /nfs/dbraw/zinc/93/50/90/343935090.db2.gz YPIBKVUCWZTECL-LLVKDONJSA-N 1 2 197.278 1.220 10 0 ADAELO O=C1CCC[N@@H+](C[C@H]2CCCCO2)C1 134157890 343935092 /nfs/dbraw/zinc/93/50/92/343935092.db2.gz YPIBKVUCWZTECL-LLVKDONJSA-N 1 2 197.278 1.220 10 0 ADAELO CO[C@@H](C)[C@H](C)Nc1cccc[nH+]1 134148577 343935202 /nfs/dbraw/zinc/93/52/02/343935202.db2.gz KLNRCMGSDANKBG-IUCAKERBSA-N 1 2 180.251 1.917 10 0 ADAELO O=C1CCC[N@H+](C[C@@H]2CCCCO2)C1 134157686 343935216 /nfs/dbraw/zinc/93/52/16/343935216.db2.gz YPIBKVUCWZTECL-NSHDSACASA-N 1 2 197.278 1.220 10 0 ADAELO O=C1CCC[N@@H+](C[C@@H]2CCCCO2)C1 134157686 343935218 /nfs/dbraw/zinc/93/52/18/343935218.db2.gz YPIBKVUCWZTECL-NSHDSACASA-N 1 2 197.278 1.220 10 0 ADAELO CCCc1[nH+]c(CO)c2n1CCCC2 134159409 343935221 /nfs/dbraw/zinc/93/52/21/343935221.db2.gz LZNZKWDUNYWYOY-UHFFFAOYSA-N 1 2 194.278 1.664 10 0 ADAELO CO[C@H](C)[C@H](C)Nc1cccc[nH+]1 134148163 343935262 /nfs/dbraw/zinc/93/52/62/343935262.db2.gz KLNRCMGSDANKBG-DTWKUNHWSA-N 1 2 180.251 1.917 10 0 ADAELO CO[C@H]1CCCC[C@H]1[NH2+]N(C)C 134166631 343935420 /nfs/dbraw/zinc/93/54/20/343935420.db2.gz KFIRCDNQFJSRHM-BDAKNGLRSA-N 1 2 172.272 1.010 10 0 ADAELO CN(C)[NH2+][C@@H]1C[C@@H]2CC=C[C@@H]21 134176177 343935428 /nfs/dbraw/zinc/93/54/28/343935428.db2.gz DSMDXYNKEDTWGE-XHNCKOQMSA-N 1 2 152.241 1.017 10 0 ADAELO CN(C)[NH2+][C@@H]1C[C@H]2CC=C[C@@H]21 134175796 343935642 /nfs/dbraw/zinc/93/56/42/343935642.db2.gz DSMDXYNKEDTWGE-HRDYMLBCSA-N 1 2 152.241 1.017 10 0 ADAELO CO[C@@H]1CCCC[C@@H]1[NH2+]N(C)C 134167206 343935645 /nfs/dbraw/zinc/93/56/45/343935645.db2.gz KFIRCDNQFJSRHM-DTWKUNHWSA-N 1 2 172.272 1.010 10 0 ADAELO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]N(C)C)C1 134187407 343935925 /nfs/dbraw/zinc/93/59/25/343935925.db2.gz UHPRQUYWXHQDNL-OPRDCNLKSA-N 1 2 170.300 1.877 10 0 ADAELO C[C@H]1CC([NH2+]N(C)C)C[C@H](C)C1 134181050 343936063 /nfs/dbraw/zinc/93/60/63/343936063.db2.gz GTLKARFYWLGEBI-RKDXNWHRSA-N 1 2 170.300 1.877 10 0 ADAELO C[C@H]1CC[C@@H](C)C[C@H]1[NH2+]N(C)C 134187029 343936165 /nfs/dbraw/zinc/93/61/65/343936165.db2.gz UHPRQUYWXHQDNL-KXUCPTDWSA-N 1 2 170.300 1.877 10 0 ADAELO C/C=C/C[N@@H+]1CCCC(=O)C1 134200194 343936452 /nfs/dbraw/zinc/93/64/52/343936452.db2.gz IKULUOHHXNBHLL-NSCUHMNNSA-N 1 2 153.225 1.227 10 0 ADAELO C/C=C/C[N@H+]1CCCC(=O)C1 134200194 343936454 /nfs/dbraw/zinc/93/64/54/343936454.db2.gz IKULUOHHXNBHLL-NSCUHMNNSA-N 1 2 153.225 1.227 10 0 ADAELO CN(C)[NH2+]C1CC(c2ccccc2)C1 134209471 343936487 /nfs/dbraw/zinc/93/64/87/343936487.db2.gz ONPMNMDLPAYKNW-UHFFFAOYSA-N 1 2 190.290 1.999 10 0 ADAELO CC[C@@H](C)[C@H](C)[NH2+]N(C)C 134211208 343936789 /nfs/dbraw/zinc/93/67/89/343936789.db2.gz UMIMDNPRPLAEAO-SFYZADRCSA-N 1 2 144.262 1.487 10 0 ADAELO CC[C@H]1CC(=O)Nc2ccc[nH+]c2N1 134214981 343936866 /nfs/dbraw/zinc/93/68/66/343936866.db2.gz RJDZBOWXRFLADD-ZETCQYMHSA-N 1 2 191.234 1.614 10 0 ADAELO O=C1CCC[N@H+](CC[C@@H]2CCCO2)C1 134211206 343936877 /nfs/dbraw/zinc/93/68/77/343936877.db2.gz PKDCQKZNUJRJGX-NSHDSACASA-N 1 2 197.278 1.220 10 0 ADAELO O=C1CCC[N@@H+](CC[C@@H]2CCCO2)C1 134211206 343936879 /nfs/dbraw/zinc/93/68/79/343936879.db2.gz PKDCQKZNUJRJGX-NSHDSACASA-N 1 2 197.278 1.220 10 0 ADAELO O=C1CCC[N@H+](CC[C@H]2CCCO2)C1 134211092 343936924 /nfs/dbraw/zinc/93/69/24/343936924.db2.gz PKDCQKZNUJRJGX-LLVKDONJSA-N 1 2 197.278 1.220 10 0 ADAELO O=C1CCC[N@@H+](CC[C@H]2CCCO2)C1 134211092 343936926 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2 188.181 1.195 10 0 ADAELO Cc1c(N)nc[nH+]c1NCC(F)F 148226689 344051347 /nfs/dbraw/zinc/05/13/47/344051347.db2.gz PDUUWMGOBZDLBI-UHFFFAOYSA-N 1 2 188.181 1.044 10 0 ADAELO Nc1cc(Cl)cnc1-n1cc[nH+]c1 148289975 344052816 /nfs/dbraw/zinc/05/28/16/344052816.db2.gz ZTLKGKJCHNMZGB-UHFFFAOYSA-N 1 2 194.625 1.503 10 0 ADAELO Cc1cc[nH+]cc1NC[C@H]1CCCO1 148706205 344057732 /nfs/dbraw/zinc/05/77/32/344057732.db2.gz MWNYEMXAHMCMAF-SNVBAGLBSA-N 1 2 192.262 1.981 10 0 ADAELO Cc1cc[nH+]cc1NC[C@@H]1CCCO1 148705977 344057940 /nfs/dbraw/zinc/05/79/40/344057940.db2.gz MWNYEMXAHMCMAF-JTQLQIEISA-N 1 2 192.262 1.981 10 0 ADAELO Cc1ccc(NC[C@H]2CCCO2)c[nH+]1 148829680 344059651 /nfs/dbraw/zinc/05/96/51/344059651.db2.gz QQOVMTVVGVBBSY-LLVKDONJSA-N 1 2 192.262 1.981 10 0 ADAELO C=Cc1[nH+]ccn1CCC 148896422 344060243 /nfs/dbraw/zinc/06/02/43/344060243.db2.gz BVBAEIPCBYXMBQ-UHFFFAOYSA-N 1 2 136.198 1.936 10 0 ADAELO Cc1ccc(NC[C@@H]2CCCO2)c[nH+]1 148829469 344059926 /nfs/dbraw/zinc/05/99/26/344059926.db2.gz QQOVMTVVGVBBSY-NSHDSACASA-N 1 2 192.262 1.981 10 0 ADAELO CN(C)Nc1[nH+]ccnc1Cl 149616287 344068720 /nfs/dbraw/zinc/06/87/20/344068720.db2.gz JWQWVDGCSGBHNT-UHFFFAOYSA-N 1 2 172.619 1.019 10 0 ADAELO CCOC(=[NH2+])[C@H]1CC[C@H](C)O1 149897165 344073098 /nfs/dbraw/zinc/07/30/98/344073098.db2.gz XMZZTJBVLSHMOS-NKWVEPMBSA-N 1 2 157.213 1.568 10 0 ADAELO CCOC(=[NH2+])[C@@H]1CC[C@H](C)O1 149896935 344073247 /nfs/dbraw/zinc/07/32/47/344073247.db2.gz XMZZTJBVLSHMOS-BQBZGAKWSA-N 1 2 157.213 1.568 10 0 ADAELO CCCNc1n[nH+]cc(Cl)c1N 149951838 344074386 /nfs/dbraw/zinc/07/43/86/344074386.db2.gz OPUUQCBRSLMDEQ-UHFFFAOYSA-N 1 2 186.646 1.534 10 0 ADAELO CCOc1cc[nH+]cc1O 150038269 344075407 /nfs/dbraw/zinc/07/54/07/344075407.db2.gz WVZACHVDOJKDAB-UHFFFAOYSA-N 1 2 139.154 1.186 10 0 ADAELO CCC(=O)c1ccc2[nH+]ccn2c1 150271311 344079099 /nfs/dbraw/zinc/07/90/99/344079099.db2.gz SFDJXLOPLYQADB-UHFFFAOYSA-N 1 2 174.203 1.927 10 0 ADAELO Cc1cc(N)cn2c(Cl)c[nH+]c12 156230936 344082323 /nfs/dbraw/zinc/08/23/23/344082323.db2.gz XVKINBLMPFXRML-UHFFFAOYSA-N 1 2 181.626 1.878 10 0 ADAELO CC[C@H](C)c1ncc[nH+]c1NN 156244323 344082411 /nfs/dbraw/zinc/08/24/11/344082411.db2.gz MPXZUMIAHXQJFD-LURJTMIESA-N 1 2 166.228 1.276 10 0 ADAELO CC[C@@H](C)c1ncc[nH+]c1NN 156244209 344082445 /nfs/dbraw/zinc/08/24/45/344082445.db2.gz MPXZUMIAHXQJFD-ZCFIWIBFSA-N 1 2 166.228 1.276 10 0 ADAELO CCCCc1ncc[nH+]c1NN 156243908 344082511 /nfs/dbraw/zinc/08/25/11/344082511.db2.gz DENJVCCQQFGAMV-UHFFFAOYSA-N 1 2 166.228 1.105 10 0 ADAELO CC(C)(C)c1ncc[nH+]c1NN 156244450 344082683 /nfs/dbraw/zinc/08/26/83/344082683.db2.gz WXTYGCLFRWDYEP-UHFFFAOYSA-N 1 2 166.228 1.060 10 0 ADAELO FC1(c2ccoc2)C[NH2+]C1 156383570 344084496 /nfs/dbraw/zinc/08/44/96/344084496.db2.gz LUVBMBXFMAKBBK-UHFFFAOYSA-N 1 2 141.145 1.048 10 0 ADAELO FC1(c2ccco2)C[NH2+]C1 156392928 344085145 /nfs/dbraw/zinc/08/51/45/344085145.db2.gz VNPHMQDFXXXUAF-UHFFFAOYSA-N 1 2 141.145 1.048 10 0 ADAELO C[C@]([NH3+])(c1ccc(F)cn1)C(F)F 156473039 344088623 /nfs/dbraw/zinc/08/86/23/344088623.db2.gz WRCUINMRQAJVRL-QMMMGPOBSA-N 1 2 190.168 1.660 10 0 ADAELO C[C@@]([NH3+])(c1ccc(F)cn1)C(F)F 156472924 344088993 /nfs/dbraw/zinc/08/89/93/344088993.db2.gz WRCUINMRQAJVRL-MRVPVSSYSA-N 1 2 190.168 1.660 10 0 ADAELO Nc1[nH]c(-c2ccc(F)cn2)c[nH+]1 156548872 344091010 /nfs/dbraw/zinc/09/10/10/344091010.db2.gz GCVBGXGXNRDXID-UHFFFAOYSA-N 1 2 178.170 1.193 10 0 ADAELO Cn1cc[nH+]c1-c1cncc(O)c1 156749746 344094781 /nfs/dbraw/zinc/09/47/81/344094781.db2.gz ZCTIDCGGYNYGJO-UHFFFAOYSA-N 1 2 175.191 1.188 10 0 ADAELO O[C@H](Cc1cccnc1)c1[nH]cc[nH+]1 157150890 344100916 /nfs/dbraw/zinc/10/09/16/344100916.db2.gz JCSMFRNFYOLHLZ-SECBINFHSA-N 1 2 189.218 1.081 10 0 ADAELO O[C@@H](Cc1cccnc1)c1[nH]cc[nH+]1 157150747 344100922 /nfs/dbraw/zinc/10/09/22/344100922.db2.gz JCSMFRNFYOLHLZ-VIFPVBQESA-N 1 2 189.218 1.081 10 0 ADAELO CN(C)Nc1[nH+]cc(F)cc1F 157254779 344102161 /nfs/dbraw/zinc/10/21/61/344102161.db2.gz SZOUCTGCQLRUTL-UHFFFAOYSA-N 1 2 173.166 1.248 10 0 ADAELO Nc1[nH+]cccc1-c1ccncc1F 157494673 344108075 /nfs/dbraw/zinc/10/80/75/344108075.db2.gz RQQNZEDXYSJQTO-UHFFFAOYSA-N 1 2 189.193 1.865 10 0 ADAELO Cc1cc(C(N)=S)cc(N(C)C)[nH+]1 157613828 344110750 /nfs/dbraw/zinc/11/07/50/344110750.db2.gz JYHPWCXZDHKLHO-UHFFFAOYSA-N 1 2 195.291 1.090 10 0 ADAELO CNc1cc(C(N)=S)cc(C)[nH+]1 157611262 344110894 /nfs/dbraw/zinc/11/08/94/344110894.db2.gz CGDRARNHGXRNBQ-UHFFFAOYSA-N 1 2 181.264 1.066 10 0 ADAELO CCC[C@@H](C)c1ncc[nH+]c1NN 157816249 344115400 /nfs/dbraw/zinc/11/54/00/344115400.db2.gz RVSSXBCMHYLNFJ-SSDOTTSWSA-N 1 2 180.255 1.666 10 0 ADAELO CC(C)(C)Cc1ncc[nH+]c1NN 157815777 344115473 /nfs/dbraw/zinc/11/54/73/344115473.db2.gz UAATZJVTZVZDTH-UHFFFAOYSA-N 1 2 180.255 1.351 10 0 ADAELO NNc1[nH+]ccnc1C1CCCCC1 157815636 344115706 /nfs/dbraw/zinc/11/57/06/344115706.db2.gz MEISTCWPNWNNJE-UHFFFAOYSA-N 1 2 192.266 1.810 10 0 ADAELO NNc1[nH+]ccnc1C1CCCC1 157816512 344115721 /nfs/dbraw/zinc/11/57/21/344115721.db2.gz SWFAVIFQZLIFBY-UHFFFAOYSA-N 1 2 178.239 1.420 10 0 ADAELO CCC[C@H](C)c1ncc[nH+]c1NN 157816384 344115754 /nfs/dbraw/zinc/11/57/54/344115754.db2.gz RVSSXBCMHYLNFJ-ZETCQYMHSA-N 1 2 180.255 1.666 10 0 ADAELO Fc1ccc(C2(F)C[NH2+]C2)c(F)c1 158114045 344119194 /nfs/dbraw/zinc/11/91/94/344119194.db2.gz HTPGLFRRYXDFTI-UHFFFAOYSA-N 1 2 187.164 1.733 10 0 ADAELO Fc1cccc(C2(F)C[NH2+]C2)c1F 158122537 344119238 /nfs/dbraw/zinc/11/92/38/344119238.db2.gz CXDFBLUOYVCMPQ-UHFFFAOYSA-N 1 2 187.164 1.733 10 0 ADAELO Fc1ccc(F)c(C2(F)C[NH2+]C2)c1 158126377 344119252 /nfs/dbraw/zinc/11/92/52/344119252.db2.gz RYWGFZVYZRSQJD-UHFFFAOYSA-N 1 2 187.164 1.733 10 0 ADAELO Fc1cccc(F)c1C1(F)C[NH2+]C1 158128373 344119272 /nfs/dbraw/zinc/11/92/72/344119272.db2.gz VLRJSRDVQDQJNF-UHFFFAOYSA-N 1 2 187.164 1.733 10 0 ADAELO COc1cccc(C2(F)C[NH2+]C2)c1F 158117986 344119281 /nfs/dbraw/zinc/11/92/81/344119281.db2.gz NSLTZIHHXITWMC-UHFFFAOYSA-N 1 2 199.200 1.602 10 0 ADAELO CCCn1nccc1C1(F)C[NH2+]C1 158120516 344119555 /nfs/dbraw/zinc/11/95/55/344119555.db2.gz UWPXNYBJISBNIW-UHFFFAOYSA-N 1 2 183.230 1.061 10 0 ADAELO FC1([C@H]2NCc3ccccc32)C[NH2+]C1 158131678 344119825 /nfs/dbraw/zinc/11/98/25/344119825.db2.gz XUXAGIQEFVXRPY-JTQLQIEISA-N 1 2 192.237 1.142 10 0 ADAELO FC1([C@@H]2NCc3ccccc32)C[NH2+]C1 158131839 344120063 /nfs/dbraw/zinc/12/00/63/344120063.db2.gz XUXAGIQEFVXRPY-SNVBAGLBSA-N 1 2 192.237 1.142 10 0 ADAELO COC(=[NH2+])C1(OC)CCC1 158285822 344122984 /nfs/dbraw/zinc/12/29/84/344122984.db2.gz OPINYLPXYMEXPH-UHFFFAOYSA-N 1 2 143.186 1.179 10 0 ADAELO O[C@@H](Cn1cc[nH+]c1)C1CCCC1 158472309 344127572 /nfs/dbraw/zinc/12/75/72/344127572.db2.gz RZXOPPWDKWDQBQ-JTQLQIEISA-N 1 2 180.251 1.434 10 0 ADAELO Fc1cnc(NN2CCCCC2)[nH+]c1 158586254 344129099 /nfs/dbraw/zinc/12/90/99/344129099.db2.gz LVVWFBSLHXDANF-UHFFFAOYSA-N 1 2 196.229 1.429 10 0 ADAELO Nc1cc(CC(=O)C(F)F)cc[nH+]1 158644885 344130097 /nfs/dbraw/zinc/13/00/97/344130097.db2.gz ILYFNKNRTQHGLE-UHFFFAOYSA-N 1 2 186.161 1.041 10 0 ADAELO Cc1c[nH+]c(N)c(C(=O)C(F)F)c1 158657484 344130363 /nfs/dbraw/zinc/13/03/63/344130363.db2.gz CCZQEECTYRABTO-UHFFFAOYSA-N 1 2 186.161 1.420 10 0 ADAELO Cc1csc([C@@H]2[NH2+]CCS2)n1 159619761 344149377 /nfs/dbraw/zinc/14/93/77/344149377.db2.gz JKPFIGNCGYDWKO-ZCFIWIBFSA-N 1 2 186.305 1.787 10 0 ADAELO Cc1csc([C@H]2[NH2+]CCS2)n1 159619899 344149539 /nfs/dbraw/zinc/14/95/39/344149539.db2.gz JKPFIGNCGYDWKO-LURJTMIESA-N 1 2 186.305 1.787 10 0 ADAELO CCC1(O)C[NH+](Cc2cncs2)C1 159751627 344151733 /nfs/dbraw/zinc/15/17/33/344151733.db2.gz QDMDFIZEMSTRQG-UHFFFAOYSA-N 1 2 198.291 1.100 10 0 ADAELO Nc1cc(F)cc(Cn2cc[nH+]c2)c1 159846521 344153202 /nfs/dbraw/zinc/15/32/02/344153202.db2.gz LYBXBPOASHHOTE-UHFFFAOYSA-N 1 2 191.209 1.653 10 0 ADAELO [NH3+][C@@H](c1cccs1)c1cnns1 160091940 344158158 /nfs/dbraw/zinc/15/81/58/344158158.db2.gz SVJMLNSDPYKFHA-ZETCQYMHSA-N 1 2 197.288 1.648 10 0 ADAELO [NH3+][C@H](c1cccs1)c1cnns1 160092061 344158295 /nfs/dbraw/zinc/15/82/95/344158295.db2.gz SVJMLNSDPYKFHA-SSDOTTSWSA-N 1 2 197.288 1.648 10 0 ADAELO Cc1occc1-c1nccc(NN)[nH+]1 160433606 344165558 /nfs/dbraw/zinc/16/55/58/344165558.db2.gz NTQNCGBNTGPLQE-UHFFFAOYSA-N 1 2 190.206 1.331 10 0 ADAELO Nc1[nH+]c(CO)cc2ccccc12 160662811 344173445 /nfs/dbraw/zinc/17/34/45/344173445.db2.gz YPZWPJJWSUTSBQ-UHFFFAOYSA-N 1 2 174.203 1.309 10 0 ADAELO Cn1c[nH+]cc1[C@H](O)CC1CC1 161016141 344183321 /nfs/dbraw/zinc/18/33/21/344183321.db2.gz HBXKEJWNALHXMJ-SECBINFHSA-N 1 2 166.224 1.254 10 0 ADAELO Cc1nc(NC(C)(C)[C@@H](C)O)cc[nH+]1 161097595 344185068 /nfs/dbraw/zinc/18/50/68/344185068.db2.gz ZDVIKAMUCQRGHR-SSDOTTSWSA-N 1 2 195.266 1.356 10 0 ADAELO Cc1nc(NC(C)(C)[C@H](C)O)cc[nH+]1 161097710 344185260 /nfs/dbraw/zinc/18/52/60/344185260.db2.gz ZDVIKAMUCQRGHR-ZETCQYMHSA-N 1 2 195.266 1.356 10 0 ADAELO OCCCc1[nH]c2ccc(O)cc2[nH+]1 161181460 344186534 /nfs/dbraw/zinc/18/65/34/344186534.db2.gz BNVVPFZOULZBTQ-UHFFFAOYSA-N 1 2 192.218 1.193 10 0 ADAELO O=Cc1ccc(Cn2cc[nH+]c2)o1 161295654 344189064 /nfs/dbraw/zinc/18/90/64/344189064.db2.gz ZXHGTJUMUZAUSS-UHFFFAOYSA-N 1 2 176.175 1.337 10 0 ADAELO OCc1ccc(Cn2cc[nH+]c2)o1 161323953 344189362 /nfs/dbraw/zinc/18/93/62/344189362.db2.gz RCOODLZCEWTWTR-UHFFFAOYSA-N 1 2 178.191 1.017 10 0 ADAELO Cc1cc(N[C@H](C)[C@H](C)CO)nc[nH+]1 161361820 344189682 /nfs/dbraw/zinc/18/96/82/344189682.db2.gz DPWVGWJIYMYOBO-VXNVDRBHSA-N 1 2 195.266 1.214 10 0 ADAELO O[C@H](c1[nH]cc[nH+]1)C1CCC1 161339108 344189710 /nfs/dbraw/zinc/18/97/10/344189710.db2.gz FLHLHFFIRKRCBQ-ZETCQYMHSA-N 1 2 152.197 1.243 10 0 ADAELO Cc1cc(N[C@@H](C)[C@@H](C)CO)nc[nH+]1 161361434 344189936 /nfs/dbraw/zinc/18/99/36/344189936.db2.gz DPWVGWJIYMYOBO-CBAPKCEASA-N 1 2 195.266 1.214 10 0 ADAELO Cc1cc(N[C@H](C)[C@@H](C)CO)nc[nH+]1 161361563 344190005 /nfs/dbraw/zinc/19/00/05/344190005.db2.gz DPWVGWJIYMYOBO-IONNQARKSA-N 1 2 195.266 1.214 10 0 ADAELO Cc1cc(N[C@@H](C)[C@H](C)CO)nc[nH+]1 161361693 344190033 /nfs/dbraw/zinc/19/00/33/344190033.db2.gz DPWVGWJIYMYOBO-APPZFPTMSA-N 1 2 195.266 1.214 10 0 ADAELO [NH3+][C@@H](c1cncs1)c1nccs1 161499502 344192260 /nfs/dbraw/zinc/19/22/60/344192260.db2.gz KUAUHPXFWOVHEN-LURJTMIESA-N 1 2 197.288 1.648 10 0 ADAELO [NH3+]C(c1nccs1)c1nccs1 161499646 344192336 /nfs/dbraw/zinc/19/23/36/344192336.db2.gz HKUHGGRABDVPKF-UHFFFAOYSA-N 1 2 197.288 1.648 10 0 ADAELO [NH3+][C@H](c1cncs1)c1nccs1 161499392 344192458 /nfs/dbraw/zinc/19/24/58/344192458.db2.gz KUAUHPXFWOVHEN-ZCFIWIBFSA-N 1 2 197.288 1.648 10 0 ADAELO C[C@H]1C[NH2+][C@@H](c2nccs2)S1 161608664 344194888 /nfs/dbraw/zinc/19/48/88/344194888.db2.gz BPWHTIPQCBUZMJ-CAHLUQPWSA-N 1 2 186.305 1.867 10 0 ADAELO C[C@@H]1C[NH2+][C@H](c2nccs2)S1 161608307 344194920 /nfs/dbraw/zinc/19/49/20/344194920.db2.gz BPWHTIPQCBUZMJ-VDTYLAMSSA-N 1 2 186.305 1.867 10 0 ADAELO C[C@H]1C[NH2+][C@H](c2nccs2)S1 161608438 344194961 /nfs/dbraw/zinc/19/49/61/344194961.db2.gz BPWHTIPQCBUZMJ-FSPLSTOPSA-N 1 2 186.305 1.867 10 0 ADAELO C[C@@H]1CS[C@H](c2nccs2)[NH2+]1 161609302 344195057 /nfs/dbraw/zinc/19/50/57/344195057.db2.gz XOCPLLLNYICLHC-IYSWYEEDSA-N 1 2 186.305 1.867 10 0 ADAELO c1ncc([C@H]2[NH2+]CCCS2)s1 161610720 344195147 /nfs/dbraw/zinc/19/51/47/344195147.db2.gz RTJSCOOMMFVLCZ-ZETCQYMHSA-N 1 2 186.305 1.868 10 0 ADAELO C[C@@H]1C[NH2+][C@@H](c2nccs2)S1 161608554 344195233 /nfs/dbraw/zinc/19/52/33/344195233.db2.gz BPWHTIPQCBUZMJ-IYSWYEEDSA-N 1 2 186.305 1.867 10 0 ADAELO C[C@@H]1CS[C@@H](c2nccs2)[NH2+]1 161609539 344195253 /nfs/dbraw/zinc/19/52/53/344195253.db2.gz XOCPLLLNYICLHC-VDTYLAMSSA-N 1 2 186.305 1.867 10 0 ADAELO C[C@H]1CS[C@@H](c2nccs2)[NH2+]1 161609672 344195262 /nfs/dbraw/zinc/19/52/62/344195262.db2.gz XOCPLLLNYICLHC-FSPLSTOPSA-N 1 2 186.305 1.867 10 0 ADAELO c1ncc([C@@H]2[NH2+]CCCS2)s1 161610584 344195285 /nfs/dbraw/zinc/19/52/85/344195285.db2.gz RTJSCOOMMFVLCZ-SSDOTTSWSA-N 1 2 186.305 1.868 10 0 ADAELO C[C@H]1CS[C@H](c2nccs2)[NH2+]1 161609435 344195328 /nfs/dbraw/zinc/19/53/28/344195328.db2.gz XOCPLLLNYICLHC-CAHLUQPWSA-N 1 2 186.305 1.867 10 0 ADAELO COC(=[NH2+])c1ccc(C)nc1 162334338 344206189 /nfs/dbraw/zinc/20/61/89/344206189.db2.gz QWPFHJGGHPMDRZ-UHFFFAOYSA-N 1 2 150.181 1.362 10 0 ADAELO CCOC(=[NH2+])c1ccc(C)nc1 162334475 344206507 /nfs/dbraw/zinc/20/65/07/344206507.db2.gz HZERWMTYWRKZQK-UHFFFAOYSA-N 1 2 164.208 1.752 10 0 ADAELO C[C@@H](CO)Sc1ccc(N)[nH+]c1 162355615 344206905 /nfs/dbraw/zinc/20/69/05/344206905.db2.gz JRXTVCQANYHYMU-LURJTMIESA-N 1 2 184.264 1.137 10 0 ADAELO C[C@H](CO)Sc1ccc(N)[nH+]c1 162355761 344206917 /nfs/dbraw/zinc/20/69/17/344206917.db2.gz JRXTVCQANYHYMU-ZCFIWIBFSA-N 1 2 184.264 1.137 10 0 ADAELO Cn1c[nH+]cc1-c1cnc(N)s1 162388990 344207566 /nfs/dbraw/zinc/20/75/66/344207566.db2.gz PCICQNXOYAFRLQ-UHFFFAOYSA-N 1 2 180.236 1.126 10 0 ADAELO CCn1c[nH+]cc1-c1cnc(N)s1 162392030 344207578 /nfs/dbraw/zinc/20/75/78/344207578.db2.gz WNOZOXQAJGZKDZ-UHFFFAOYSA-N 1 2 194.263 1.609 10 0 ADAELO Cc1ccc([C@H]([NH3+])C(F)F)cn1 162411391 344207610 /nfs/dbraw/zinc/20/76/10/344207610.db2.gz QFJJEJMFQNMLEI-ZETCQYMHSA-N 1 2 172.178 1.655 10 0 ADAELO CNc1ncc(-c2c[nH+]cn2C)s1 162400726 344207620 /nfs/dbraw/zinc/20/76/20/344207620.db2.gz CZCKSZQUPGKRTH-UHFFFAOYSA-N 1 2 194.263 1.585 10 0 ADAELO Fc1cccc(NCc2c[nH+]c[nH]2)n1 162452317 344208521 /nfs/dbraw/zinc/20/85/21/344208521.db2.gz DEMASHAXVMSFGG-UHFFFAOYSA-N 1 2 192.197 1.556 10 0 ADAELO Fc1cccc(NCc2c[nH]c[nH+]2)n1 162452317 344208523 /nfs/dbraw/zinc/20/85/23/344208523.db2.gz DEMASHAXVMSFGG-UHFFFAOYSA-N 1 2 192.197 1.556 10 0 ADAELO COC(=[NH2+])c1cnccc1C 162434962 344208536 /nfs/dbraw/zinc/20/85/36/344208536.db2.gz RXWPGXRITWZPOG-UHFFFAOYSA-N 1 2 150.181 1.362 10 0 ADAELO Cc1ccc([C@@H]2C[C@H]2CO)c[nH+]1 162471873 344208941 /nfs/dbraw/zinc/20/89/41/344208941.db2.gz UPMJCMXWOMJOEH-UWVGGRQHSA-N 1 2 163.220 1.486 10 0 ADAELO Cc1ccc([C@H]2C[C@@H]2CO)c[nH+]1 162471747 344208953 /nfs/dbraw/zinc/20/89/53/344208953.db2.gz UPMJCMXWOMJOEH-NXEZZACHSA-N 1 2 163.220 1.486 10 0 ADAELO Cc1ccc([C@H]2C[C@H]2CO)c[nH+]1 162471994 344209017 /nfs/dbraw/zinc/20/90/17/344209017.db2.gz UPMJCMXWOMJOEH-VHSXEESVSA-N 1 2 163.220 1.486 10 0 ADAELO Cc1ccc([C@@H]2C[C@@H]2CO)c[nH+]1 162471613 344209150 /nfs/dbraw/zinc/20/91/50/344209150.db2.gz UPMJCMXWOMJOEH-ZJUUUORDSA-N 1 2 163.220 1.486 10 0 ADAELO Cn1c[nH+]cc1-c1ccc(N)nc1 162774351 344213448 /nfs/dbraw/zinc/21/34/48/344213448.db2.gz VRLDNDUQXQYPLZ-UHFFFAOYSA-N 1 2 174.207 1.064 10 0 ADAELO [NH3+][C@H](c1ccoc1)c1cnns1 162836276 344214417 /nfs/dbraw/zinc/21/44/17/344214417.db2.gz OZXSIPLRIQRGRZ-SSDOTTSWSA-N 1 2 181.220 1.179 10 0 ADAELO [NH3+][C@@H](c1ccoc1)c1cnns1 162836196 344214634 /nfs/dbraw/zinc/21/46/34/344214634.db2.gz OZXSIPLRIQRGRZ-ZETCQYMHSA-N 1 2 181.220 1.179 10 0 ADAELO Cc1nnsc1[C@H]([NH3+])c1ccoc1 162846169 344214719 /nfs/dbraw/zinc/21/47/19/344214719.db2.gz ZTPNVRJNPNVENO-SSDOTTSWSA-N 1 2 195.247 1.488 10 0 ADAELO [NH3+][C@@H](c1cnsn1)c1ccco1 162869288 344215053 /nfs/dbraw/zinc/21/50/53/344215053.db2.gz WRACPQYBBSIKPD-ZETCQYMHSA-N 1 2 181.220 1.179 10 0 ADAELO [NH3+][C@H](c1cnsn1)c1ccco1 162869191 344215075 /nfs/dbraw/zinc/21/50/75/344215075.db2.gz WRACPQYBBSIKPD-SSDOTTSWSA-N 1 2 181.220 1.179 10 0 ADAELO Cc1nnsc1[C@@H]([NH3+])c1ccoc1 162846266 344215263 /nfs/dbraw/zinc/21/52/63/344215263.db2.gz ZTPNVRJNPNVENO-ZETCQYMHSA-N 1 2 195.247 1.488 10 0 ADAELO [NH3+][C@H](c1csnn1)c1ccco1 162852278 344215289 /nfs/dbraw/zinc/21/52/89/344215289.db2.gz ABYPENHAQSIJAA-SSDOTTSWSA-N 1 2 181.220 1.179 10 0 ADAELO [NH3+][C@@H](c1csnn1)c1ccco1 162852399 344215296 /nfs/dbraw/zinc/21/52/96/344215296.db2.gz ABYPENHAQSIJAA-ZETCQYMHSA-N 1 2 181.220 1.179 10 0 ADAELO Cc1nnsc1[C@H]([NH3+])c1ccco1 162881553 344215475 /nfs/dbraw/zinc/21/54/75/344215475.db2.gz OLXVEHAMIZMIPH-SSDOTTSWSA-N 1 2 195.247 1.488 10 0 ADAELO C[NH2+][C@H](c1ccco1)c1cnns1 162883476 344215501 /nfs/dbraw/zinc/21/55/01/344215501.db2.gz GFIGFUUWGZGLGC-MRVPVSSYSA-N 1 2 195.247 1.440 10 0 ADAELO C[NH2+][C@@H](c1ccco1)c1cnns1 162883348 344215589 /nfs/dbraw/zinc/21/55/89/344215589.db2.gz GFIGFUUWGZGLGC-QMMMGPOBSA-N 1 2 195.247 1.440 10 0 ADAELO Cc1nnsc1[C@@H]([NH3+])c1ccco1 162881635 344215910 /nfs/dbraw/zinc/21/59/10/344215910.db2.gz OLXVEHAMIZMIPH-ZETCQYMHSA-N 1 2 195.247 1.488 10 0 ADAELO [NH3+][C@H](c1ccco1)c1cnns1 162872356 344215954 /nfs/dbraw/zinc/21/59/54/344215954.db2.gz DZMLMYLYOJZDAH-SSDOTTSWSA-N 1 2 181.220 1.179 10 0 ADAELO [NH3+][C@@H](c1ccco1)c1cnns1 162872245 344215960 /nfs/dbraw/zinc/21/59/60/344215960.db2.gz DZMLMYLYOJZDAH-ZETCQYMHSA-N 1 2 181.220 1.179 10 0 ADAELO C[C@H](CO)Sc1cc[nH+]c(N)c1 162924431 344216347 /nfs/dbraw/zinc/21/63/47/344216347.db2.gz ZDZWGDYQSJLHOR-ZCFIWIBFSA-N 1 2 184.264 1.137 10 0 ADAELO C[C@@H](CO)Sc1cc[nH+]c(N)c1 162924315 344216624 /nfs/dbraw/zinc/21/66/24/344216624.db2.gz ZDZWGDYQSJLHOR-LURJTMIESA-N 1 2 184.264 1.137 10 0 ADAELO C[C@@H]1[NH2+]CN([C@@H](C)C(C)(C)C)C1=O 162969024 344217042 /nfs/dbraw/zinc/21/70/42/344217042.db2.gz FCNDBHYNXPAJTN-YUMQZZPRSA-N 1 2 184.283 1.199 10 0 ADAELO C[C@H](N1C(=O)C[NH2+][C@H]1C)C(C)(C)C 162970337 344217236 /nfs/dbraw/zinc/21/72/36/344217236.db2.gz YVMYXSCCQLYSJJ-JGVFFNPUSA-N 1 2 184.283 1.199 10 0 ADAELO C[C@H]1[NH2+]CN([C@H](C)C(C)(C)C)C1=O 162969149 344217259 /nfs/dbraw/zinc/21/72/59/344217259.db2.gz FCNDBHYNXPAJTN-HTQZYQBOSA-N 1 2 184.283 1.199 10 0 ADAELO Cn1c[nH+]cc1COc1cccnc1 163012779 344218409 /nfs/dbraw/zinc/21/84/09/344218409.db2.gz RBJSQKTWAYFOSF-UHFFFAOYSA-N 1 2 189.218 1.394 10 0 ADAELO [NH3+][C@@H](c1ccsc1)c1cnns1 163450003 344223620 /nfs/dbraw/zinc/22/36/20/344223620.db2.gz YGAWEZQGFDZMPC-ZETCQYMHSA-N 1 2 197.288 1.648 10 0 ADAELO [NH3+][C@H](c1ccsc1)c1cnns1 163450120 344223637 /nfs/dbraw/zinc/22/36/37/344223637.db2.gz YGAWEZQGFDZMPC-SSDOTTSWSA-N 1 2 197.288 1.648 10 0 ADAELO C[C@H]1CC[NH2+][C@H](C(=O)OC(C)(C)C)C1 163555444 344225306 /nfs/dbraw/zinc/22/53/06/344225306.db2.gz OQUBIZHHSFEVDY-IUCAKERBSA-N 1 2 199.294 1.716 10 0 ADAELO C[C@@H]1CC[NH2+][C@H](C(=O)OC(C)(C)C)C1 163555330 344225349 /nfs/dbraw/zinc/22/53/49/344225349.db2.gz OQUBIZHHSFEVDY-BDAKNGLRSA-N 1 2 199.294 1.716 10 0 ADAELO COC[C@H](C)c1nc(N)c(C)c(C)[nH+]1 163738093 344228481 /nfs/dbraw/zinc/22/84/81/344228481.db2.gz CVPUHIMMIBPBHG-LURJTMIESA-N 1 2 195.266 1.426 10 0 ADAELO COC[C@@H](C)c1nc(N)cc(C)[nH+]1 163736411 344228553 /nfs/dbraw/zinc/22/85/53/344228553.db2.gz UFHUJTLIVVKCCB-ZCFIWIBFSA-N 1 2 181.239 1.117 10 0 ADAELO COC[C@@H](C)c1nc(N)c(C)c(C)[nH+]1 163738238 344228614 /nfs/dbraw/zinc/22/86/14/344228614.db2.gz CVPUHIMMIBPBHG-ZCFIWIBFSA-N 1 2 195.266 1.426 10 0 ADAELO CNc1cc(C)[nH+]c([C@@H](C)COC)n1 163733844 344228663 /nfs/dbraw/zinc/22/86/63/344228663.db2.gz HUJHGOGBBMARHS-ZETCQYMHSA-N 1 2 195.266 1.577 10 0 ADAELO CNc1cc(C)[nH+]c([C@H](C)COC)n1 163733932 344228672 /nfs/dbraw/zinc/22/86/72/344228672.db2.gz HUJHGOGBBMARHS-SSDOTTSWSA-N 1 2 195.266 1.577 10 0 ADAELO COC[C@H](C)c1nc(N)cc(C)[nH+]1 163736307 344228720 /nfs/dbraw/zinc/22/87/20/344228720.db2.gz UFHUJTLIVVKCCB-LURJTMIESA-N 1 2 181.239 1.117 10 0 ADAELO Cc1ccc(F)cc1C[NH+]1CC(O)C1 163921253 344233238 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Nc1ccc(N2CCCCO2)c[nH+]1 164156783 344238319 /nfs/dbraw/zinc/23/83/19/344238319.db2.gz APHJKSJQTVCYPV-UHFFFAOYSA-N 1 2 179.223 1.196 10 0 ADAELO COC1CCC([NH2+]N(C)C)CC1 164278319 344240554 /nfs/dbraw/zinc/24/05/54/344240554.db2.gz CSSWQAVBNJRPQU-UHFFFAOYSA-N 1 2 172.272 1.010 10 0 ADAELO COC1CCC([NH3+])(C(F)(F)F)CC1 164335994 344242476 /nfs/dbraw/zinc/24/24/76/344242476.db2.gz PVGHAXTTYWIQHD-UHFFFAOYSA-N 1 2 197.200 1.835 10 0 ADAELO Cc1ccc[nH+]c1CCCO 164545909 344245987 /nfs/dbraw/zinc/24/59/87/344245987.db2.gz YHLNYHLKXBCWIY-UHFFFAOYSA-N 1 2 151.209 1.315 10 0 ADAELO Cc1ccc(NCC(C)(C)CO)c[nH+]1 164578322 344246553 /nfs/dbraw/zinc/24/65/53/344246553.db2.gz QBZYQYXNCKBEKU-UHFFFAOYSA-N 1 2 194.278 1.820 10 0 ADAELO Cc1ccc(NC[C@H]2CCOC2)c[nH+]1 164654854 344248911 /nfs/dbraw/zinc/24/89/11/344248911.db2.gz HBULQGORTPGCMG-SNVBAGLBSA-N 1 2 192.262 1.838 10 0 ADAELO Cc1ccc(NC[C@@H]2CCOC2)c[nH+]1 164654739 344249294 /nfs/dbraw/zinc/24/92/94/344249294.db2.gz HBULQGORTPGCMG-JTQLQIEISA-N 1 2 192.262 1.838 10 0 ADAELO Cc1ccc(N[C@H](C)C(C)(C)O)c[nH+]1 164696459 344249991 /nfs/dbraw/zinc/24/99/91/344249991.db2.gz BNMPKTGVIIZHDQ-SECBINFHSA-N 1 2 194.278 1.961 10 0 ADAELO Cc1ccc(N[C@@H](C)C(C)(C)O)c[nH+]1 164696332 344250124 /nfs/dbraw/zinc/25/01/24/344250124.db2.gz BNMPKTGVIIZHDQ-VIFPVBQESA-N 1 2 194.278 1.961 10 0 ADAELO Cc1ccc(N[C@H]2CCCOC2)c[nH+]1 164732563 344250892 /nfs/dbraw/zinc/25/08/92/344250892.db2.gz ZTTNOUKRERMUAY-NSHDSACASA-N 1 2 192.262 1.981 10 0 ADAELO C[C@@H]1C[NH2+][C@@H](c2ccnn2C)SC1 164768023 344251721 /nfs/dbraw/zinc/25/17/21/344251721.db2.gz UGFJAUMKPKXGLA-VXNVDRBHSA-N 1 2 197.307 1.391 10 0 ADAELO C[C@H]1CCS[C@H](c2ccnn2C)[NH2+]1 164767444 344251735 /nfs/dbraw/zinc/25/17/35/344251735.db2.gz POTXEGFBHUIBQA-IONNQARKSA-N 1 2 197.307 1.534 10 0 ADAELO C[C@H]1C[NH2+][C@@H](c2ccnn2C)SC1 164768141 344251763 /nfs/dbraw/zinc/25/17/63/344251763.db2.gz UGFJAUMKPKXGLA-IONNQARKSA-N 1 2 197.307 1.391 10 0 ADAELO C[C@H]1CCS[C@@H](c2ccnn2C)[NH2+]1 164767665 344251791 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1.534 10 0 ADAELO C[C@@H]1CCS[C@H](c2ccnn2C)[NH2+]1 164767338 344251960 /nfs/dbraw/zinc/25/19/60/344251960.db2.gz POTXEGFBHUIBQA-VXNVDRBHSA-N 1 2 197.307 1.534 10 0 ADAELO C[C@@H]1CC[NH2+][C@@H](c2ccnn2C)S1 164768484 344251993 /nfs/dbraw/zinc/25/19/93/344251993.db2.gz QKJCVGSRUJLUIK-VXNVDRBHSA-N 1 2 197.307 1.534 10 0 ADAELO Cn1nccc1[C@H]1[NH2+]CCCS1 164767239 344252000 /nfs/dbraw/zinc/25/20/00/344252000.db2.gz JULIJJSZEBWEMS-QMMMGPOBSA-N 1 2 183.280 1.145 10 0 ADAELO Cc1ccncc1-c1[nH]cc[nH+]1 164905936 344254177 /nfs/dbraw/zinc/25/41/77/344254177.db2.gz FFXLEKLKDUVVHS-UHFFFAOYSA-N 1 2 159.192 1.780 10 0 ADAELO CCn1nccc1[C@@H]1[NH2+]CCCS1 164941339 344255084 /nfs/dbraw/zinc/25/50/84/344255084.db2.gz FXBVZNUNSKNTAW-SECBINFHSA-N 1 2 197.307 1.628 10 0 ADAELO CCn1nccc1[C@H]1[NH2+]CCCS1 164941462 344255206 /nfs/dbraw/zinc/25/52/06/344255206.db2.gz FXBVZNUNSKNTAW-VIFPVBQESA-N 1 2 197.307 1.628 10 0 ADAELO Cc1ccc(N2CC[C@H](CO)C2)c[nH+]1 164979840 344256037 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CC(C)(C)Nc1cccc(CO)[nH+]1 166283438 344277861 /nfs/dbraw/zinc/27/78/61/344277861.db2.gz KJWOWOXJVZGCGZ-UHFFFAOYSA-N 1 2 180.251 1.784 10 0 ADAELO CC(C)(C)Nc1cc(CO)cc[nH+]1 166284372 344277894 /nfs/dbraw/zinc/27/78/94/344277894.db2.gz XVHGTLYSNGHRRP-UHFFFAOYSA-N 1 2 180.251 1.784 10 0 ADAELO OCc1cc[nH+]c(NC2CC2)c1 166282365 344277898 /nfs/dbraw/zinc/27/78/98/344277898.db2.gz FPHOCRMBHXWCKI-UHFFFAOYSA-N 1 2 164.208 1.148 10 0 ADAELO OCc1cccc(NC2CC2)[nH+]1 166281340 344277906 /nfs/dbraw/zinc/27/79/06/344277906.db2.gz DTSOTIWEXUKEGA-UHFFFAOYSA-N 1 2 164.208 1.148 10 0 ADAELO CNc1cc(CO)c2ccccc2[nH+]1 166274432 344277947 /nfs/dbraw/zinc/27/79/47/344277947.db2.gz UWFFYNBZNRMKLP-UHFFFAOYSA-N 1 2 188.230 1.769 10 0 ADAELO C[C@H](CO)Nc1cccc2[nH+]ccn12 166407751 344280951 /nfs/dbraw/zinc/28/09/51/344280951.db2.gz UXWVNPGRSFFSSK-MRVPVSSYSA-N 1 2 191.234 1.127 10 0 ADAELO COCCNc1cccc2[nH+]ccn12 166402724 344280971 /nfs/dbraw/zinc/28/09/71/344280971.db2.gz JLAZDFPTSFXIOW-UHFFFAOYSA-N 1 2 191.234 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/nfs/dbraw/zinc/32/54/31/344325431.db2.gz AFWUEMPXWTXNNM-UHFFFAOYSA-N 1 2 133.154 1.283 10 0 ADAELO C[NH2+][C@@H](C1=CCCO1)c1cscn1 168242464 344326639 /nfs/dbraw/zinc/32/66/39/344326639.db2.gz JZWVKKFYXZLSNT-SECBINFHSA-N 1 2 196.275 1.708 10 0 ADAELO C[NH2+][C@H](C1=CCCO1)c1cscn1 168242356 344326660 /nfs/dbraw/zinc/32/66/60/344326660.db2.gz JZWVKKFYXZLSNT-VIFPVBQESA-N 1 2 196.275 1.708 10 0 ADAELO Cc1nnsc1[C@@H]([NH3+])C1=CCCO1 168384755 344329874 /nfs/dbraw/zinc/32/98/74/344329874.db2.gz PQCRSGKDUTXZLK-ZETCQYMHSA-N 1 2 197.263 1.151 10 0 ADAELO Cc1nnsc1[C@H]([NH3+])C1=CCCO1 168384656 344329941 /nfs/dbraw/zinc/32/99/41/344329941.db2.gz PQCRSGKDUTXZLK-SSDOTTSWSA-N 1 2 197.263 1.151 10 0 ADAELO C[NH2+][C@@H](C1=CCCO1)c1csnn1 168380397 344329957 /nfs/dbraw/zinc/32/99/57/344329957.db2.gz YHLUFRNDMGQNIX-MRVPVSSYSA-N 1 2 197.263 1.103 10 0 ADAELO C[NH2+][C@@H](C1=CCCO1)c1cnsn1 168419280 344330279 /nfs/dbraw/zinc/33/02/79/344330279.db2.gz JCMQKKDHKNXNDX-MRVPVSSYSA-N 1 2 197.263 1.103 10 0 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/nfs/dbraw/zinc/42/36/58/344423658.db2.gz ZUVWGRWANXPCLO-UHFFFAOYSA-N 1 2 152.197 1.156 10 0 ADAELO C[N@@H+]1CCCC[C@H]1C(F)F 219511696 344424469 /nfs/dbraw/zinc/42/44/69/344424469.db2.gz QMFVFCMPQTZTKF-LURJTMIESA-N 1 2 149.184 1.736 10 0 ADAELO C[N@H+]1CCCC[C@H]1C(F)F 219511696 344424472 /nfs/dbraw/zinc/42/44/72/344424472.db2.gz QMFVFCMPQTZTKF-LURJTMIESA-N 1 2 149.184 1.736 10 0 ADAELO CCCn1c[nH+]c(CCC(=O)OC)c1 219525657 344425136 /nfs/dbraw/zinc/42/51/36/344425136.db2.gz INEPILFTJQGLLN-UHFFFAOYSA-N 1 2 196.250 1.399 10 0 ADAELO Cc1c[nH+]c(C(C)(C)C)nc1N 219679442 344427081 /nfs/dbraw/zinc/42/70/81/344427081.db2.gz XRCWEDMATXVTCV-UHFFFAOYSA-N 1 2 165.240 1.665 10 0 ADAELO OCCc1ccc2c([nH+]1)CCCC2 219833218 344428327 /nfs/dbraw/zinc/42/83/27/344428327.db2.gz OWXAQVNYEPDEPM-UHFFFAOYSA-N 1 2 177.247 1.495 10 0 ADAELO Cc1cc(N)c[nH+]c1C1CC1 219990886 344429735 /nfs/dbraw/zinc/42/97/35/344429735.db2.gz BSSLNJYIXMSTHZ-UHFFFAOYSA-N 1 2 148.209 1.850 10 0 ADAELO CCn1c(C2CC2)[nH+]c(CO)c1C 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135.157 1.346 10 0 ADAELO Cc1[nH]c[nH+]c1-c1ccccc1N 222023048 344448527 /nfs/dbraw/zinc/44/85/27/344448527.db2.gz NERXPASIDXODBJ-UHFFFAOYSA-N 1 2 173.219 1.967 10 0 ADAELO c1ncc(-c2ccc3[nH+]ccn3c2)cn1 222184002 344449946 /nfs/dbraw/zinc/44/99/46/344449946.db2.gz BNUDUCDNTQMKBS-UHFFFAOYSA-N 1 2 196.213 1.791 10 0 ADAELO [NH3+]N1CCC2(CCCC2)C1 222246128 344450700 /nfs/dbraw/zinc/45/07/00/344450700.db2.gz XUQJRNOEUOAFOZ-UHFFFAOYSA-N 1 2 140.230 1.126 10 0 ADAELO NC(=[NH2+])c1ncc(Cl)s1 223114605 344456969 /nfs/dbraw/zinc/45/69/69/344456969.db2.gz CDCDNOAUIJUBSQ-UHFFFAOYSA-N 1 2 161.617 1.081 10 0 ADAELO CC[N@@H+]1CCOC[C@H]1c1cccnc1 223689063 344462092 /nfs/dbraw/zinc/46/20/92/344462092.db2.gz IXNKVIPTCZTPJY-NSHDSACASA-N 1 2 192.262 1.475 10 0 ADAELO CC[N@H+]1CCOC[C@H]1c1cccnc1 223689063 344462093 /nfs/dbraw/zinc/46/20/93/344462093.db2.gz IXNKVIPTCZTPJY-NSHDSACASA-N 1 2 192.262 1.475 10 0 ADAELO CC[N@@H+]1CCOC[C@@H]1c1cccnc1 223689008 344462127 /nfs/dbraw/zinc/46/21/27/344462127.db2.gz 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/nfs/dbraw/zinc/47/07/50/344470750.db2.gz CEUFBXYYEKCIMJ-BBBLOLIVSA-N 1 2 197.278 1.217 10 0 ADAELO CO[C@H](C)CNc1c[nH+]cc(N)c1 224734471 344472959 /nfs/dbraw/zinc/47/29/59/344472959.db2.gz YYMGXKKLRHAOSI-SSDOTTSWSA-N 1 2 181.239 1.111 10 0 ADAELO CO[C@@H](C)CNc1c[nH+]cc(N)c1 224734427 344473158 /nfs/dbraw/zinc/47/31/58/344473158.db2.gz YYMGXKKLRHAOSI-ZETCQYMHSA-N 1 2 181.239 1.111 10 0 ADAELO CC[C@H](C)N1C(=O)[C@H](C(C)C)[NH2+][C@@H]1C 225022899 344475509 /nfs/dbraw/zinc/47/55/09/344475509.db2.gz UZWCMLUOSOWPHW-GUBZILKMSA-N 1 2 198.310 1.587 10 0 ADAELO CC[C@@H]1[NH2+][C@H](C)N([C@H](C)CC)C1=O 225023923 344475566 /nfs/dbraw/zinc/47/55/66/344475566.db2.gz XUZMHAOGVQLHCW-VGMNWLOBSA-N 1 2 184.283 1.341 10 0 ADAELO CCC[C@H](C)N1C(=O)[C@H](C)[NH2+][C@@H]1C 225016820 344475682 /nfs/dbraw/zinc/47/56/82/344475682.db2.gz YMUSNFQPQWALSG-CIUDSAMLSA-N 1 2 184.283 1.341 10 0 ADAELO CC[C@H](C)N1C(=O)[C@@](C)(CC)[NH2+][C@@H]1C 225025589 344475708 /nfs/dbraw/zinc/47/57/08/344475708.db2.gz 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226469850 344504170 /nfs/dbraw/zinc/50/41/70/344504170.db2.gz NXGGWJUDLRWIRY-MRVPVSSYSA-N 1 2 198.291 1.366 10 0 ADAELO CCc1cnc([C@@H]2COCC[NH2+]2)s1 226469844 344504310 /nfs/dbraw/zinc/50/43/10/344504310.db2.gz NXGGWJUDLRWIRY-QMMMGPOBSA-N 1 2 198.291 1.366 10 0 ADAELO C[C@@H](O)C1CC[NH+](CC(F)F)CC1 226562321 344506348 /nfs/dbraw/zinc/50/63/48/344506348.db2.gz JFTRPPWVXYOKQO-SSDOTTSWSA-N 1 2 193.237 1.344 10 0 ADAELO Nc1cnc(NCc2[nH]cc[nH+]2)s1 226744808 344511788 /nfs/dbraw/zinc/51/17/88/344511788.db2.gz RTCJNPCPTZSUMT-UHFFFAOYSA-N 1 2 195.251 1.061 10 0 ADAELO Nc1cnc(NCc2c[nH+]c[nH]2)s1 226746130 344511937 /nfs/dbraw/zinc/51/19/37/344511937.db2.gz CKMBWAMAILBNPQ-UHFFFAOYSA-N 1 2 195.251 1.061 10 0 ADAELO Nc1cnc(NCc2c[nH]c[nH+]2)s1 226746130 344511939 /nfs/dbraw/zinc/51/19/39/344511939.db2.gz CKMBWAMAILBNPQ-UHFFFAOYSA-N 1 2 195.251 1.061 10 0 ADAELO Cc1[nH+]cn(-c2ncc(N)s2)c1C 226754411 344512801 /nfs/dbraw/zinc/51/28/01/344512801.db2.gz CABGPIVCJYEGFR-UHFFFAOYSA-N 1 2 194.263 1.528 10 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1.450 10 0 ADAELO Cc1c[nH+]c(N)c(-c2ccc[nH]2)c1 306300834 345181142 /nfs/dbraw/zinc/18/11/42/345181142.db2.gz KMNDVYVRRNZQIP-UHFFFAOYSA-N 1 2 173.219 1.967 10 0 ADAELO Clc1nccc(Cn2cc[nH+]c2)n1 306304814 345184682 /nfs/dbraw/zinc/18/46/82/345184682.db2.gz CLUQPFRYGQOEQK-UHFFFAOYSA-N 1 2 194.625 1.375 10 0 ADAELO C(=C/c1[nH]cc[nH+]1)\c1ccnnc1 306305087 345184760 /nfs/dbraw/zinc/18/47/60/345184760.db2.gz DKKAECRQYSSSGM-OWOJBTEDSA-N 1 2 172.191 1.370 10 0 ADAELO CNc1ccc(N2CC=CC2)c[nH+]1 306305084 345184851 /nfs/dbraw/zinc/18/48/51/345184851.db2.gz IMOBVTMESSFWPN-UHFFFAOYSA-N 1 2 175.235 1.500 10 0 ADAELO CC1(C)CC[C@H]1[NH2+]N1CCOCC1 306306420 345186242 /nfs/dbraw/zinc/18/62/42/345186242.db2.gz FCTBGKMVSXLDBT-SECBINFHSA-N 1 2 184.283 1.012 10 0 ADAELO Cc1nc(NC2C[NH+](C)C2)sc1C 306307159 345186652 /nfs/dbraw/zinc/18/66/52/345186652.db2.gz JVHPWLYQKCASCD-UHFFFAOYSA-N 1 2 197.307 1.486 10 0 ADAELO Cc1cnn(C)c1[C@H]([NH3+])C(C)(F)F 306307762 345187079 /nfs/dbraw/zinc/18/70/79/345187079.db2.gz OKDNMIKDGZQOOJ-ZETCQYMHSA-N 1 2 189.209 1.384 10 0 ADAELO Cc1cnn(C)c1[C@@H]([NH3+])C(C)(F)F 306307760 345187093 /nfs/dbraw/zinc/18/70/93/345187093.db2.gz OKDNMIKDGZQOOJ-SSDOTTSWSA-N 1 2 189.209 1.384 10 0 ADAELO Clc1ccnc(C[NH+]2CCC2)c1 306310055 345189512 /nfs/dbraw/zinc/18/95/12/345189512.db2.gz VCNGKJDKEFTMBE-UHFFFAOYSA-N 1 2 182.654 1.941 10 0 ADAELO Cc1cc(NC(C)(C)CF)nc[nH+]1 306310822 345190181 /nfs/dbraw/zinc/19/01/81/345190181.db2.gz MODDCXLTOXYOLA-UHFFFAOYSA-N 1 2 183.230 1.945 10 0 ADAELO Cc1nc(N[C@@H]2C[C@H]2C2CC2)cc[nH+]1 306311677 345190718 /nfs/dbraw/zinc/19/07/18/345190718.db2.gz VKVZPIRXJFVKSB-VHSXEESVSA-N 1 2 189.262 1.995 10 0 ADAELO C[C@@H]1CC([NH+]2CC(F)C2)C[C@@H](C)O1 306311899 345190793 /nfs/dbraw/zinc/19/07/93/345190793.db2.gz KGPLSURBBILYJG-HTQZYQBOSA-N 1 2 187.258 1.596 10 0 ADAELO C[C@H]1C[C@H]([NH+]2CC(F)C2)C[C@@H](C)O1 306311895 345190864 /nfs/dbraw/zinc/19/08/64/345190864.db2.gz KGPLSURBBILYJG-DIYOJNKTSA-N 1 2 187.258 1.596 10 0 ADAELO C[C@H]1CC([NH+]2CC(F)C2)C[C@H](C)O1 306311903 345190979 /nfs/dbraw/zinc/19/09/79/345190979.db2.gz KGPLSURBBILYJG-YUMQZZPRSA-N 1 2 187.258 1.596 10 0 ADAELO Cc1ccc(CNc2c[nH]c[nH+]2)o1 306312798 345191762 /nfs/dbraw/zinc/19/17/62/345191762.db2.gz NYDYVPVPHPXSFC-UHFFFAOYSA-N 1 2 177.207 1.923 10 0 ADAELO CC(C)(O)CCNc1c[nH+]cc(N)c1 306313210 345192173 /nfs/dbraw/zinc/19/21/73/345192173.db2.gz LVLIGJMZFCJJCJ-UHFFFAOYSA-N 1 2 195.266 1.237 10 0 ADAELO CC[C@@H](C)[C@]1(C)[NH2+]CC(=O)N1C1CC1 306313964 345193102 /nfs/dbraw/zinc/19/31/02/345193102.db2.gz PDRSJCSMDRILGT-LDYMZIIASA-N 1 2 196.294 1.343 10 0 ADAELO CC[C@H](C)[C@]1(C)[NH2+]CC(=O)N1C1CC1 306313961 345192830 /nfs/dbraw/zinc/19/28/30/345192830.db2.gz PDRSJCSMDRILGT-GZMMTYOYSA-N 1 2 196.294 1.343 10 0 ADAELO CC[C@@H](C)[C@@]1(C)[NH2+]CC(=O)N1C1CC1 306313962 345193088 /nfs/dbraw/zinc/19/30/88/345193088.db2.gz PDRSJCSMDRILGT-KCJUWKMLSA-N 1 2 196.294 1.343 10 0 ADAELO CC[C@H](C)[C@@]1(C)[NH2+]CC(=O)N1C1CC1 306313963 345193151 /nfs/dbraw/zinc/19/31/51/345193151.db2.gz PDRSJCSMDRILGT-KWQFWETISA-N 1 2 196.294 1.343 10 0 ADAELO CCOc1cc[nH+]cc1C1(O)CCC1 306317656 345195981 /nfs/dbraw/zinc/19/59/81/345195981.db2.gz SQKOHZMNUJBPIF-UHFFFAOYSA-N 1 2 193.246 1.852 10 0 ADAELO Cc1cnc(NN)[nH+]c1C1CCC1 306318608 345197103 /nfs/dbraw/zinc/19/71/03/345197103.db2.gz IPXZRHRNIJAYGK-UHFFFAOYSA-N 1 2 178.239 1.338 10 0 ADAELO CC1C[NH+](Cc2c(Cl)cnn2C)C1 306324030 345201528 /nfs/dbraw/zinc/20/15/28/345201528.db2.gz KQCMWBQVASFLJP-UHFFFAOYSA-N 1 2 199.685 1.525 10 0 ADAELO CCn1c[nH+]c([C@H]2CCCC2=O)c1 306325449 345202493 /nfs/dbraw/zinc/20/24/93/345202493.db2.gz LJJJLLGFAYVJBF-MRVPVSSYSA-N 1 2 178.235 1.740 10 0 ADAELO CCn1c[nH+]c([C@@H]2CCCC2=O)c1 306325455 345202506 /nfs/dbraw/zinc/20/25/06/345202506.db2.gz LJJJLLGFAYVJBF-QMMMGPOBSA-N 1 2 178.235 1.740 10 0 ADAELO Cc1noc([C@H](C)[NH2+]C2CSC2)n1 306326048 345203366 /nfs/dbraw/zinc/20/33/66/345203366.db2.gz WVAZJRKZZXDKFT-YFKPBYRVSA-N 1 2 199.279 1.144 10 0 ADAELO Cc1noc([C@@H](C)[NH2+]C2CSC2)n1 306326046 345203602 /nfs/dbraw/zinc/20/36/02/345203602.db2.gz WVAZJRKZZXDKFT-RXMQYKEDSA-N 1 2 199.279 1.144 10 0 ADAELO Cc1[nH]c(C[N@H+]2CC=CCC2)c[nH+]1 306326978 345204299 /nfs/dbraw/zinc/20/42/99/345204299.db2.gz MNIQBSNBYREDKF-UHFFFAOYSA-N 1 2 177.251 1.480 10 0 ADAELO Cc1[nH]c(C[N@@H+]2CC=CCC2)c[nH+]1 306326978 345204302 /nfs/dbraw/zinc/20/43/02/345204302.db2.gz MNIQBSNBYREDKF-UHFFFAOYSA-N 1 2 177.251 1.480 10 0 ADAELO Cc1ncc(C[N@@H+]2CC=CCC2)[nH]1 306326978 345204309 /nfs/dbraw/zinc/20/43/09/345204309.db2.gz MNIQBSNBYREDKF-UHFFFAOYSA-N 1 2 177.251 1.480 10 0 ADAELO [NH3+][C@@H](c1cscn1)c1cnsn1 306329415 345206758 /nfs/dbraw/zinc/20/67/58/345206758.db2.gz ZMRTWYSDFGKDEO-ZCFIWIBFSA-N 1 2 198.276 1.043 10 0 ADAELO [NH3+][C@H](c1cscn1)c1cnsn1 306329414 345206834 /nfs/dbraw/zinc/20/68/34/345206834.db2.gz ZMRTWYSDFGKDEO-LURJTMIESA-N 1 2 198.276 1.043 10 0 ADAELO CC1(C)NC(=O)C2(CCCCC2)[NH2+]1 306331303 345208024 /nfs/dbraw/zinc/20/80/24/345208024.db2.gz QMPMNNJVVVVERW-UHFFFAOYSA-N 1 2 182.267 1.145 10 0 ADAELO Clc1cnc(C[NH+]2CCC2)cn1 306332460 345209486 /nfs/dbraw/zinc/20/94/86/345209486.db2.gz GYYNEHRJNYJIBJ-UHFFFAOYSA-N 1 2 183.642 1.336 10 0 ADAELO Fc1cc[nH+]c(N2CCOCC2)c1 306334132 345210602 /nfs/dbraw/zinc/21/06/02/345210602.db2.gz FKJDJWVNCVBOTD-UHFFFAOYSA-N 1 2 182.198 1.057 10 0 ADAELO Cc1cc(N[C@H]2CCC[C@H]2O)nc[nH+]1 306334679 345211112 /nfs/dbraw/zinc/21/11/12/345211112.db2.gz IZQMHJSZMLDIAG-DTWKUNHWSA-N 1 2 193.250 1.110 10 0 ADAELO Cc1cc(N[C@@H]2CCC[C@@H]2O)nc[nH+]1 306334677 345211297 /nfs/dbraw/zinc/21/12/97/345211297.db2.gz IZQMHJSZMLDIAG-BDAKNGLRSA-N 1 2 193.250 1.110 10 0 ADAELO C[C@H]1CCCC[N@@H+]1Cc1cnn[nH]1 306337269 345213176 /nfs/dbraw/zinc/21/31/76/345213176.db2.gz HISUKGDVBUARMN-QMMMGPOBSA-N 1 2 180.255 1.179 10 0 ADAELO C[C@H]1CCCC[N@H+]1Cc1cnn[nH]1 306337269 345213178 /nfs/dbraw/zinc/21/31/78/345213178.db2.gz HISUKGDVBUARMN-QMMMGPOBSA-N 1 2 180.255 1.179 10 0 ADAELO C[C@H]1CCCC[N@@H+]1Cc1c[nH]nn1 306337269 345213180 /nfs/dbraw/zinc/21/31/80/345213180.db2.gz HISUKGDVBUARMN-QMMMGPOBSA-N 1 2 180.255 1.179 10 0 ADAELO C[C@H]1CCCC[N@H+]1Cc1c[nH]nn1 306337269 345213183 /nfs/dbraw/zinc/21/31/83/345213183.db2.gz HISUKGDVBUARMN-QMMMGPOBSA-N 1 2 180.255 1.179 10 0 ADAELO C[C@H]1CCCC[N@@H+]1Cc1cn[nH]n1 306337269 345213184 /nfs/dbraw/zinc/21/31/84/345213184.db2.gz HISUKGDVBUARMN-QMMMGPOBSA-N 1 2 180.255 1.179 10 0 ADAELO C[C@H]1CCCC[N@H+]1Cc1cn[nH]n1 306337269 345213187 /nfs/dbraw/zinc/21/31/87/345213187.db2.gz HISUKGDVBUARMN-QMMMGPOBSA-N 1 2 180.255 1.179 10 0 ADAELO C[C@@H]1CCCC[N@@H+]1Cc1cnn[nH]1 306337268 345213267 /nfs/dbraw/zinc/21/32/67/345213267.db2.gz HISUKGDVBUARMN-MRVPVSSYSA-N 1 2 180.255 1.179 10 0 ADAELO C[C@@H]1CCCC[N@H+]1Cc1cnn[nH]1 306337268 345213268 /nfs/dbraw/zinc/21/32/68/345213268.db2.gz HISUKGDVBUARMN-MRVPVSSYSA-N 1 2 180.255 1.179 10 0 ADAELO C[C@@H]1CCCC[N@@H+]1Cc1c[nH]nn1 306337268 345213270 /nfs/dbraw/zinc/21/32/70/345213270.db2.gz HISUKGDVBUARMN-MRVPVSSYSA-N 1 2 180.255 1.179 10 0 ADAELO C[C@@H]1CCCC[N@H+]1Cc1c[nH]nn1 306337268 345213272 /nfs/dbraw/zinc/21/32/72/345213272.db2.gz HISUKGDVBUARMN-MRVPVSSYSA-N 1 2 180.255 1.179 10 0 ADAELO C[C@@H]1CCCC[N@@H+]1Cc1cn[nH]n1 306337268 345213274 /nfs/dbraw/zinc/21/32/74/345213274.db2.gz HISUKGDVBUARMN-MRVPVSSYSA-N 1 2 180.255 1.179 10 0 ADAELO C[C@@H]1CCCC[N@H+]1Cc1cn[nH]n1 306337268 345213275 /nfs/dbraw/zinc/21/32/75/345213275.db2.gz HISUKGDVBUARMN-MRVPVSSYSA-N 1 2 180.255 1.179 10 0 ADAELO Cc1cnc(NN)[nH+]c1[C@H]1C[C@@H]1C 306341764 345215837 /nfs/dbraw/zinc/21/58/37/345215837.db2.gz DPERAUZXLYPXCQ-FSPLSTOPSA-N 1 2 178.239 1.194 10 0 ADAELO Cc1cnc(NN)[nH+]c1[C@H]1C[C@H]1C 306341766 345216137 /nfs/dbraw/zinc/21/61/37/345216137.db2.gz DPERAUZXLYPXCQ-VDTYLAMSSA-N 1 2 178.239 1.194 10 0 ADAELO Cc1cnc(NN)[nH+]c1[C@@H]1C[C@H]1C 306341765 345216181 /nfs/dbraw/zinc/21/61/81/345216181.db2.gz DPERAUZXLYPXCQ-IYSWYEEDSA-N 1 2 178.239 1.194 10 0 ADAELO Cc1cnc(NN)[nH+]c1[C@@H]1C[C@@H]1C 306341763 345216201 /nfs/dbraw/zinc/21/62/01/345216201.db2.gz DPERAUZXLYPXCQ-CAHLUQPWSA-N 1 2 178.239 1.194 10 0 ADAELO CC(C)[C@H](O)C[N@@H+]1CCC(F)(F)C1 306343287 345217078 /nfs/dbraw/zinc/21/70/78/345217078.db2.gz LGXPUIJVVNHSRN-MRVPVSSYSA-N 1 2 193.237 1.344 10 0 ADAELO CC(C)[C@H](O)C[N@H+]1CCC(F)(F)C1 306343287 345217080 /nfs/dbraw/zinc/21/70/80/345217080.db2.gz LGXPUIJVVNHSRN-MRVPVSSYSA-N 1 2 193.237 1.344 10 0 ADAELO CC(C)[C@@H](O)C[N@@H+]1CCC(F)(F)C1 306343288 345217208 /nfs/dbraw/zinc/21/72/08/345217208.db2.gz LGXPUIJVVNHSRN-QMMMGPOBSA-N 1 2 193.237 1.344 10 0 ADAELO CC(C)[C@@H](O)C[N@H+]1CCC(F)(F)C1 306343288 345217212 /nfs/dbraw/zinc/21/72/12/345217212.db2.gz LGXPUIJVVNHSRN-QMMMGPOBSA-N 1 2 193.237 1.344 10 0 ADAELO Cc1nnc(C[N@@H+]2[C@@H](C)C[C@H]2C)[nH]1 306343406 345217645 /nfs/dbraw/zinc/21/76/45/345217645.db2.gz CTEIOQDNABTATB-KNVOCYPGSA-N 1 2 180.255 1.096 10 0 ADAELO Cc1nnc(C[N@H+]2[C@@H](C)C[C@H]2C)[nH]1 306343406 345217647 /nfs/dbraw/zinc/21/76/47/345217647.db2.gz CTEIOQDNABTATB-KNVOCYPGSA-N 1 2 180.255 1.096 10 0 ADAELO Cc1nnc(C[NH+]2[C@@H](C)C[C@@H]2C)[nH]1 306343405 345217718 /nfs/dbraw/zinc/21/77/18/345217718.db2.gz CTEIOQDNABTATB-BQBZGAKWSA-N 1 2 180.255 1.096 10 0 ADAELO Cc1nnc(C[NH+]2[C@H](C)C[C@H]2C)[nH]1 306343407 345217926 /nfs/dbraw/zinc/21/79/26/345217926.db2.gz CTEIOQDNABTATB-RNFRBKRXSA-N 1 2 180.255 1.096 10 0 ADAELO CC(C)(F)C(=O)Nc1cc[nH+]cc1N 306345210 345219099 /nfs/dbraw/zinc/21/90/99/345219099.db2.gz OCEYKFXOWCTSLC-UHFFFAOYSA-N 1 2 197.213 1.350 10 0 ADAELO CCc1c(N2CCC2)nc[nH+]c1NC 306345283 345219545 /nfs/dbraw/zinc/21/95/45/345219545.db2.gz NYITYJYYDCWEKL-UHFFFAOYSA-N 1 2 192.266 1.291 10 0 ADAELO CCc1c(NC)nc[nH+]c1N1CCC1 306345283 345219547 /nfs/dbraw/zinc/21/95/47/345219547.db2.gz NYITYJYYDCWEKL-UHFFFAOYSA-N 1 2 192.266 1.291 10 0 ADAELO C[C@@H](O)c1ccc[nH+]c1N1CC=CC1 306345977 345220205 /nfs/dbraw/zinc/22/02/05/345220205.db2.gz PALBONHUMYPCPD-SECBINFHSA-N 1 2 190.246 1.511 10 0 ADAELO COc1c(N)nc(CC2CC2)[nH+]c1C 306347079 345221260 /nfs/dbraw/zinc/22/12/60/345221260.db2.gz QKIPAFIANASMSE-UHFFFAOYSA-N 1 2 193.250 1.328 10 0 ADAELO Cc1nc(NC(C)(C)C)cc[nH+]1 306347363 345221280 /nfs/dbraw/zinc/22/12/80/345221280.db2.gz CTDCGXKFCYBDDN-UHFFFAOYSA-N 1 2 165.240 1.995 10 0 ADAELO CCNC(=[NH2+])c1ccc(O)c(Cl)c1 306347209 345221339 /nfs/dbraw/zinc/22/13/39/345221339.db2.gz DCHMIFDZJIDGHF-UHFFFAOYSA-N 1 2 198.653 1.980 10 0 ADAELO C[C@@H]1CC[C@H]1Nc1c[nH+]cc(N)c1 306357029 345228066 /nfs/dbraw/zinc/22/80/66/345228066.db2.gz UPSIKNWJGGTURE-GMSGAONNSA-N 1 2 177.251 1.874 10 0 ADAELO C[C@@H]1CC[C@@H]1Nc1c[nH+]cc(N)c1 306357033 345228158 /nfs/dbraw/zinc/22/81/58/345228158.db2.gz UPSIKNWJGGTURE-XCBNKYQSSA-N 1 2 177.251 1.874 10 0 ADAELO C[C@H]1CC[C@H]1Nc1c[nH+]cc(N)c1 306357031 345228207 /nfs/dbraw/zinc/22/82/07/345228207.db2.gz UPSIKNWJGGTURE-OIBJUYFYSA-N 1 2 177.251 1.874 10 0 ADAELO CC1CC([NH+]2CC(F)C2)C1 306359889 345230648 /nfs/dbraw/zinc/23/06/48/345230648.db2.gz LOWOANMMAUGJLV-UHFFFAOYSA-N 1 2 143.205 1.439 10 0 ADAELO Clc1ccc(C[NH+]2CCC2)nc1 306364097 345234444 /nfs/dbraw/zinc/23/44/44/345234444.db2.gz AFUPTZGCWVGBMT-UHFFFAOYSA-N 1 2 182.654 1.941 10 0 ADAELO C[NH2+][C@@H](c1ccc[nH]1)C(F)F 306366161 345235527 /nfs/dbraw/zinc/23/55/27/345235527.db2.gz DDFSUMXDIMTNNS-LURJTMIESA-N 1 2 160.167 1.540 10 0 ADAELO C[NH2+][C@H](c1ccc[nH]1)C(F)F 306366163 345235863 /nfs/dbraw/zinc/23/58/63/345235863.db2.gz DDFSUMXDIMTNNS-ZCFIWIBFSA-N 1 2 160.167 1.540 10 0 ADAELO CN(C)c1ccc(C(C)(C)O)c[nH+]1 306371509 345239796 /nfs/dbraw/zinc/23/97/96/345239796.db2.gz OHBXLOXAYXUWCY-UHFFFAOYSA-N 1 2 180.251 1.375 10 0 ADAELO [NH3+][C@@H](c1csnn1)c1nccs1 306373020 345240755 /nfs/dbraw/zinc/24/07/55/345240755.db2.gz OZJAFBRLFJGJIP-YFKPBYRVSA-N 1 2 198.276 1.043 10 0 ADAELO [NH3+][C@H](c1csnn1)c1nccs1 306373019 345240868 /nfs/dbraw/zinc/24/08/68/345240868.db2.gz OZJAFBRLFJGJIP-RXMQYKEDSA-N 1 2 198.276 1.043 10 0 ADAELO C[C@H]1C[C@@H](O)CC[N@@H+]1CC(F)F 306373269 345241053 /nfs/dbraw/zinc/24/10/53/345241053.db2.gz KCAZRUXATBOXMQ-BQBZGAKWSA-N 1 2 179.210 1.097 10 0 ADAELO C[C@H]1C[C@@H](O)CC[N@H+]1CC(F)F 306373269 345241057 /nfs/dbraw/zinc/24/10/57/345241057.db2.gz KCAZRUXATBOXMQ-BQBZGAKWSA-N 1 2 179.210 1.097 10 0 ADAELO c1[nH]cc(N[C@H]2CCCSC2)[nH+]1 306378540 345244747 /nfs/dbraw/zinc/24/47/47/345244747.db2.gz OHULEWOBTXHETK-ZETCQYMHSA-N 1 2 183.280 1.717 10 0 ADAELO c1[nH]cc(N[C@@H]2CCCSC2)[nH+]1 306378537 345244779 /nfs/dbraw/zinc/24/47/79/345244779.db2.gz OHULEWOBTXHETK-SSDOTTSWSA-N 1 2 183.280 1.717 10 0 ADAELO c1csc(CNc2c[nH]c[nH+]2)n1 306380163 345246202 /nfs/dbraw/zinc/24/62/02/345246202.db2.gz ADLGTPSXHRJWAK-UHFFFAOYSA-N 1 2 180.236 1.478 10 0 ADAELO Clc1ccc(C[NH+]2CCC2)nn1 306381285 345247378 /nfs/dbraw/zinc/24/73/78/345247378.db2.gz WHKQOBOZOCNLPD-UHFFFAOYSA-N 1 2 183.642 1.336 10 0 ADAELO c1c[nH]c(CNc2c[nH]c[nH+]2)c1 306382301 345247925 /nfs/dbraw/zinc/24/79/25/345247925.db2.gz AUBSIVGAHLWNCD-UHFFFAOYSA-N 1 2 162.196 1.350 10 0 ADAELO CCO[NH+]=C(N)Nc1ccccc1 306384087 345249752 /nfs/dbraw/zinc/24/97/52/345249752.db2.gz YUGSFQGDWOUGRY-UHFFFAOYSA-N 1 2 179.223 1.574 10 0 ADAELO CC[C@H]1CC[N@@H+]1Cc1nnc(C)s1 306385070 345250097 /nfs/dbraw/zinc/25/00/97/345250097.db2.gz AYZQOTBRXBFLHV-QMMMGPOBSA-N 1 2 197.307 1.831 10 0 ADAELO CC[C@H]1CC[N@H+]1Cc1nnc(C)s1 306385070 345250098 /nfs/dbraw/zinc/25/00/98/345250098.db2.gz AYZQOTBRXBFLHV-QMMMGPOBSA-N 1 2 197.307 1.831 10 0 ADAELO CC[C@@H]1CC[N@@H+]1Cc1nnc(C)s1 306385059 345250170 /nfs/dbraw/zinc/25/01/70/345250170.db2.gz AYZQOTBRXBFLHV-MRVPVSSYSA-N 1 2 197.307 1.831 10 0 ADAELO CC[C@@H]1CC[N@H+]1Cc1nnc(C)s1 306385059 345250171 /nfs/dbraw/zinc/25/01/71/345250171.db2.gz AYZQOTBRXBFLHV-MRVPVSSYSA-N 1 2 197.307 1.831 10 0 ADAELO c1[nH]cc(NC[C@@H]2CCSC2)[nH+]1 306387872 345251703 /nfs/dbraw/zinc/25/17/03/345251703.db2.gz UJANWFNFSCEUQZ-ZETCQYMHSA-N 1 2 183.280 1.575 10 0 ADAELO c1[nH]cc(NC[C@H]2CCSC2)[nH+]1 306387870 345252043 /nfs/dbraw/zinc/25/20/43/345252043.db2.gz UJANWFNFSCEUQZ-SSDOTTSWSA-N 1 2 183.280 1.575 10 0 ADAELO [NH3+][C@H](c1ccccn1)c1ccsn1 306392771 345255098 /nfs/dbraw/zinc/25/50/98/345255098.db2.gz ILDOVCKHQMCGFJ-SECBINFHSA-N 1 2 191.259 1.586 10 0 ADAELO [NH3+][C@@H](c1ccccn1)c1ccsn1 306392772 345255473 /nfs/dbraw/zinc/25/54/73/345255473.db2.gz ILDOVCKHQMCGFJ-VIFPVBQESA-N 1 2 191.259 1.586 10 0 ADAELO CNC(=S)Nc1c(C)cc[nH+]c1C 306395731 345257563 /nfs/dbraw/zinc/25/75/63/345257563.db2.gz QOSHODSEMSYRTI-UHFFFAOYSA-N 1 2 195.291 1.615 10 0 ADAELO C[N@H+](Cc1ncccn1)C1CC1 306395125 345257644 /nfs/dbraw/zinc/25/76/44/345257644.db2.gz FYVBSTBLBYHZPE-UHFFFAOYSA-N 1 2 163.224 1.071 10 0 ADAELO C[N@@H+](Cc1ncccn1)C1CC1 306395125 345257646 /nfs/dbraw/zinc/25/76/46/345257646.db2.gz FYVBSTBLBYHZPE-UHFFFAOYSA-N 1 2 163.224 1.071 10 0 ADAELO CCc1noc([C@H]2C[C@H](F)C[NH2+]2)n1 306399345 345260327 /nfs/dbraw/zinc/26/03/27/345260327.db2.gz FXYGZNPPTDXLGE-NTSWFWBYSA-N 1 2 185.202 1.005 10 0 ADAELO [NH3+][C@H](c1ccsn1)c1cncs1 306399274 345260355 /nfs/dbraw/zinc/26/03/55/345260355.db2.gz FULTWCBWQARTQP-SSDOTTSWSA-N 1 2 197.288 1.648 10 0 ADAELO [NH3+][C@@H](c1ccsn1)c1cncs1 306399276 345260371 /nfs/dbraw/zinc/26/03/71/345260371.db2.gz FULTWCBWQARTQP-ZETCQYMHSA-N 1 2 197.288 1.648 10 0 ADAELO Cn1cnc(-c2ccc[nH+]c2N)c1 306405515 345265050 /nfs/dbraw/zinc/26/50/50/345265050.db2.gz AXSSLNJYRHZGFR-UHFFFAOYSA-N 1 2 174.207 1.064 10 0 ADAELO C[C@@H](O)c1ccc(N2CCC2)[nH+]c1 306405811 345265806 /nfs/dbraw/zinc/26/58/06/345265806.db2.gz FBJIFZDCPXTSGL-MRVPVSSYSA-N 1 2 178.235 1.345 10 0 ADAELO C[NH2+][C@H](C1=COCC1)C(F)F 306408132 345267735 /nfs/dbraw/zinc/26/77/35/345267735.db2.gz HJWKQIDLUQWFAX-ZCFIWIBFSA-N 1 2 163.167 1.144 10 0 ADAELO C[NH2+][C@@H](C1=COCC1)C(F)F 306408130 345267823 /nfs/dbraw/zinc/26/78/23/345267823.db2.gz HJWKQIDLUQWFAX-LURJTMIESA-N 1 2 163.167 1.144 10 0 ADAELO CC(F)(F)[C@H]([NH3+])c1cccnc1 306411320 345270478 /nfs/dbraw/zinc/27/04/78/345270478.db2.gz NPQFAINRFOKFRJ-SSDOTTSWSA-N 1 2 172.178 1.737 10 0 ADAELO CC(F)(F)[C@@H]([NH3+])c1cccnc1 306411321 345270482 /nfs/dbraw/zinc/27/04/82/345270482.db2.gz NPQFAINRFOKFRJ-ZETCQYMHSA-N 1 2 172.178 1.737 10 0 ADAELO Cn1c[nH+]c([C@@]2(C)CCC(=O)C2)c1 306411637 345270854 /nfs/dbraw/zinc/27/08/54/345270854.db2.gz KUWFJTRNNLFOCV-JTQLQIEISA-N 1 2 178.235 1.431 10 0 ADAELO Cn1c[nH+]c([C@]2(C)CCC(=O)C2)c1 306411638 345270912 /nfs/dbraw/zinc/27/09/12/345270912.db2.gz KUWFJTRNNLFOCV-SNVBAGLBSA-N 1 2 178.235 1.431 10 0 ADAELO CC1(C)[C@H](O)CC[N@H+]1CC(F)F 306434999 345295056 /nfs/dbraw/zinc/29/50/56/345295056.db2.gz KTIQGWXXAHEJMA-ZCFIWIBFSA-N 1 2 179.210 1.097 10 0 ADAELO COc1cc(N2CCCC2)cc[nH+]1 306415115 345273206 /nfs/dbraw/zinc/27/32/06/345273206.db2.gz ZJNCXSMWAUYBMS-UHFFFAOYSA-N 1 2 178.235 1.690 10 0 ADAELO CCCN1C(=O)C[NH2+]C12CCCC2 306414677 345273340 /nfs/dbraw/zinc/27/33/40/345273340.db2.gz OLHRDZAGYKOORZ-UHFFFAOYSA-N 1 2 182.267 1.099 10 0 ADAELO C/C=C/C[NH2+][C@H]1CCSC1=O 306420988 345278202 /nfs/dbraw/zinc/27/82/02/345278202.db2.gz YILQHHMAINIFJL-AIYRYJHASA-N 1 2 171.265 1.184 10 0 ADAELO C/C=C/C[NH2+][C@@H]1CCSC1=O 306420989 345278381 /nfs/dbraw/zinc/27/83/81/345278381.db2.gz YILQHHMAINIFJL-TYWZFMJISA-N 1 2 171.265 1.184 10 0 ADAELO C[C@H]1COCC[N@@H+]1Cc1ccc[nH]1 306421783 345278843 /nfs/dbraw/zinc/27/88/43/345278843.db2.gz AARAODIABUALJU-VIFPVBQESA-N 1 2 180.251 1.235 10 0 ADAELO C[C@H]1COCC[N@H+]1Cc1ccc[nH]1 306421783 345278844 /nfs/dbraw/zinc/27/88/44/345278844.db2.gz AARAODIABUALJU-VIFPVBQESA-N 1 2 180.251 1.235 10 0 ADAELO Nc1ccc(Cl)c(C[NH+]2CCC2)n1 306422011 345279082 /nfs/dbraw/zinc/27/90/82/345279082.db2.gz CMXXKSLXIUJYRC-UHFFFAOYSA-N 1 2 197.669 1.523 10 0 ADAELO C[C@@H]1COCC[N@@H+]1Cc1ccc[nH]1 306421780 345279095 /nfs/dbraw/zinc/27/90/95/345279095.db2.gz AARAODIABUALJU-SECBINFHSA-N 1 2 180.251 1.235 10 0 ADAELO C[C@@H]1COCC[N@H+]1Cc1ccc[nH]1 306421780 345279098 /nfs/dbraw/zinc/27/90/98/345279098.db2.gz AARAODIABUALJU-SECBINFHSA-N 1 2 180.251 1.235 10 0 ADAELO C[C@H]1C[C@@H]1c1noc(C[NH+](C)C)n1 306422027 345279260 /nfs/dbraw/zinc/27/92/60/345279260.db2.gz AHZVZBSADUOKLS-BQBZGAKWSA-N 1 2 181.239 1.255 10 0 ADAELO CCNc1cc2cc[nH]c2c[nH+]1 306422684 345280040 /nfs/dbraw/zinc/28/00/40/345280040.db2.gz FPWGFJJCXAHMDZ-UHFFFAOYSA-N 1 2 161.208 1.995 10 0 ADAELO CO[C@@H](C)[C@H](O)c1c[nH+]c(C)c(C)c1 306423542 345280228 /nfs/dbraw/zinc/28/02/28/345280228.db2.gz FTPHMRGWOIISIB-ONGXEEELSA-N 1 2 195.262 1.767 10 0 ADAELO CO[C@@H](C)[C@@H](O)c1c[nH+]c(C)c(C)c1 306423524 345280465 /nfs/dbraw/zinc/28/04/65/345280465.db2.gz FTPHMRGWOIISIB-GXSJLCMTSA-N 1 2 195.262 1.767 10 0 ADAELO CO[C@H](C)[C@H](O)c1c[nH+]c(C)c(C)c1 306423531 345280508 /nfs/dbraw/zinc/28/05/08/345280508.db2.gz FTPHMRGWOIISIB-KOLCDFICSA-N 1 2 195.262 1.767 10 0 ADAELO CO[C@H](C)[C@@H](O)c1c[nH+]c(C)c(C)c1 306423537 345280563 /nfs/dbraw/zinc/28/05/63/345280563.db2.gz FTPHMRGWOIISIB-MWLCHTKSSA-N 1 2 195.262 1.767 10 0 ADAELO ONc1cc[nH+]cc1Cl 306425090 345281571 /nfs/dbraw/zinc/28/15/71/345281571.db2.gz JCWPMTZLYDGNKD-UHFFFAOYSA-N 1 2 144.561 1.536 10 0 ADAELO Oc1cc(F)cc(-c2[nH]cc[nH+]2)c1 306428383 345284992 /nfs/dbraw/zinc/28/49/92/345284992.db2.gz MHSORCRKCNIRMA-UHFFFAOYSA-N 1 2 178.166 1.921 10 0 ADAELO CC(F)(F)[C@H]([NH3+])C1=CCCCO1 306428994 345286378 /nfs/dbraw/zinc/28/63/78/345286378.db2.gz NUFLQFYLYQMJND-SSDOTTSWSA-N 1 2 177.194 1.663 10 0 ADAELO CC(F)(F)[C@@H]([NH3+])C1=CCCCO1 306428995 345286421 /nfs/dbraw/zinc/28/64/21/345286421.db2.gz NUFLQFYLYQMJND-ZETCQYMHSA-N 1 2 177.194 1.663 10 0 ADAELO CC1C[NH+](Cc2cocn2)C1 306429931 345287983 /nfs/dbraw/zinc/28/79/83/345287983.db2.gz KMKSCMRSKOTDQD-UHFFFAOYSA-N 1 2 152.197 1.126 10 0 ADAELO Cc1ccc([Si](C)(C)C)c[nH+]1 306431143 345289396 /nfs/dbraw/zinc/28/93/96/345289396.db2.gz KXPFPVSRZIYEQV-UHFFFAOYSA-N 1 2 165.312 1.935 10 0 ADAELO CC1(CNc2c[nH]c[nH+]2)CC1 306433192 345292353 /nfs/dbraw/zinc/29/23/53/345292353.db2.gz WCFOUEGLDWFZDW-UHFFFAOYSA-N 1 2 151.213 1.622 10 0 ADAELO Cc1ccncc1Cn1cc[nH+]c1 306433049 345292533 /nfs/dbraw/zinc/29/25/33/345292533.db2.gz VNXNGWXQGUQOQE-UHFFFAOYSA-N 1 2 173.219 1.635 10 0 ADAELO C[C@@]1(CO)CCC[N@H+](CC(F)F)C1 306433296 345293104 /nfs/dbraw/zinc/29/31/04/345293104.db2.gz WMGHVTZAYSHSOA-SECBINFHSA-N 1 2 193.237 1.346 10 0 ADAELO C[C@@]1(CO)CCC[N@@H+](CC(F)F)C1 306433296 345293106 /nfs/dbraw/zinc/29/31/06/345293106.db2.gz WMGHVTZAYSHSOA-SECBINFHSA-N 1 2 193.237 1.346 10 0 ADAELO C[C@]1(CO)CCC[N@H+](CC(F)F)C1 306433297 345293256 /nfs/dbraw/zinc/29/32/56/345293256.db2.gz WMGHVTZAYSHSOA-VIFPVBQESA-N 1 2 193.237 1.346 10 0 ADAELO C[C@]1(CO)CCC[N@@H+](CC(F)F)C1 306433297 345293257 /nfs/dbraw/zinc/29/32/57/345293257.db2.gz WMGHVTZAYSHSOA-VIFPVBQESA-N 1 2 193.237 1.346 10 0 ADAELO CC1(C)[C@H](O)CC[N@@H+]1CC(F)F 306434999 345295053 /nfs/dbraw/zinc/29/50/53/345295053.db2.gz KTIQGWXXAHEJMA-ZCFIWIBFSA-N 1 2 179.210 1.097 10 0 ADAELO CC1(C)[C@@H](O)CC[N@@H+]1CC(F)F 306434993 345295397 /nfs/dbraw/zinc/29/53/97/345295397.db2.gz KTIQGWXXAHEJMA-LURJTMIESA-N 1 2 179.210 1.097 10 0 ADAELO CC1(C)[C@@H](O)CC[N@H+]1CC(F)F 306434993 345295398 /nfs/dbraw/zinc/29/53/98/345295398.db2.gz 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306525067 345397276 /nfs/dbraw/zinc/39/72/76/345397276.db2.gz PGPSAGKBVYEGNQ-UHFFFAOYSA-N 1 2 178.195 1.318 10 0 ADAELO Cc1oncc1NCc1c[nH]c[nH+]1 306525067 345397278 /nfs/dbraw/zinc/39/72/78/345397278.db2.gz PGPSAGKBVYEGNQ-UHFFFAOYSA-N 1 2 178.195 1.318 10 0 ADAELO CO[C@H]1C[C@@H](Nc2cccc[nH+]2)C1 306526756 345398756 /nfs/dbraw/zinc/39/87/56/345398756.db2.gz VNHSGNNQJKWNFB-DTORHVGOSA-N 1 2 178.235 1.671 10 0 ADAELO Cc1[nH]c(CNc2ccon2)c[nH+]1 306528167 345399368 /nfs/dbraw/zinc/39/93/68/345399368.db2.gz ZVYLDVNUIUIGEY-UHFFFAOYSA-N 1 2 178.195 1.318 10 0 ADAELO Cc1[nH]cc(CNc2ccon2)[nH+]1 306528167 345399371 /nfs/dbraw/zinc/39/93/71/345399371.db2.gz ZVYLDVNUIUIGEY-UHFFFAOYSA-N 1 2 178.195 1.318 10 0 ADAELO CCn1c[nH+]c([C@@H]2CCCC[C@@H]2O)c1 306531068 345402630 /nfs/dbraw/zinc/40/26/30/345402630.db2.gz ACABOHQMMGIEIZ-ONGXEEELSA-N 1 2 194.278 1.922 10 0 ADAELO CCn1c[nH+]c([C@H]2CCCC[C@@H]2O)c1 306531064 345402712 /nfs/dbraw/zinc/40/27/12/345402712.db2.gz ACABOHQMMGIEIZ-KOLCDFICSA-N 1 2 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/nfs/dbraw/zinc/41/43/47/345414347.db2.gz OPCHBVLMPUQSAI-UHFFFAOYSA-N 1 2 188.234 1.725 10 0 ADAELO c1[nH]cc(NCc2cocn2)[nH+]1 306540429 345414815 /nfs/dbraw/zinc/41/48/15/345414815.db2.gz WJIVXZKYTXWUSL-UHFFFAOYSA-N 1 2 164.168 1.010 10 0 ADAELO CC(C)n1cc([C@@H]2[NH2+]CCS2)nn1 306541799 345416161 /nfs/dbraw/zinc/41/61/61/345416161.db2.gz YHPFYSHEWULYMU-MRVPVSSYSA-N 1 2 198.295 1.194 10 0 ADAELO CC(C)n1cc([C@H]2[NH2+]CCS2)nn1 306541800 345416395 /nfs/dbraw/zinc/41/63/95/345416395.db2.gz YHPFYSHEWULYMU-QMMMGPOBSA-N 1 2 198.295 1.194 10 0 ADAELO Cc1[nH]c(CNc2ncccn2)c[nH+]1 306543684 345417943 /nfs/dbraw/zinc/41/79/43/345417943.db2.gz SUVJPUWXAKZRBR-UHFFFAOYSA-N 1 2 189.222 1.120 10 0 ADAELO Cc1[nH]cc(CNc2ncccn2)[nH+]1 306543684 345417946 /nfs/dbraw/zinc/41/79/46/345417946.db2.gz SUVJPUWXAKZRBR-UHFFFAOYSA-N 1 2 189.222 1.120 10 0 ADAELO Cc1csc(CNc2c[nH]c[nH+]2)n1 306544292 345418111 /nfs/dbraw/zinc/41/81/11/345418111.db2.gz XTPKGHAVUMQIIV-UHFFFAOYSA-N 1 2 194.263 1.787 10 0 ADAELO C[C@H](CC(F)(F)F)[NH+]1CCOCC1 306544096 345418239 /nfs/dbraw/zinc/41/82/39/345418239.db2.gz UGMCGJSKJKERSI-SSDOTTSWSA-N 1 2 197.200 1.660 10 0 ADAELO C[C@@H](CC(F)(F)F)[NH+]1CCOCC1 306544097 345418326 /nfs/dbraw/zinc/41/83/26/345418326.db2.gz UGMCGJSKJKERSI-ZETCQYMHSA-N 1 2 197.200 1.660 10 0 ADAELO Cc1nc(C(=[NH2+])N2CCCC2)co1 306546513 345421147 /nfs/dbraw/zinc/42/11/47/345421147.db2.gz DLYUWHFBBDLFSR-UHFFFAOYSA-N 1 2 179.223 1.404 10 0 ADAELO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC2)C(=O)O1 306546682 345421406 /nfs/dbraw/zinc/42/14/06/345421406.db2.gz BVACQVFTDMTVNT-NEPJDUFXSA-N 1 2 195.262 1.079 10 0 ADAELO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]2C2CC2)C(=O)O1 306546681 345421466 /nfs/dbraw/zinc/42/14/66/345421466.db2.gz BVACQVFTDMTVNT-CUJWVEQBSA-N 1 2 195.262 1.079 10 0 ADAELO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C2CC2)C(=O)O1 306546685 345421521 /nfs/dbraw/zinc/42/15/21/345421521.db2.gz BVACQVFTDMTVNT-PRQTWWFRSA-N 1 2 195.262 1.079 10 0 ADAELO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]2C2CC2)C(=O)O1 306546686 345421589 /nfs/dbraw/zinc/42/15/89/345421589.db2.gz BVACQVFTDMTVNT-QQRDMOCMSA-N 1 2 195.262 1.079 10 0 ADAELO Cc1coc(NCc2c[nH+]cn2C)n1 306547913 345422465 /nfs/dbraw/zinc/42/24/65/345422465.db2.gz XPJAMHUDHUGPLG-UHFFFAOYSA-N 1 2 192.222 1.329 10 0 ADAELO Cc1cnc([C@@H](C)[NH+]2CCC2)o1 306548739 345423478 /nfs/dbraw/zinc/42/34/78/345423478.db2.gz OLDSVUKCGKVZEB-MRVPVSSYSA-N 1 2 166.224 1.750 10 0 ADAELO Cc1cnc([C@H](C)[NH+]2CCC2)o1 306548740 345423519 /nfs/dbraw/zinc/42/35/19/345423519.db2.gz OLDSVUKCGKVZEB-QMMMGPOBSA-N 1 2 166.224 1.750 10 0 ADAELO CCC[N@@H+]1CC(F)(F)C[C@H]1CO 306549527 345424658 /nfs/dbraw/zinc/42/46/58/345424658.db2.gz QGNMYMIMQMRAIL-ZETCQYMHSA-N 1 2 179.210 1.098 10 0 ADAELO CCC[N@H+]1CC(F)(F)C[C@H]1CO 306549527 345424659 /nfs/dbraw/zinc/42/46/59/345424659.db2.gz QGNMYMIMQMRAIL-ZETCQYMHSA-N 1 2 179.210 1.098 10 0 ADAELO CCC[N@@H+]1CC(F)(F)C[C@@H]1CO 306549526 345424710 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1.345 10 0 ADAELO C[C@H]1CCC[C@H](N2CCC[NH2+]2)C1 306551931 345427462 /nfs/dbraw/zinc/42/74/62/345427462.db2.gz CZDLWTVSGYXBMK-UWVGGRQHSA-N 1 2 168.284 1.775 10 0 ADAELO C[C@@H]1CCC[C@@H](N2CCC[NH2+]2)C1 306551930 345427468 /nfs/dbraw/zinc/42/74/68/345427468.db2.gz CZDLWTVSGYXBMK-NXEZZACHSA-N 1 2 168.284 1.775 10 0 ADAELO C[C@H]1CCC[C@@H](N2CCC[NH2+]2)C1 306551932 345427476 /nfs/dbraw/zinc/42/74/76/345427476.db2.gz CZDLWTVSGYXBMK-VHSXEESVSA-N 1 2 168.284 1.775 10 0 ADAELO C[C@@H]1CCC[C@H](N2CCC[NH2+]2)C1 306551933 345427683 /nfs/dbraw/zinc/42/76/83/345427683.db2.gz CZDLWTVSGYXBMK-ZJUUUORDSA-N 1 2 168.284 1.775 10 0 ADAELO C[C@@H](CO)Nc1cc(F)cc[nH+]1 306557123 345432932 /nfs/dbraw/zinc/43/29/32/345432932.db2.gz MWVUBGVEEWOYHB-LURJTMIESA-N 1 2 170.187 1.013 10 0 ADAELO C[C@H](CO)Nc1cc(F)cc[nH+]1 306557124 345433002 /nfs/dbraw/zinc/43/30/02/345433002.db2.gz MWVUBGVEEWOYHB-ZCFIWIBFSA-N 1 2 170.187 1.013 10 0 ADAELO Cc1cc(-n2cc(N)cn2)c[nH+]c1C 306565722 345442367 /nfs/dbraw/zinc/44/23/67/345442367.db2.gz RMPFEAWWGGIAQV-UHFFFAOYSA-N 1 2 188.234 1.466 10 0 ADAELO CCCC1([N@@H+]2CCC(=O)C2)CC1 306568961 345445993 /nfs/dbraw/zinc/44/59/93/345445993.db2.gz VSDIQFUOHWMXAW-UHFFFAOYSA-N 1 2 167.252 1.594 10 0 ADAELO CCCC1([N@H+]2CCC(=O)C2)CC1 306568961 345445995 /nfs/dbraw/zinc/44/59/95/345445995.db2.gz VSDIQFUOHWMXAW-UHFFFAOYSA-N 1 2 167.252 1.594 10 0 ADAELO C[C@@H](Nc1c[nH]c[nH+]1)C(F)(F)F 306569667 345446435 /nfs/dbraw/zinc/44/64/35/345446435.db2.gz LIOKAXDTCCZGQO-SCSAIBSYSA-N 1 2 179.145 1.772 10 0 ADAELO C[C@H](Nc1c[nH]c[nH+]1)C(F)(F)F 306569666 345446827 /nfs/dbraw/zinc/44/68/27/345446827.db2.gz LIOKAXDTCCZGQO-BYPYZUCNSA-N 1 2 179.145 1.772 10 0 ADAELO CCC[C@H](C)[NH+]1CC(F)C1 306573598 345450630 /nfs/dbraw/zinc/45/06/30/345450630.db2.gz QJYKDFLKHAIITL-ZETCQYMHSA-N 1 2 145.221 1.829 10 0 ADAELO CCC[C@@H](C)[NH+]1CC(F)C1 306573597 345450644 /nfs/dbraw/zinc/45/06/44/345450644.db2.gz QJYKDFLKHAIITL-SSDOTTSWSA-N 1 2 145.221 1.829 10 0 ADAELO CC1(C)CN(c2c[nH+]cc(N)c2)C1 306576509 345453639 /nfs/dbraw/zinc/45/36/39/345453639.db2.gz UAKCCGZQYAJKAW-UHFFFAOYSA-N 1 2 177.251 1.510 10 0 ADAELO CC(C)N1C(=O)C[NH2+]C12CCCC2 306579486 345456764 /nfs/dbraw/zinc/45/67/64/345456764.db2.gz XHXHLLZDSVPNAH-UHFFFAOYSA-N 1 2 182.267 1.097 10 0 ADAELO CC1(F)C[NH+]([C@H]2CCCC[C@H]2O)C1 306580220 345457182 /nfs/dbraw/zinc/45/71/82/345457182.db2.gz YGKDRXODSKQPIK-DTWKUNHWSA-N 1 2 187.258 1.334 10 0 ADAELO CC1(F)C[NH+]([C@@H]2CCCC[C@H]2O)C1 306580222 345457200 /nfs/dbraw/zinc/45/72/00/345457200.db2.gz YGKDRXODSKQPIK-RKDXNWHRSA-N 1 2 187.258 1.334 10 0 ADAELO CC1(F)C[NH+]([C@H]2CCCC[C@@H]2O)C1 306580221 345457298 /nfs/dbraw/zinc/45/72/98/345457298.db2.gz YGKDRXODSKQPIK-IUCAKERBSA-N 1 2 187.258 1.334 10 0 ADAELO CC1(F)C[NH+]([C@@H]2CCCC[C@@H]2O)C1 306580219 345457320 /nfs/dbraw/zinc/45/73/20/345457320.db2.gz YGKDRXODSKQPIK-BDAKNGLRSA-N 1 2 187.258 1.334 10 0 ADAELO Cc1c[nH+]ccc1CCn1cncn1 306580018 345457403 /nfs/dbraw/zinc/45/74/03/345457403.db2.gz NZSICLMWGWKDKK-UHFFFAOYSA-N 1 2 188.234 1.224 10 0 ADAELO [NH3+][C@H](c1cscn1)C(F)F 306585756 345462452 /nfs/dbraw/zinc/46/24/52/345462452.db2.gz QZSBDETXBDMXMM-SCSAIBSYSA-N 1 2 164.180 1.408 10 0 ADAELO Nc1ccc(-c2ccns2)c[nH+]1 306585684 345462481 /nfs/dbraw/zinc/46/24/81/345462481.db2.gz QUZYDSHLRFPFBS-UHFFFAOYSA-N 1 2 177.232 1.787 10 0 ADAELO COC[C@H](O)c1c[nH+]c(C)cc1C 306585637 345462655 /nfs/dbraw/zinc/46/26/55/345462655.db2.gz SRAGRROVEXATDJ-JTQLQIEISA-N 1 2 181.235 1.378 10 0 ADAELO COC[C@@H](O)c1c[nH+]c(C)cc1C 306585638 345462736 /nfs/dbraw/zinc/46/27/36/345462736.db2.gz SRAGRROVEXATDJ-SNVBAGLBSA-N 1 2 181.235 1.378 10 0 ADAELO [NH3+][C@@H](c1cscn1)C(F)F 306585755 345462792 /nfs/dbraw/zinc/46/27/92/345462792.db2.gz QZSBDETXBDMXMM-BYPYZUCNSA-N 1 2 164.180 1.408 10 0 ADAELO Cn1ccc([C@@H]([NH3+])C(C)(F)F)n1 306587822 345464998 /nfs/dbraw/zinc/46/49/98/345464998.db2.gz AGHSMWFRVDQPMF-ZCFIWIBFSA-N 1 2 175.182 1.075 10 0 ADAELO Cn1ccc([C@H]([NH3+])C(C)(F)F)n1 306587821 345465042 /nfs/dbraw/zinc/46/50/42/345465042.db2.gz AGHSMWFRVDQPMF-LURJTMIESA-N 1 2 175.182 1.075 10 0 ADAELO CN(C)C(=[NH2+])c1c(O)cccc1Cl 306588378 345465112 /nfs/dbraw/zinc/46/51/12/345465112.db2.gz NGAPDXWXABSJIX-UHFFFAOYSA-N 1 2 198.653 1.933 10 0 ADAELO Cn1c[nH+]cc1[C@@H](O)CC1=CCCC1 306589746 345467062 /nfs/dbraw/zinc/46/70/62/345467062.db2.gz XFBFKNOFZLJTMP-NSHDSACASA-N 1 2 192.262 1.954 10 0 ADAELO Cn1c[nH+]cc1[C@H](O)CC1=CCCC1 306589745 345467174 /nfs/dbraw/zinc/46/71/74/345467174.db2.gz XFBFKNOFZLJTMP-LLVKDONJSA-N 1 2 192.262 1.954 10 0 ADAELO Cc1nc(SCc2[nH]cc[nH+]2)n[nH]1 306590258 345467527 /nfs/dbraw/zinc/46/75/27/345467527.db2.gz VAGLOVCEICGUJO-UHFFFAOYSA-N 1 2 195.251 1.129 10 0 ADAELO C[C@@H]([C@H]1CC1(C)C)N(C)[NH3+] 306590818 345468132 /nfs/dbraw/zinc/46/81/32/345468132.db2.gz YCPKYFMHADLNBW-NKWVEPMBSA-N 1 2 142.246 1.227 10 0 ADAELO C[C@H]([C@H]1CC1(C)C)N(C)[NH3+] 306590819 345468162 /nfs/dbraw/zinc/46/81/62/345468162.db2.gz YCPKYFMHADLNBW-RNFRBKRXSA-N 1 2 142.246 1.227 10 0 ADAELO C[C@H]([C@@H]1CC1(C)C)N(C)[NH3+] 306590820 345468257 /nfs/dbraw/zinc/46/82/57/345468257.db2.gz YCPKYFMHADLNBW-RQJHMYQMSA-N 1 2 142.246 1.227 10 0 ADAELO C[C@@H]([C@@H]1CC1(C)C)N(C)[NH3+] 306590817 345468299 /nfs/dbraw/zinc/46/82/99/345468299.db2.gz YCPKYFMHADLNBW-BQBZGAKWSA-N 1 2 142.246 1.227 10 0 ADAELO CC(C)[C@H](C)N1CCCC[NH2+]1 306592621 345469596 /nfs/dbraw/zinc/46/95/96/345469596.db2.gz ZWXFZNVCHIISPO-VIFPVBQESA-N 1 2 156.273 1.631 10 0 ADAELO C1CCN(CC[C@@H]2CCOC2)[NH2+]C1 306592585 345469732 /nfs/dbraw/zinc/46/97/32/345469732.db2.gz ZTKXUBBDOHMWCV-SNVBAGLBSA-N 1 2 184.283 1.013 10 0 ADAELO CC(C)[C@@H](C)N1CCCC[NH2+]1 306592620 345469834 /nfs/dbraw/zinc/46/98/34/345469834.db2.gz ZWXFZNVCHIISPO-SECBINFHSA-N 1 2 156.273 1.631 10 0 ADAELO C1CCN(CC[C@H]2CCOC2)[NH2+]C1 306592584 345469846 /nfs/dbraw/zinc/46/98/46/345469846.db2.gz ZTKXUBBDOHMWCV-JTQLQIEISA-N 1 2 184.283 1.013 10 0 ADAELO Cc1nnc(C[NH+]2CCCC2)s1 306592845 345470470 /nfs/dbraw/zinc/47/04/70/345470470.db2.gz DHNGFQHCOLVXBC-UHFFFAOYSA-N 1 2 183.280 1.442 10 0 ADAELO CCCN1C(=O)C[NH2+]C12CCCCC2 306594483 345471170 /nfs/dbraw/zinc/47/11/70/345471170.db2.gz DNRSZDZGFRWWKV-UHFFFAOYSA-N 1 2 196.294 1.489 10 0 ADAELO Cc1oncc1NCc1[nH]cc[nH+]1 306596387 345472845 /nfs/dbraw/zinc/47/28/45/345472845.db2.gz VFBGHXMAUSVTDZ-UHFFFAOYSA-N 1 2 178.195 1.318 10 0 ADAELO COc1ccc(C2(F)C[NH2+]C2)s1 306598498 345474737 /nfs/dbraw/zinc/47/47/37/345474737.db2.gz PTWLSIXHISWSPE-UHFFFAOYSA-N 1 2 187.239 1.525 10 0 ADAELO C[C@@H]1[NH2+][C@@]2(CCCC[C@@H]2C)NC1=O 306599438 345475595 /nfs/dbraw/zinc/47/55/95/345475595.db2.gz HIOVXQSBMDSMNM-NRPADANISA-N 1 2 182.267 1.001 10 0 ADAELO C[C@@H]1[NH2+][C@]2(CCCC[C@@H]2C)NC1=O 306599439 345475773 /nfs/dbraw/zinc/47/57/73/345475773.db2.gz HIOVXQSBMDSMNM-OYNCUSHFSA-N 1 2 182.267 1.001 10 0 ADAELO C[C@@H]1[NH2+][C@]2(CCCC[C@H]2C)NC1=O 306599437 345475783 /nfs/dbraw/zinc/47/57/83/345475783.db2.gz HIOVXQSBMDSMNM-KHQFGBGNSA-N 1 2 182.267 1.001 10 0 ADAELO Cc1cc(N[C@@H]2CC[C@@H]3C[C@@H]32)nc[nH+]1 306599566 345475799 /nfs/dbraw/zinc/47/57/99/345475799.db2.gz RRNDSGUCOYOLJE-KXUCPTDWSA-N 1 2 189.262 1.995 10 0 ADAELO Cc1cc(N[C@@H]2CC[C@H]3C[C@H]32)nc[nH+]1 306599565 345475812 /nfs/dbraw/zinc/47/58/12/345475812.db2.gz RRNDSGUCOYOLJE-IVZWLZJFSA-N 1 2 189.262 1.995 10 0 ADAELO C[C@@H]1[NH2+][C@@]2(CCCC[C@H]2C)NC1=O 306599440 345475886 /nfs/dbraw/zinc/47/58/86/345475886.db2.gz HIOVXQSBMDSMNM-WEDXCCLWSA-N 1 2 182.267 1.001 10 0 ADAELO Cc1cnc(-n2cc[nH+]c2)nc1C 306600052 345476314 /nfs/dbraw/zinc/47/63/14/345476314.db2.gz INMPGESLQNPJOR-UHFFFAOYSA-N 1 2 174.207 1.279 10 0 ADAELO CC(C)[C@@H](C)Nc1c[nH]c[nH+]1 306601535 345477311 /nfs/dbraw/zinc/47/73/11/345477311.db2.gz JZCYOJGPNKHRKH-SSDOTTSWSA-N 1 2 153.229 1.866 10 0 ADAELO CCC[NH+]1CC(O)(C(F)(F)F)C1 306601651 345477489 /nfs/dbraw/zinc/47/74/89/345477489.db2.gz KDKIXKZNRLVZKJ-UHFFFAOYSA-N 1 2 183.173 1.005 10 0 ADAELO CC(C)[C@H](C)Nc1c[nH]c[nH+]1 306601537 345477598 /nfs/dbraw/zinc/47/75/98/345477598.db2.gz JZCYOJGPNKHRKH-ZETCQYMHSA-N 1 2 153.229 1.866 10 0 ADAELO Cc1oc(=S)n(C[NH+](C)C)c1C 306601907 345478137 /nfs/dbraw/zinc/47/81/37/345478137.db2.gz KUVJCJRDXWKKOG-UHFFFAOYSA-N 1 2 186.280 1.947 10 0 ADAELO COC(C)(C)Cn1cc[nH+]c1 306603438 345479090 /nfs/dbraw/zinc/47/90/90/345479090.db2.gz MRYFICWBOQCHIP-UHFFFAOYSA-N 1 2 154.213 1.308 10 0 ADAELO C1=C(C[NH2+]N2CCCCC2)COCC1 306605258 345480525 /nfs/dbraw/zinc/48/05/25/345480525.db2.gz ZYEUMUYUSBTACV-UHFFFAOYSA-N 1 2 196.294 1.324 10 0 ADAELO COc1[nH+]ccc(N)c1C(F)(F)F 306608753 345482741 /nfs/dbraw/zinc/48/27/41/345482741.db2.gz WZSAXXSQDKZBHW-UHFFFAOYSA-N 1 2 192.140 1.691 10 0 ADAELO CC(C)[S@@](=O)Nc1cc[nH+]cc1N 306608876 345483269 /nfs/dbraw/zinc/48/32/69/345483269.db2.gz JRMQLJJBNQAPOU-CYBMUJFWSA-N 1 2 199.279 1.148 10 0 ADAELO [NH3+][C@H](c1ccccn1)c1ccns1 306613428 345486931 /nfs/dbraw/zinc/48/69/31/345486931.db2.gz NTQJFXBTSNSVGA-SECBINFHSA-N 1 2 191.259 1.586 10 0 ADAELO COC1(CNc2c[nH]c[nH+]2)CCCC1 306613076 345487085 /nfs/dbraw/zinc/48/70/85/345487085.db2.gz KBYFKVJZCFALKF-UHFFFAOYSA-N 1 2 195.266 1.781 10 0 ADAELO C[C@@H](O)CNc1cc2cc[nH]c2c[nH+]1 306613021 345487092 /nfs/dbraw/zinc/48/70/92/345487092.db2.gz JVEPEIVARRDMBG-SSDOTTSWSA-N 1 2 191.234 1.356 10 0 ADAELO C[C@H](O)CNc1cc2cc[nH]c2c[nH+]1 306613022 345487185 /nfs/dbraw/zinc/48/71/85/345487185.db2.gz JVEPEIVARRDMBG-ZETCQYMHSA-N 1 2 191.234 1.356 10 0 ADAELO [NH3+][C@@H](c1ccccn1)c1ccns1 306613429 345487194 /nfs/dbraw/zinc/48/71/94/345487194.db2.gz NTQJFXBTSNSVGA-VIFPVBQESA-N 1 2 191.259 1.586 10 0 ADAELO CC[C@H]1CS[C@H](c2ccn(C)n2)[NH2+]1 306615895 345489334 /nfs/dbraw/zinc/48/93/34/345489334.db2.gz OLGBYMRORIWXQI-IONNQARKSA-N 1 2 197.307 1.534 10 0 ADAELO CC[C@@H]1CS[C@H](c2ccn(C)n2)[NH2+]1 306615896 345489351 /nfs/dbraw/zinc/48/93/51/345489351.db2.gz OLGBYMRORIWXQI-VXNVDRBHSA-N 1 2 197.307 1.534 10 0 ADAELO CC[C@@H]1CS[C@@H](c2ccn(C)n2)[NH2+]1 306615893 345489385 /nfs/dbraw/zinc/48/93/85/345489385.db2.gz OLGBYMRORIWXQI-APPZFPTMSA-N 1 2 197.307 1.534 10 0 ADAELO C[C@@H]([C@H]1CCCOC1)[NH+]1CC(F)C1 306619395 345492196 /nfs/dbraw/zinc/49/21/96/345492196.db2.gz UZDFDAATDWLYCP-IUCAKERBSA-N 1 2 187.258 1.455 10 0 ADAELO C[C@H]([C@@H]1CCCOC1)[NH+]1CC(F)C1 306619396 345492238 /nfs/dbraw/zinc/49/22/38/345492238.db2.gz UZDFDAATDWLYCP-RKDXNWHRSA-N 1 2 187.258 1.455 10 0 ADAELO C[C@@H]([C@@H]1CCCOC1)[NH+]1CC(F)C1 306619394 345492252 /nfs/dbraw/zinc/49/22/52/345492252.db2.gz UZDFDAATDWLYCP-DTWKUNHWSA-N 1 2 187.258 1.455 10 0 ADAELO C[C@H]([C@H]1CCCOC1)[NH+]1CC(F)C1 306619393 345492619 /nfs/dbraw/zinc/49/26/19/345492619.db2.gz UZDFDAATDWLYCP-BDAKNGLRSA-N 1 2 187.258 1.455 10 0 ADAELO c1[nH]cc(NCc2cncs2)[nH+]1 306619639 345492810 /nfs/dbraw/zinc/49/28/10/345492810.db2.gz VOAQZOBAHCWRTG-UHFFFAOYSA-N 1 2 180.236 1.478 10 0 ADAELO C[C@@H]1C[NH2+][C@@H](c2nccn2C)S1 306619994 345492817 /nfs/dbraw/zinc/49/28/17/345492817.db2.gz UMJLGJDDLWEJEX-HTRCEHHLSA-N 1 2 183.280 1.144 10 0 ADAELO C[C@H]1C[NH2+][C@H](c2nccn2C)S1 306620089 345493533 /nfs/dbraw/zinc/49/35/33/345493533.db2.gz UMJLGJDDLWEJEX-XPUUQOCRSA-N 1 2 183.280 1.144 10 0 ADAELO CNc1[nH+]cnc(NCCF)c1C 306620699 345493589 /nfs/dbraw/zinc/49/35/89/345493589.db2.gz XNVYCUDZNPPMHT-UHFFFAOYSA-N 1 2 184.218 1.208 10 0 ADAELO CNc1nc[nH+]c(NCCF)c1C 306620699 345493591 /nfs/dbraw/zinc/49/35/91/345493591.db2.gz XNVYCUDZNPPMHT-UHFFFAOYSA-N 1 2 184.218 1.208 10 0 ADAELO C[C@@H]1C[NH2+][C@H](c2nccn2C)S1 306620088 345493645 /nfs/dbraw/zinc/49/36/45/345493645.db2.gz UMJLGJDDLWEJEX-SVRRBLITSA-N 1 2 183.280 1.144 10 0 ADAELO O=Cc1cnc(Cn2cc[nH+]c2)s1 306625239 345497314 /nfs/dbraw/zinc/49/73/14/345497314.db2.gz GMXCOSMAMRVHHH-UHFFFAOYSA-N 1 2 193.231 1.200 10 0 ADAELO Cc1sc(Cn2cc[nH+]c2)nc1N 306626982 345498683 /nfs/dbraw/zinc/49/86/83/345498683.db2.gz IJRJXAVGZJLKEM-UHFFFAOYSA-N 1 2 194.263 1.279 10 0 ADAELO O=C1CSC(Cn2cc[nH+]c2)=N1 306627785 345499071 /nfs/dbraw/zinc/49/90/71/345499071.db2.gz JBEBBSNQXFPEKQ-UHFFFAOYSA-N 1 2 181.220 1.094 10 0 ADAELO C[C@H](O)[C@@H](C)[NH2+]c1ccc(N)c(N)c1 306636464 345504964 /nfs/dbraw/zinc/50/49/64/345504964.db2.gz LWHVRBKPXIRXDW-RQJHMYQMSA-N 1 2 195.266 1.032 10 0 ADAELO C[C@H]([NH2+]c1ccc(N)c(N)c1)[C@@H](C)O 306636462 345504995 /nfs/dbraw/zinc/50/49/95/345504995.db2.gz LWHVRBKPXIRXDW-NKWVEPMBSA-N 1 2 195.266 1.032 10 0 ADAELO S=c1ccnc(Cn2cc[nH+]c2)[nH]1 306641502 345509649 /nfs/dbraw/zinc/50/96/49/345509649.db2.gz QRTAAIHAYSBYQI-UHFFFAOYSA-N 1 2 192.247 1.384 10 0 ADAELO C[NH2+][C@@]1(C(F)F)COC(C)(C)C1 306645819 345514699 /nfs/dbraw/zinc/51/46/99/345514699.db2.gz FXBIZMGPFGFETE-MRVPVSSYSA-N 1 2 179.210 1.409 10 0 ADAELO C[NH2+][C@]1(C(F)F)COC(C)(C)C1 306645822 345514795 /nfs/dbraw/zinc/51/47/95/345514795.db2.gz FXBIZMGPFGFETE-QMMMGPOBSA-N 1 2 179.210 1.409 10 0 ADAELO C[C@@H]1CSCC[N@@H+]1Cc1ncc[nH]1 306650371 345517708 /nfs/dbraw/zinc/51/77/08/345517708.db2.gz FKAIQUYRTKVALY-MRVPVSSYSA-N 1 2 197.307 1.347 10 0 ADAELO C[C@@H]1CSCC[N@H+]1Cc1ncc[nH]1 306650371 345517710 /nfs/dbraw/zinc/51/77/10/345517710.db2.gz FKAIQUYRTKVALY-MRVPVSSYSA-N 1 2 197.307 1.347 10 0 ADAELO C[C@H]1CSCC[N@@H+]1Cc1ncc[nH]1 306650372 345517906 /nfs/dbraw/zinc/51/79/06/345517906.db2.gz FKAIQUYRTKVALY-QMMMGPOBSA-N 1 2 197.307 1.347 10 0 ADAELO C[C@H]1CSCC[N@H+]1Cc1ncc[nH]1 306650372 345517907 /nfs/dbraw/zinc/51/79/07/345517907.db2.gz FKAIQUYRTKVALY-QMMMGPOBSA-N 1 2 197.307 1.347 10 0 ADAELO O=C1CC[N@H+](CCC2CCOCC2)C1 306652320 345519035 /nfs/dbraw/zinc/51/90/35/345519035.db2.gz GNFKYDQSVBKFEN-UHFFFAOYSA-N 1 2 197.278 1.078 10 0 ADAELO O=C1CC[N@@H+](CCC2CCOCC2)C1 306652320 345519037 /nfs/dbraw/zinc/51/90/37/345519037.db2.gz GNFKYDQSVBKFEN-UHFFFAOYSA-N 1 2 197.278 1.078 10 0 ADAELO c1ncc([C@H]2[NH2+]CCCS2)cn1 306653108 345519720 /nfs/dbraw/zinc/51/97/20/345519720.db2.gz GTKBSUCITJQWSB-QMMMGPOBSA-N 1 2 181.264 1.202 10 0 ADAELO c1ncc([C@@H]2[NH2+]CCCS2)cn1 306653106 345519852 /nfs/dbraw/zinc/51/98/52/345519852.db2.gz GTKBSUCITJQWSB-MRVPVSSYSA-N 1 2 181.264 1.202 10 0 ADAELO Cc1ncc(CNc2c[nH]c[nH+]2)s1 306654821 345521162 /nfs/dbraw/zinc/52/11/62/345521162.db2.gz HUZVPZIQJGXQBN-UHFFFAOYSA-N 1 2 194.263 1.787 10 0 ADAELO CNc1nc(N)[nH+]c2ccsc12 306655253 345521308 /nfs/dbraw/zinc/52/13/08/345521308.db2.gz IJBPGACTUOYREK-UHFFFAOYSA-N 1 2 180.236 1.315 10 0 ADAELO C[NH2+]C1(c2ncn[nH]2)CCCCC1 306656539 345521765 /nfs/dbraw/zinc/52/17/65/345521765.db2.gz LUZDAAORIWCECY-UHFFFAOYSA-N 1 2 180.255 1.184 10 0 ADAELO CC1(C)C[C@@H]([NH2+]Cc2ccn[nH]2)CO1 306663967 345527759 /nfs/dbraw/zinc/52/77/59/345527759.db2.gz WOSTWEVNXCGSAC-SECBINFHSA-N 1 2 195.266 1.067 10 0 ADAELO CC1(C)C[C@H]([NH2+]Cc2ccn[nH]2)CO1 306664157 345527852 /nfs/dbraw/zinc/52/78/52/345527852.db2.gz WOSTWEVNXCGSAC-VIFPVBQESA-N 1 2 195.266 1.067 10 0 ADAELO C[C@]1(c2nnc(C[NH3+])[nH]2)CCCS1 306665504 345528758 /nfs/dbraw/zinc/52/87/58/345528758.db2.gz YHQQPDJWDDLJJJ-MRVPVSSYSA-N 1 2 198.295 1.006 10 0 ADAELO C[C@@]1(c2nnc(C[NH3+])[nH]2)CCCS1 306665505 345528909 /nfs/dbraw/zinc/52/89/09/345528909.db2.gz YHQQPDJWDDLJJJ-QMMMGPOBSA-N 1 2 198.295 1.006 10 0 ADAELO CC1(C)C[NH+](Cc2csc(N)n2)C1 306667693 345530210 /nfs/dbraw/zinc/53/02/10/345530210.db2.gz JRVFMBHEWRECFE-UHFFFAOYSA-N 1 2 197.307 1.567 10 0 ADAELO CC[C@@](C)(O)C[NH+]1CC(C)(F)C1 306668008 345530653 /nfs/dbraw/zinc/53/06/53/345530653.db2.gz FKZCUXOSHVEVJX-SECBINFHSA-N 1 2 175.247 1.191 10 0 ADAELO CC[C@](C)(O)C[NH+]1CC(C)(F)C1 306668009 345531042 /nfs/dbraw/zinc/53/10/42/345531042.db2.gz FKZCUXOSHVEVJX-VIFPVBQESA-N 1 2 175.247 1.191 10 0 ADAELO O=C1CC[N@H+](C[C@H]2CCCSC2)C1 306669895 345531732 /nfs/dbraw/zinc/53/17/32/345531732.db2.gz GYPHJRQULCMVER-SECBINFHSA-N 1 2 199.319 1.404 10 0 ADAELO O=C1CC[N@@H+](C[C@H]2CCCSC2)C1 306669895 345531733 /nfs/dbraw/zinc/53/17/33/345531733.db2.gz GYPHJRQULCMVER-SECBINFHSA-N 1 2 199.319 1.404 10 0 ADAELO O=C1CC[N@H+](C[C@@H]2CCCSC2)C1 306669902 345531958 /nfs/dbraw/zinc/53/19/58/345531958.db2.gz GYPHJRQULCMVER-VIFPVBQESA-N 1 2 199.319 1.404 10 0 ADAELO O=C1CC[N@@H+](C[C@@H]2CCCSC2)C1 306669902 345531959 /nfs/dbraw/zinc/53/19/59/345531959.db2.gz GYPHJRQULCMVER-VIFPVBQESA-N 1 2 199.319 1.404 10 0 ADAELO CC1(C)SC[C@@H]1[N@H+]1CCC(=O)C1 306673144 345534182 /nfs/dbraw/zinc/53/41/82/345534182.db2.gz CDUOWWWGXWTHMA-QMMMGPOBSA-N 1 2 185.292 1.155 10 0 ADAELO CC1(C)SC[C@@H]1[N@@H+]1CCC(=O)C1 306673144 345534179 /nfs/dbraw/zinc/53/41/79/345534179.db2.gz CDUOWWWGXWTHMA-QMMMGPOBSA-N 1 2 185.292 1.155 10 0 ADAELO CC1(C)SC[C@H]1[N@@H+]1CCC(=O)C1 306673143 345534393 /nfs/dbraw/zinc/53/43/93/345534393.db2.gz CDUOWWWGXWTHMA-MRVPVSSYSA-N 1 2 185.292 1.155 10 0 ADAELO CC1(C)SC[C@H]1[N@H+]1CCC(=O)C1 306673143 345534395 /nfs/dbraw/zinc/53/43/95/345534395.db2.gz CDUOWWWGXWTHMA-MRVPVSSYSA-N 1 2 185.292 1.155 10 0 ADAELO Cc1nc(NC2(C)CCC2)nc(N)[nH+]1 306674110 345535499 /nfs/dbraw/zinc/53/54/99/345535499.db2.gz PLRNQZBQTYWRJA-UHFFFAOYSA-N 1 2 193.254 1.117 10 0 ADAELO Cc1nc(N)nc(NC2(C)CCC2)[nH+]1 306674110 345535500 /nfs/dbraw/zinc/53/55/00/345535500.db2.gz PLRNQZBQTYWRJA-UHFFFAOYSA-N 1 2 193.254 1.117 10 0 ADAELO CCCNc1nc(N)nc(C(C)C)[nH+]1 306673866 345535707 /nfs/dbraw/zinc/53/57/07/345535707.db2.gz OSHNXGSFLCKGDG-UHFFFAOYSA-N 1 2 195.270 1.399 10 0 ADAELO C[C@H](O)c1ccc[nH+]c1N1CC=CC1 306673992 345535778 /nfs/dbraw/zinc/53/57/78/345535778.db2.gz PALBONHUMYPCPD-VIFPVBQESA-N 1 2 190.246 1.511 10 0 ADAELO CC[C@]1(C(C)C)[NH2+]CC(=O)N1C1CC1 306674535 345536063 /nfs/dbraw/zinc/53/60/63/345536063.db2.gz QOSFRUNDRQUDJI-NSHDSACASA-N 1 2 196.294 1.343 10 0 ADAELO CC[C@@]1(C(C)C)[NH2+]CC(=O)N1C1CC1 306674534 345536403 /nfs/dbraw/zinc/53/64/03/345536403.db2.gz QOSFRUNDRQUDJI-LLVKDONJSA-N 1 2 196.294 1.343 10 0 ADAELO Fc1ccc(CNc2c[nH]c[nH+]2)cn1 306674510 345536553 /nfs/dbraw/zinc/53/65/53/345536553.db2.gz QNIWZPBBMGEWJE-UHFFFAOYSA-N 1 2 192.197 1.556 10 0 ADAELO Cn1cnc([C@H]2[NH2+]CCCS2)c1 306679958 345541433 /nfs/dbraw/zinc/54/14/33/345541433.db2.gz JIRJTZKPQBMUDI-QMMMGPOBSA-N 1 2 183.280 1.145 10 0 ADAELO Cn1cnc([C@@H]2[NH2+]CCCS2)c1 306679957 345541627 /nfs/dbraw/zinc/54/16/27/345541627.db2.gz JIRJTZKPQBMUDI-MRVPVSSYSA-N 1 2 183.280 1.145 10 0 ADAELO CC1(C)OCC[C@H]1[NH2+]Cc1ccn[nH]1 306682234 345543457 /nfs/dbraw/zinc/54/34/57/345543457.db2.gz QNWHJGRTDLCLIB-SECBINFHSA-N 1 2 195.266 1.067 10 0 ADAELO Cc1ccc([C@@H](C)[NH+]2CCOCC2)o1 306691519 345550213 /nfs/dbraw/zinc/55/02/13/345550213.db2.gz QLGRFHDOFHHBHY-SNVBAGLBSA-N 1 2 195.262 1.981 10 0 ADAELO Cc1ncc(NCc2[nH]cc[nH+]2)s1 306693483 345551297 /nfs/dbraw/zinc/55/12/97/345551297.db2.gz RJTFCOSMVQINDV-UHFFFAOYSA-N 1 2 194.263 1.787 10 0 ADAELO Cc1nc(N[C@@H](C)C(F)F)cc[nH+]1 306695873 345552714 /nfs/dbraw/zinc/55/27/14/345552714.db2.gz WQEWQQJKSFSIBM-YFKPBYRVSA-N 1 2 187.193 1.851 10 0 ADAELO CC[C@@H]1CC[N@@H+]1Cn1cc(Cl)cn1 306701076 345555808 /nfs/dbraw/zinc/55/58/08/345555808.db2.gz GGZWVRMMWJYUBH-SECBINFHSA-N 1 2 199.685 1.978 10 0 ADAELO CC[C@@H]1CC[N@H+]1Cn1cc(Cl)cn1 306701076 345555810 /nfs/dbraw/zinc/55/58/10/345555810.db2.gz GGZWVRMMWJYUBH-SECBINFHSA-N 1 2 199.685 1.978 10 0 ADAELO CC[C@H]1CC[N@@H+]1Cn1cc(Cl)cn1 306701080 345556127 /nfs/dbraw/zinc/55/61/27/345556127.db2.gz GGZWVRMMWJYUBH-VIFPVBQESA-N 1 2 199.685 1.978 10 0 ADAELO CC[C@H]1CC[N@H+]1Cn1cc(Cl)cn1 306701080 345556128 /nfs/dbraw/zinc/55/61/28/345556128.db2.gz GGZWVRMMWJYUBH-VIFPVBQESA-N 1 2 199.685 1.978 10 0 ADAELO CCC[C@]1(C)NC(=O)C[N@@H+]1C(C)C 306707210 345560420 /nfs/dbraw/zinc/56/04/20/345560420.db2.gz JMGVKQXNUURIMZ-SNVBAGLBSA-N 1 2 184.283 1.343 10 0 ADAELO CCC[C@]1(C)NC(=O)C[N@H+]1C(C)C 306707210 345560422 /nfs/dbraw/zinc/56/04/22/345560422.db2.gz JMGVKQXNUURIMZ-SNVBAGLBSA-N 1 2 184.283 1.343 10 0 ADAELO CCC[C@@]1(C)NC(=O)C[N@@H+]1C(C)C 306707208 345560428 /nfs/dbraw/zinc/56/04/28/345560428.db2.gz JMGVKQXNUURIMZ-JTQLQIEISA-N 1 2 184.283 1.343 10 0 ADAELO CCC[C@@]1(C)NC(=O)C[N@H+]1C(C)C 306707208 345560431 /nfs/dbraw/zinc/56/04/31/345560431.db2.gz JMGVKQXNUURIMZ-JTQLQIEISA-N 1 2 184.283 1.343 10 0 ADAELO CO[C@@H](C)CNc1c[nH+]cc(C)c1 306707541 345561110 /nfs/dbraw/zinc/56/11/10/345561110.db2.gz MXJMSJKCFIPCHT-VIFPVBQESA-N 1 2 180.251 1.837 10 0 ADAELO CO[C@H](C)CNc1c[nH+]cc(C)c1 306707540 345561483 /nfs/dbraw/zinc/56/14/83/345561483.db2.gz MXJMSJKCFIPCHT-SECBINFHSA-N 1 2 180.251 1.837 10 0 ADAELO Cc1cc([C@H](N)C[NH+]2CCC2)sn1 306713247 345565735 /nfs/dbraw/zinc/56/57/35/345565735.db2.gz VBJDTLOLBWPJCA-MRVPVSSYSA-N 1 2 197.307 1.157 10 0 ADAELO Nc1cc(C(F)(F)F)c(O)c[nH+]1 306713085 345565787 /nfs/dbraw/zinc/56/57/87/345565787.db2.gz ZXNRPBXHGVWNPH-UHFFFAOYSA-N 1 2 178.113 1.388 10 0 ADAELO Cc1cc([C@@H](N)C[NH+]2CCC2)sn1 306713248 345565900 /nfs/dbraw/zinc/56/59/00/345565900.db2.gz VBJDTLOLBWPJCA-QMMMGPOBSA-N 1 2 197.307 1.157 10 0 ADAELO C[C@H]1C(=O)CC[C@H]1c1cn(C)c[nH+]1 306719544 345571262 /nfs/dbraw/zinc/57/12/62/345571262.db2.gz LBYIDYNVVOCRTG-HTQZYQBOSA-N 1 2 178.235 1.503 10 0 ADAELO C[C@H]1C(=O)CC[C@@H]1c1cn(C)c[nH+]1 306719546 345570762 /nfs/dbraw/zinc/57/07/62/345570762.db2.gz LBYIDYNVVOCRTG-SFYZADRCSA-N 1 2 178.235 1.503 10 0 ADAELO C[C@@H]1C(=O)CC[C@@H]1c1cn(C)c[nH+]1 306719547 345570767 /nfs/dbraw/zinc/57/07/67/345570767.db2.gz LBYIDYNVVOCRTG-YUMQZZPRSA-N 1 2 178.235 1.503 10 0 ADAELO C[C@@H]1C(=O)CC[C@H]1c1cn(C)c[nH+]1 306719545 345570807 /nfs/dbraw/zinc/57/08/07/345570807.db2.gz LBYIDYNVVOCRTG-JGVFFNPUSA-N 1 2 178.235 1.503 10 0 ADAELO Fc1cc[nH+]c(NC[C@H]2CCOC2)c1 306724187 345574433 /nfs/dbraw/zinc/57/44/33/345574433.db2.gz IHKCLVBYTPGHMG-MRVPVSSYSA-N 1 2 196.225 1.669 10 0 ADAELO Fc1cc[nH+]c(NC[C@@H]2CCOC2)c1 306724188 345574976 /nfs/dbraw/zinc/57/49/76/345574976.db2.gz IHKCLVBYTPGHMG-QMMMGPOBSA-N 1 2 196.225 1.669 10 0 ADAELO Oc1ccc[nH+]c1NCc1ncc[nH]1 306724789 345575220 /nfs/dbraw/zinc/57/52/20/345575220.db2.gz JFOJZMRCKXVLQB-UHFFFAOYSA-N 1 2 190.206 1.122 10 0 ADAELO Cc1cc(NCC[C@H](C)F)nc[nH+]1 306726116 345576380 /nfs/dbraw/zinc/57/63/80/345576380.db2.gz LRGXTNAFKBYEAG-ZETCQYMHSA-N 1 2 183.230 1.945 10 0 ADAELO Cc1cc(NCC[C@@H](C)F)nc[nH+]1 306726115 345576932 /nfs/dbraw/zinc/57/69/32/345576932.db2.gz LRGXTNAFKBYEAG-SSDOTTSWSA-N 1 2 183.230 1.945 10 0 ADAELO CC(C)[C@H](C)[C@@H](O)c1ccc[nH+]c1N 306729718 345579090 /nfs/dbraw/zinc/57/90/90/345579090.db2.gz OUTRRRLLFDSBOD-WCBMZHEXSA-N 1 2 194.278 1.989 10 0 ADAELO CC(C)[C@H](C)[C@H](O)c1ccc[nH+]c1N 306729719 345579254 /nfs/dbraw/zinc/57/92/54/345579254.db2.gz OUTRRRLLFDSBOD-WPRPVWTQSA-N 1 2 194.278 1.989 10 0 ADAELO CC(C)[C@@H](C)[C@H](O)c1ccc[nH+]c1N 306729717 345579269 /nfs/dbraw/zinc/57/92/69/345579269.db2.gz OUTRRRLLFDSBOD-SCZZXKLOSA-N 1 2 194.278 1.989 10 0 ADAELO CC(C)[C@@H](C)[C@@H](O)c1ccc[nH+]c1N 306729716 345579324 /nfs/dbraw/zinc/57/93/24/345579324.db2.gz OUTRRRLLFDSBOD-PSASIEDQSA-N 1 2 194.278 1.989 10 0 ADAELO CCc1noc([C@@H]2C[C@H](F)C[NH2+]2)n1 306731237 345579569 /nfs/dbraw/zinc/57/95/69/345579569.db2.gz FXYGZNPPTDXLGE-WDSKDSINSA-N 1 2 185.202 1.005 10 0 ADAELO CCc1noc([C@H]2C[C@@H](F)C[NH2+]2)n1 306731234 345579701 /nfs/dbraw/zinc/57/97/01/345579701.db2.gz FXYGZNPPTDXLGE-PHDIDXHHSA-N 1 2 185.202 1.005 10 0 ADAELO CCc1noc([C@@H]2C[C@@H](F)C[NH2+]2)n1 306731236 345579719 /nfs/dbraw/zinc/57/97/19/345579719.db2.gz FXYGZNPPTDXLGE-RITPCOANSA-N 1 2 185.202 1.005 10 0 ADAELO CN1c2c[nH+]ccc2NC(=O)C1(C)C 306733643 345581677 /nfs/dbraw/zinc/58/16/77/345581677.db2.gz TXBKHPVACPELQV-UHFFFAOYSA-N 1 2 191.234 1.249 10 0 ADAELO CN1CC(=O)Nc2c[nH+]cc(Cl)c21 306734600 345582521 /nfs/dbraw/zinc/58/25/21/345582521.db2.gz UYRWVXSHBKTONU-UHFFFAOYSA-N 1 2 197.625 1.123 10 0 ADAELO Fc1c[nH+]ccc1NCc1cocn1 306736310 345583878 /nfs/dbraw/zinc/58/38/78/345583878.db2.gz XIULOPYBFNASCN-UHFFFAOYSA-N 1 2 193.181 1.821 10 0 ADAELO Cc1cc[nH+]c(C)c1-n1ccc(N)n1 306737999 345584917 /nfs/dbraw/zinc/58/49/17/345584917.db2.gz ADVRQXVTTMPWSZ-UHFFFAOYSA-N 1 2 188.234 1.466 10 0 ADAELO CC1C[NH+](Cc2cscn2)C1 306746170 345588537 /nfs/dbraw/zinc/58/85/37/345588537.db2.gz DEZDMASACWLCLI-UHFFFAOYSA-N 1 2 168.265 1.595 10 0 ADAELO CCn1ccnc1[C@@H]1[NH2+][C@H](C)CS1 306752442 345591989 /nfs/dbraw/zinc/59/19/89/345591989.db2.gz LTHXCSWACOXNHC-VXNVDRBHSA-N 1 2 197.307 1.627 10 0 ADAELO CCn1ccnc1[C@@H]1[NH2+][C@@H](C)CS1 306752441 345591996 /nfs/dbraw/zinc/59/19/96/345591996.db2.gz LTHXCSWACOXNHC-IONNQARKSA-N 1 2 197.307 1.627 10 0 ADAELO CCn1ccnc1[C@H]1[NH2+][C@@H](C)CS1 306752440 345592129 /nfs/dbraw/zinc/59/21/29/345592129.db2.gz LTHXCSWACOXNHC-CBAPKCEASA-N 1 2 197.307 1.627 10 0 ADAELO CCn1ccnc1[C@H]1[NH2+][C@H](C)CS1 306752439 345592164 /nfs/dbraw/zinc/59/21/64/345592164.db2.gz LTHXCSWACOXNHC-APPZFPTMSA-N 1 2 197.307 1.627 10 0 ADAELO CC[N@@H+]1CC(=O)N(C)[C@]1(C)C(C)C 306752830 345592212 /nfs/dbraw/zinc/59/22/12/345592212.db2.gz JASQNLUQDXYQKD-JTQLQIEISA-N 1 2 184.283 1.153 10 0 ADAELO CC[N@H+]1CC(=O)N(C)[C@]1(C)C(C)C 306752830 345592213 /nfs/dbraw/zinc/59/22/13/345592213.db2.gz JASQNLUQDXYQKD-JTQLQIEISA-N 1 2 184.283 1.153 10 0 ADAELO CC[N@@H+]1CC(=O)N(C)[C@@]1(C)C(C)C 306752831 345592446 /nfs/dbraw/zinc/59/24/46/345592446.db2.gz JASQNLUQDXYQKD-SNVBAGLBSA-N 1 2 184.283 1.153 10 0 ADAELO CC[N@H+]1CC(=O)N(C)[C@@]1(C)C(C)C 306752831 345592450 /nfs/dbraw/zinc/59/24/50/345592450.db2.gz JASQNLUQDXYQKD-SNVBAGLBSA-N 1 2 184.283 1.153 10 0 ADAELO CNc1nc(C[NH+]2CCC2)cs1 306756191 345593565 /nfs/dbraw/zinc/59/35/65/345593565.db2.gz LUAIKDZHFHZPJD-UHFFFAOYSA-N 1 2 183.280 1.391 10 0 ADAELO c1[nH]cc(N[C@@H]2CCCOCC2)[nH+]1 306759899 345596019 /nfs/dbraw/zinc/59/60/19/345596019.db2.gz QAPKNTSLWYHPPT-MRVPVSSYSA-N 1 2 181.239 1.391 10 0 ADAELO c1[nH]cc(N[C@H]2CCCOCC2)[nH+]1 306759901 345596106 /nfs/dbraw/zinc/59/61/06/345596106.db2.gz QAPKNTSLWYHPPT-QMMMGPOBSA-N 1 2 181.239 1.391 10 0 ADAELO CNc1ccc(-n2cccc2)c[nH+]1 306766556 345600969 /nfs/dbraw/zinc/60/09/69/345600969.db2.gz WULNROXTLJBZAI-UHFFFAOYSA-N 1 2 173.219 1.914 10 0 ADAELO Cc1cc(N2[C@@H](C)C[C@H]2C)nc[nH+]1 306766302 345601005 /nfs/dbraw/zinc/60/10/05/345601005.db2.gz WPSVFUVPOYTXLO-DTORHVGOSA-N 1 2 177.251 1.772 10 0 ADAELO Cc1cc(N2[C@@H](C)C[C@@H]2C)nc[nH+]1 306766304 345601109 /nfs/dbraw/zinc/60/11/09/345601109.db2.gz WPSVFUVPOYTXLO-IUCAKERBSA-N 1 2 177.251 1.772 10 0 ADAELO Cc1cc(N2[C@H](C)C[C@H]2C)nc[nH+]1 306766307 345601380 /nfs/dbraw/zinc/60/13/80/345601380.db2.gz WPSVFUVPOYTXLO-RKDXNWHRSA-N 1 2 177.251 1.772 10 0 ADAELO Cn1ccc([C@@H]2[NH2+]C(C)(C)CS2)n1 306769739 345603592 /nfs/dbraw/zinc/60/35/92/345603592.db2.gz AINUJPUDDGATMN-MRVPVSSYSA-N 1 2 197.307 1.534 10 0 ADAELO Cn1ccc([C@H]2[NH2+]C(C)(C)CS2)n1 306769740 345603652 /nfs/dbraw/zinc/60/36/52/345603652.db2.gz AINUJPUDDGATMN-QMMMGPOBSA-N 1 2 197.307 1.534 10 0 ADAELO CN1C(=O)C2(CCCC2)[NH2+]C1(C)C 306769713 345603696 /nfs/dbraw/zinc/60/36/96/345603696.db2.gz QMQSMKJEOASISI-UHFFFAOYSA-N 1 2 182.267 1.097 10 0 ADAELO Cc1[nH+]cc(-c2cnc(N)s2)n1C 306777864 345607999 /nfs/dbraw/zinc/60/79/99/345607999.db2.gz OWMOWHPTONJDOW-UHFFFAOYSA-N 1 2 194.263 1.434 10 0 ADAELO C[C@@H]1CC(NCC2CCCC2)=[NH+]O1 306780204 345609531 /nfs/dbraw/zinc/60/95/31/345609531.db2.gz BVJJULWYZQMBDD-MRVPVSSYSA-N 1 2 182.267 1.889 10 0 ADAELO C[C@H]1CC(NCC2CCCC2)=[NH+]O1 306780207 345609800 /nfs/dbraw/zinc/60/98/00/345609800.db2.gz BVJJULWYZQMBDD-QMMMGPOBSA-N 1 2 182.267 1.889 10 0 ADAELO Cc1c[nH+]cc(NC2CSC2)c1 306783148 345611330 /nfs/dbraw/zinc/61/13/30/345611330.db2.gz GDLIXRBYWCTYOM-UHFFFAOYSA-N 1 2 180.276 1.917 10 0 ADAELO C[C@H]1C[N@H+](Cc2ccon2)CCS1 306783876 345612041 /nfs/dbraw/zinc/61/20/41/345612041.db2.gz GZCHZULJTSYVCJ-QMMMGPOBSA-N 1 2 198.291 1.612 10 0 ADAELO C[C@H]1C[N@@H+](Cc2ccon2)CCS1 306783876 345612044 /nfs/dbraw/zinc/61/20/44/345612044.db2.gz GZCHZULJTSYVCJ-QMMMGPOBSA-N 1 2 198.291 1.612 10 0 ADAELO Cc1[nH+]cccc1NC1CSC1 306786228 345613532 /nfs/dbraw/zinc/61/35/32/345613532.db2.gz UWAINNOVCMLRLZ-UHFFFAOYSA-N 1 2 180.276 1.917 10 0 ADAELO Cc1nc([C@H]([NH3+])c2ccco2)co1 306787249 345614138 /nfs/dbraw/zinc/61/41/38/345614138.db2.gz MJEVVXZGWLLDGK-VIFPVBQESA-N 1 2 178.191 1.624 10 0 ADAELO CNC(=O)Nc1cc[nH+]c(C)c1C 306787259 345614229 /nfs/dbraw/zinc/61/42/29/345614229.db2.gz MNQNSVYOCVQVPQ-UHFFFAOYSA-N 1 2 179.223 1.450 10 0 ADAELO Cc1cnn(C)c1CNc1c[nH]c[nH+]1 306787181 345614295 /nfs/dbraw/zinc/61/42/95/345614295.db2.gz QFFIDGPHNRJHAN-UHFFFAOYSA-N 1 2 191.238 1.064 10 0 ADAELO Cc1nc([C@@H]([NH3+])c2ccco2)co1 306787248 345614439 /nfs/dbraw/zinc/61/44/39/345614439.db2.gz MJEVVXZGWLLDGK-SECBINFHSA-N 1 2 178.191 1.624 10 0 ADAELO Cc1cc(N2CCC(=O)C2)cc[nH+]1 306790994 345616768 /nfs/dbraw/zinc/61/67/68/345616768.db2.gz ZLRRDXBAMOEQNK-UHFFFAOYSA-N 1 2 176.219 1.169 10 0 ADAELO CC(C)C[C@@H]1C[C@H]1N1C(=O)C[NH2+][C@@H]1C 306794056 345619126 /nfs/dbraw/zinc/61/91/26/345619126.db2.gz FPCQXUOQQSNALD-IVZWLZJFSA-N 1 2 196.294 1.199 10 0 ADAELO CC(C)C[C@@H]1C[C@H]1N1C(=O)C[NH2+][C@H]1C 306794064 345619256 /nfs/dbraw/zinc/61/92/56/345619256.db2.gz FPCQXUOQQSNALD-OPRDCNLKSA-N 1 2 196.294 1.199 10 0 ADAELO CC(C)C[C@@H]1C[C@@H]1N1C(=O)C[NH2+][C@H]1C 306794048 345619364 /nfs/dbraw/zinc/61/93/64/345619364.db2.gz FPCQXUOQQSNALD-BBBLOLIVSA-N 1 2 196.294 1.199 10 0 ADAELO CC(C)C[C@@H]1C[C@@H]1N1C(=O)C[NH2+][C@@H]1C 306794040 345619446 /nfs/dbraw/zinc/61/94/46/345619446.db2.gz FPCQXUOQQSNALD-AEJSXWLSSA-N 1 2 196.294 1.199 10 0 ADAELO CSCC[N@@H+]1Cc2cccnc2C1 306794097 345619647 /nfs/dbraw/zinc/61/96/47/345619647.db2.gz HMVDGSDJYDEVCD-UHFFFAOYSA-N 1 2 194.303 1.760 10 0 ADAELO CSCC[N@H+]1Cc2cccnc2C1 306794097 345619649 /nfs/dbraw/zinc/61/96/49/345619649.db2.gz HMVDGSDJYDEVCD-UHFFFAOYSA-N 1 2 194.303 1.760 10 0 ADAELO CC(C)[N@@H+]1CC(=O)NC12CCCC2 306794845 345619811 /nfs/dbraw/zinc/61/98/11/345619811.db2.gz UFFXMVSKOYSKCU-UHFFFAOYSA-N 1 2 182.267 1.097 10 0 ADAELO CC(C)[N@H+]1CC(=O)NC12CCCC2 306794845 345619812 /nfs/dbraw/zinc/61/98/12/345619812.db2.gz UFFXMVSKOYSKCU-UHFFFAOYSA-N 1 2 182.267 1.097 10 0 ADAELO CC(C)[NH+]1CC(Nc2nncs2)C1 306794754 345619862 /nfs/dbraw/zinc/61/98/62/345619862.db2.gz TXTUJCQLWHMHLM-UHFFFAOYSA-N 1 2 198.295 1.043 10 0 ADAELO CCNc1nc[nH+]c2cc(C)[nH]c12 306794825 345619867 /nfs/dbraw/zinc/61/98/67/345619867.db2.gz UCGOZRXALJLWRT-UHFFFAOYSA-N 1 2 176.223 1.698 10 0 ADAELO O=C1CCC[N@@H+](CC2=CCCC2)C1 306795863 345620565 /nfs/dbraw/zinc/62/05/65/345620565.db2.gz JBCLRUKMJYTEFW-UHFFFAOYSA-N 1 2 179.263 1.762 10 0 ADAELO O=C1CCC[N@H+](CC2=CCCC2)C1 306795863 345620562 /nfs/dbraw/zinc/62/05/62/345620562.db2.gz JBCLRUKMJYTEFW-UHFFFAOYSA-N 1 2 179.263 1.762 10 0 ADAELO C[C@@H](O)CNc1cc(F)cc[nH+]1 306796405 345620653 /nfs/dbraw/zinc/62/06/53/345620653.db2.gz WHEKYULPJIMZOC-ZCFIWIBFSA-N 1 2 170.187 1.013 10 0 ADAELO C[C@H](O)CNc1cc(F)cc[nH+]1 306796404 345621171 /nfs/dbraw/zinc/62/11/71/345621171.db2.gz WHEKYULPJIMZOC-LURJTMIESA-N 1 2 170.187 1.013 10 0 ADAELO C[C@@H]1CS[C@H](c2cn(C)cn2)[NH2+]1 306798745 345622208 /nfs/dbraw/zinc/62/22/08/345622208.db2.gz DBMMUHHJHSVZRX-HTRCEHHLSA-N 1 2 183.280 1.144 10 0 ADAELO C[C@@H]1CS[C@@H](c2cn(C)cn2)[NH2+]1 306798747 345622227 /nfs/dbraw/zinc/62/22/27/345622227.db2.gz DBMMUHHJHSVZRX-SVRRBLITSA-N 1 2 183.280 1.144 10 0 ADAELO C[C@H]1CS[C@@H](c2cn(C)cn2)[NH2+]1 306798748 345622269 /nfs/dbraw/zinc/62/22/69/345622269.db2.gz DBMMUHHJHSVZRX-XPUUQOCRSA-N 1 2 183.280 1.144 10 0 ADAELO C[C@H]1CS[C@H](c2cn(C)cn2)[NH2+]1 306798746 345622302 /nfs/dbraw/zinc/62/23/02/345622302.db2.gz DBMMUHHJHSVZRX-POYBYMJQSA-N 1 2 183.280 1.144 10 0 ADAELO Cc1nc(C2(F)C[NH2+]C2)cs1 306800742 345623161 /nfs/dbraw/zinc/62/31/61/345623161.db2.gz PDGAJJRZVMTZOM-UHFFFAOYSA-N 1 2 172.228 1.220 10 0 ADAELO CN(c1cc(N)nc[nH+]1)C(C)(C)C 306801296 345624172 /nfs/dbraw/zinc/62/41/72/345624172.db2.gz QVWKYFMGJSBXNT-UHFFFAOYSA-N 1 2 180.255 1.294 10 0 ADAELO Cn1cnc([C@H]([NH3+])C(C)(F)F)c1 306804795 345625654 /nfs/dbraw/zinc/62/56/54/345625654.db2.gz YSYHSRFLLFDWFB-LURJTMIESA-N 1 2 175.182 1.075 10 0 ADAELO Cn1cnc([C@@H]([NH3+])C(C)(F)F)c1 306804796 345625679 /nfs/dbraw/zinc/62/56/79/345625679.db2.gz YSYHSRFLLFDWFB-ZCFIWIBFSA-N 1 2 175.182 1.075 10 0 ADAELO C[NH2+][C@H](c1nnc[nH]1)c1cocc1C 306807555 345627294 /nfs/dbraw/zinc/62/72/94/345627294.db2.gz MQMLZNBLITVZBT-QMMMGPOBSA-N 1 2 192.222 1.015 10 0 ADAELO C[NH2+][C@@H](c1nnc[nH]1)c1cocc1C 306807554 345627467 /nfs/dbraw/zinc/62/74/67/345627467.db2.gz MQMLZNBLITVZBT-MRVPVSSYSA-N 1 2 192.222 1.015 10 0 ADAELO CC(C)CC[NH2+]OC(C)C 306808182 345627621 /nfs/dbraw/zinc/62/76/21/345627621.db2.gz ODHBXVWMTLWDFB-UHFFFAOYSA-N 1 2 145.246 1.962 10 0 ADAELO CCc1csc(NC2C[NH+](C)C2)n1 306809146 345628421 /nfs/dbraw/zinc/62/84/21/345628421.db2.gz REGHHRYCHGIJDQ-UHFFFAOYSA-N 1 2 197.307 1.431 10 0 ADAELO CC(C)C[C@@H]1C[C@@H]1[N@@H+]1CCC(=O)C1 306810857 345629519 /nfs/dbraw/zinc/62/95/19/345629519.db2.gz VKYZSVLEINIGKP-KOLCDFICSA-N 1 2 181.279 1.696 10 0 ADAELO CC(C)C[C@@H]1C[C@@H]1[N@H+]1CCC(=O)C1 306810857 345629522 /nfs/dbraw/zinc/62/95/22/345629522.db2.gz VKYZSVLEINIGKP-KOLCDFICSA-N 1 2 181.279 1.696 10 0 ADAELO CC(C)C[C@@H]1C[C@H]1[N@@H+]1CCC(=O)C1 306810858 345629674 /nfs/dbraw/zinc/62/96/74/345629674.db2.gz VKYZSVLEINIGKP-MWLCHTKSSA-N 1 2 181.279 1.696 10 0 ADAELO CC(C)C[C@@H]1C[C@H]1[N@H+]1CCC(=O)C1 306810858 345629678 /nfs/dbraw/zinc/62/96/78/345629678.db2.gz VKYZSVLEINIGKP-MWLCHTKSSA-N 1 2 181.279 1.696 10 0 ADAELO CC(C)C[C@H]1C[C@H]1[N@@H+]1CCC(=O)C1 306810856 345629697 /nfs/dbraw/zinc/62/96/97/345629697.db2.gz VKYZSVLEINIGKP-GXSJLCMTSA-N 1 2 181.279 1.696 10 0 ADAELO CC(C)C[C@H]1C[C@H]1[N@H+]1CCC(=O)C1 306810856 345629700 /nfs/dbraw/zinc/62/97/00/345629700.db2.gz VKYZSVLEINIGKP-GXSJLCMTSA-N 1 2 181.279 1.696 10 0 ADAELO CC(C)C[C@H]1C[C@@H]1[N@@H+]1CCC(=O)C1 306810859 345629749 /nfs/dbraw/zinc/62/97/49/345629749.db2.gz VKYZSVLEINIGKP-ONGXEEELSA-N 1 2 181.279 1.696 10 0 ADAELO CC(C)C[C@H]1C[C@@H]1[N@H+]1CCC(=O)C1 306810859 345629751 /nfs/dbraw/zinc/62/97/51/345629751.db2.gz VKYZSVLEINIGKP-ONGXEEELSA-N 1 2 181.279 1.696 10 0 ADAELO CCn1cc[nH+]c1[C@@H]1C[C@H]1C(C)=O 306811902 345630186 /nfs/dbraw/zinc/63/01/86/345630186.db2.gz XUJLGPNRUIGWJF-DTWKUNHWSA-N 1 2 178.235 1.596 10 0 ADAELO CCn1cc[nH+]c1[C@H]1C[C@H]1C(C)=O 306811903 345630340 /nfs/dbraw/zinc/63/03/40/345630340.db2.gz XUJLGPNRUIGWJF-IUCAKERBSA-N 1 2 178.235 1.596 10 0 ADAELO CCn1cc[nH+]c1[C@H]1C[C@@H]1C(C)=O 306811901 345630441 /nfs/dbraw/zinc/63/04/41/345630441.db2.gz XUJLGPNRUIGWJF-BDAKNGLRSA-N 1 2 178.235 1.596 10 0 ADAELO CCn1cc[nH+]c1[C@@H]1C[C@@H]1C(C)=O 306811904 345630891 /nfs/dbraw/zinc/63/08/91/345630891.db2.gz XUJLGPNRUIGWJF-RKDXNWHRSA-N 1 2 178.235 1.596 10 0 ADAELO O=C1CC[NH+](C/C=C/C2CC2)CC1 306812599 345631072 /nfs/dbraw/zinc/63/10/72/345631072.db2.gz ZPGKHOOUKGHDDF-OWOJBTEDSA-N 1 2 179.263 1.618 10 0 ADAELO CN(C)Nc1cnc(Cl)c[nH+]1 306814302 345631902 /nfs/dbraw/zinc/63/19/02/345631902.db2.gz AUDSVUMFADQCTQ-UHFFFAOYSA-N 1 2 172.619 1.019 10 0 ADAELO Cc1[nH+]cc(-c2cccnc2N)n1C 306819682 345634850 /nfs/dbraw/zinc/63/48/50/345634850.db2.gz HJSFHOUCKSIMLJ-UHFFFAOYSA-N 1 2 188.234 1.373 10 0 ADAELO Nc1cc[nH+]c(C(C2CC2)C2CC2)n1 306823585 345638205 /nfs/dbraw/zinc/63/82/05/345638205.db2.gz QPFGFXYBGDCZSB-UHFFFAOYSA-N 1 2 189.262 1.962 10 0 ADAELO C[NH2+][C@H](c1ccoc1)c1coc(C)n1 306824331 345638783 /nfs/dbraw/zinc/63/87/83/345638783.db2.gz TURJQKQOMDZSGD-SNVBAGLBSA-N 1 2 192.218 1.885 10 0 ADAELO C[NH2+][C@@H](c1ccoc1)c1coc(C)n1 306824330 345638798 /nfs/dbraw/zinc/63/87/98/345638798.db2.gz TURJQKQOMDZSGD-JTQLQIEISA-N 1 2 192.218 1.885 10 0 ADAELO CCn1c[nH+]c([C@@H]2CC[C@@H](O)[C@@H]2C)c1 306824904 345639286 /nfs/dbraw/zinc/63/92/86/345639286.db2.gz VNKXVCNXSUILFS-FXPVBKGRSA-N 1 2 194.278 1.777 10 0 ADAELO CCn1c[nH+]c([C@@H]2CC[C@H](O)[C@@H]2C)c1 306824906 345639320 /nfs/dbraw/zinc/63/93/20/345639320.db2.gz VNKXVCNXSUILFS-KKZNHRDASA-N 1 2 194.278 1.777 10 0 ADAELO CCn1c[nH+]c([C@@H]2CC[C@@H](O)[C@H]2C)c1 306824905 345639347 /nfs/dbraw/zinc/63/93/47/345639347.db2.gz VNKXVCNXSUILFS-IQJOONFLSA-N 1 2 194.278 1.777 10 0 ADAELO CCn1c[nH+]c([C@@H]2CC[C@H](O)[C@H]2C)c1 306824907 345639562 /nfs/dbraw/zinc/63/95/62/345639562.db2.gz VNKXVCNXSUILFS-NGZCFLSTSA-N 1 2 194.278 1.777 10 0 ADAELO CC1=CC[N@H+](Cc2ccon2)CC1 306826691 345641377 /nfs/dbraw/zinc/64/13/77/345641377.db2.gz ALAIPXRLXYPBAK-UHFFFAOYSA-N 1 2 178.235 1.827 10 0 ADAELO CC1=CC[N@@H+](Cc2ccon2)CC1 306826691 345641379 /nfs/dbraw/zinc/64/13/79/345641379.db2.gz ALAIPXRLXYPBAK-UHFFFAOYSA-N 1 2 178.235 1.827 10 0 ADAELO C[C@H]([NH2+][C@H]1CC[C@@H]2C[C@H]12)c1ncn[nH]1 306827192 345641833 /nfs/dbraw/zinc/64/18/33/345641833.db2.gz GRELSJZBABWKOY-KZVJFYERSA-N 1 2 192.266 1.254 10 0 ADAELO C[C@@H]([NH2+][C@H]1CC[C@@H]2C[C@H]12)c1ncn[nH]1 306827191 345641901 /nfs/dbraw/zinc/64/19/01/345641901.db2.gz GRELSJZBABWKOY-HXFLIBJXSA-N 1 2 192.266 1.254 10 0 ADAELO C[C@@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]21)c1ncn[nH]1 306827193 345642059 /nfs/dbraw/zinc/64/20/59/345642059.db2.gz GRELSJZBABWKOY-LURQLKTLSA-N 1 2 192.266 1.254 10 0 ADAELO CC1(C2([N@@H+]3CCC(=O)C3)CC2)CC1 306828260 345642705 /nfs/dbraw/zinc/64/27/05/345642705.db2.gz FNRORCYDPAILNX-UHFFFAOYSA-N 1 2 179.263 1.594 10 0 ADAELO CC1(C2([N@H+]3CCC(=O)C3)CC2)CC1 306828260 345642706 /nfs/dbraw/zinc/64/27/06/345642706.db2.gz FNRORCYDPAILNX-UHFFFAOYSA-N 1 2 179.263 1.594 10 0 ADAELO Cc1cnn(C)c1[C@@H]1[NH2+]CCCS1 306835147 345646822 /nfs/dbraw/zinc/64/68/22/345646822.db2.gz SEMDFBZEDMMEIN-SECBINFHSA-N 1 2 197.307 1.454 10 0 ADAELO Cc1cnn(C)c1[C@H]1[NH2+]CCCS1 306835148 345646911 /nfs/dbraw/zinc/64/69/11/345646911.db2.gz SEMDFBZEDMMEIN-VIFPVBQESA-N 1 2 197.307 1.454 10 0 ADAELO C[C@@H]1C[NH2+][C@H](c2cncnc2)SC1 306836717 345647418 /nfs/dbraw/zinc/64/74/18/345647418.db2.gz VACWMILYGNLTGV-APPZFPTMSA-N 1 2 195.291 1.448 10 0 ADAELO C[C@H]1C[NH2+][C@@H](c2cncnc2)SC1 306836731 345647490 /nfs/dbraw/zinc/64/74/90/345647490.db2.gz VACWMILYGNLTGV-IONNQARKSA-N 1 2 195.291 1.448 10 0 ADAELO C[C@@H]1C[NH2+][C@@H](c2cncnc2)SC1 306836738 345647561 /nfs/dbraw/zinc/64/75/61/345647561.db2.gz VACWMILYGNLTGV-VXNVDRBHSA-N 1 2 195.291 1.448 10 0 ADAELO C[C@H]1C[NH2+][C@H](c2cncnc2)SC1 306836725 345647837 /nfs/dbraw/zinc/64/78/37/345647837.db2.gz VACWMILYGNLTGV-CBAPKCEASA-N 1 2 195.291 1.448 10 0 ADAELO C[C@H](c1ccc[nH]1)[NH+]1CCOCC1 306838204 345648585 /nfs/dbraw/zinc/64/85/85/345648585.db2.gz WVALCTXCCAEVFY-SECBINFHSA-N 1 2 180.251 1.408 10 0 ADAELO C[C@@H](c1ccc[nH]1)[NH+]1CCOCC1 306838205 345648604 /nfs/dbraw/zinc/64/86/04/345648604.db2.gz WVALCTXCCAEVFY-VIFPVBQESA-N 1 2 180.251 1.408 10 0 ADAELO C/C=C/C[NH2+]c1ccc(N)c(N)c1 306840616 345650330 /nfs/dbraw/zinc/65/03/30/345650330.db2.gz ZZNROZTVLJYVAM-NSCUHMNNSA-N 1 2 177.251 1.839 10 0 ADAELO Cc1cnc(CCn2cc[nH+]c2)s1 306842239 345651209 /nfs/dbraw/zinc/65/12/09/345651209.db2.gz BQOTWOZBGZNGGC-UHFFFAOYSA-N 1 2 193.275 1.891 10 0 ADAELO O=C1CC[N@@H+](CC2CC(F)(F)C2)C1 306844764 345653047 /nfs/dbraw/zinc/65/30/47/345653047.db2.gz HRZRWALMFRNURM-UHFFFAOYSA-N 1 2 189.205 1.307 10 0 ADAELO O=C1CC[N@H+](CC2CC(F)(F)C2)C1 306844764 345653049 /nfs/dbraw/zinc/65/30/49/345653049.db2.gz HRZRWALMFRNURM-UHFFFAOYSA-N 1 2 189.205 1.307 10 0 ADAELO C[C@H]1CC(C)(C)c2cnc(NN)[nH+]c21 306846584 345654106 /nfs/dbraw/zinc/65/41/06/345654106.db2.gz KDMBUSXLTAKVPN-LURJTMIESA-N 1 2 192.266 1.547 10 0 ADAELO C[C@@H]1CC(C)(C)c2cnc(NN)[nH+]c21 306846585 345654313 /nfs/dbraw/zinc/65/43/13/345654313.db2.gz KDMBUSXLTAKVPN-ZCFIWIBFSA-N 1 2 192.266 1.547 10 0 ADAELO C[C@@H]1C[NH2+][C@H](c2ccn(C)n2)S1 306849124 345656055 /nfs/dbraw/zinc/65/60/55/345656055.db2.gz NIPTWBREIFZHBJ-SVRRBLITSA-N 1 2 183.280 1.144 10 0 ADAELO C[C@H]1C[NH2+][C@@H](c2ccn(C)n2)S1 306849123 345656196 /nfs/dbraw/zinc/65/61/96/345656196.db2.gz NIPTWBREIFZHBJ-POYBYMJQSA-N 1 2 183.280 1.144 10 0 ADAELO C[C@@H]1C[NH2+][C@@H](c2ccn(C)n2)S1 306849122 345656206 /nfs/dbraw/zinc/65/62/06/345656206.db2.gz NIPTWBREIFZHBJ-HTRCEHHLSA-N 1 2 183.280 1.144 10 0 ADAELO Cc1ncsc1CNc1c[nH]c[nH+]1 306849303 345656290 /nfs/dbraw/zinc/65/62/90/345656290.db2.gz NPBKUBPUKCCBAJ-UHFFFAOYSA-N 1 2 194.263 1.787 10 0 ADAELO CC1(C)C[C@H]1c1ccnc(NN)[nH+]1 306850269 345656529 /nfs/dbraw/zinc/65/65/29/345656529.db2.gz OOZWXYCASYCOAC-LURJTMIESA-N 1 2 178.239 1.276 10 0 ADAELO Cc1[nH]c[nH+]c1Cn1cccc1 306849960 345656606 /nfs/dbraw/zinc/65/66/06/345656606.db2.gz OOESRWWYSKRGQX-UHFFFAOYSA-N 1 2 161.208 1.568 10 0 ADAELO Cc1[nH+]c[nH]c1Cn1cccc1 306849960 345656609 /nfs/dbraw/zinc/65/66/09/345656609.db2.gz OOESRWWYSKRGQX-UHFFFAOYSA-N 1 2 161.208 1.568 10 0 ADAELO CC1(C)C[C@@H]1c1ccnc(NN)[nH+]1 306850271 345656939 /nfs/dbraw/zinc/65/69/39/345656939.db2.gz OOZWXYCASYCOAC-ZCFIWIBFSA-N 1 2 178.239 1.276 10 0 ADAELO Cc1ncncc1-c1[nH]cc[nH+]1 306854416 345659012 /nfs/dbraw/zinc/65/90/12/345659012.db2.gz VGRATDHSABGGMQ-UHFFFAOYSA-N 1 2 160.180 1.175 10 0 ADAELO FCC[NH2+][C@@H]1CCCC1(F)F 306854994 345659487 /nfs/dbraw/zinc/65/94/87/345659487.db2.gz VVOWIBRHPYDFDZ-ZCFIWIBFSA-N 1 2 167.174 1.733 10 0 ADAELO FCC[NH2+][C@H]1CCCC1(F)F 306854993 345659844 /nfs/dbraw/zinc/65/98/44/345659844.db2.gz VVOWIBRHPYDFDZ-LURJTMIESA-N 1 2 167.174 1.733 10 0 ADAELO Nc1cc[nH+]c(-c2ccns2)c1 306856193 345660380 /nfs/dbraw/zinc/66/03/80/345660380.db2.gz XPHCNMNXJMZRHS-UHFFFAOYSA-N 1 2 177.232 1.787 10 0 ADAELO Oc1cccc(Cl)c1C1=[NH+]CCN1 306856960 345661024 /nfs/dbraw/zinc/66/10/24/345661024.db2.gz YZGGPLRAAJUDAC-UHFFFAOYSA-N 1 2 196.637 1.395 10 0 ADAELO CC[C@@H](O)[C@H](C)Nc1c[nH+]cc(N)c1 306859105 345662204 /nfs/dbraw/zinc/66/22/04/345662204.db2.gz CSUFGBPXROXBAG-OIBJUYFYSA-N 1 2 195.266 1.235 10 0 ADAELO CC[C@@H](O)[C@@H](C)Nc1c[nH+]cc(N)c1 306859093 345662409 /nfs/dbraw/zinc/66/24/09/345662409.db2.gz CSUFGBPXROXBAG-GMSGAONNSA-N 1 2 195.266 1.235 10 0 ADAELO CC[C@H](O)[C@H](C)Nc1c[nH+]cc(N)c1 306859115 345662893 /nfs/dbraw/zinc/66/28/93/345662893.db2.gz CSUFGBPXROXBAG-XVKPBYJWSA-N 1 2 195.266 1.235 10 0 ADAELO CC[C@H](O)[C@@H](C)Nc1c[nH+]cc(N)c1 306859110 345663004 /nfs/dbraw/zinc/66/30/04/345663004.db2.gz CSUFGBPXROXBAG-XCBNKYQSSA-N 1 2 195.266 1.235 10 0 ADAELO [NH3+][C@]1(C(F)(F)F)CC[C@@H]2C[C@@H]21 306860034 345663317 /nfs/dbraw/zinc/66/33/17/345663317.db2.gz DIIJBYQVBWMUKN-NGJCXOISSA-N 1 2 165.158 1.676 10 0 ADAELO [NH3+][C@]1(C(F)(F)F)CC[C@H]2C[C@H]21 306860033 345663562 /nfs/dbraw/zinc/66/35/62/345663562.db2.gz DIIJBYQVBWMUKN-KVQBGUIXSA-N 1 2 165.158 1.676 10 0 ADAELO Fc1cc[nH+]c(N2CCCC2)c1 306861577 345664777 /nfs/dbraw/zinc/66/47/77/345664777.db2.gz FNXWRJLELRVUJC-UHFFFAOYSA-N 1 2 166.199 1.821 10 0 ADAELO Cc1cc(NC(C)(C)C)nc[nH+]1 306861218 345664803 /nfs/dbraw/zinc/66/48/03/345664803.db2.gz FYWXPZSKTMHUDS-UHFFFAOYSA-N 1 2 165.240 1.995 10 0 ADAELO O=C1CC[N@@H+]([C@H]2CCC(F)(F)C2)C1 306863951 345666251 /nfs/dbraw/zinc/66/62/51/345666251.db2.gz JMGUYIQXWRJYLE-ZETCQYMHSA-N 1 2 189.205 1.449 10 0 ADAELO O=C1CC[N@H+]([C@H]2CCC(F)(F)C2)C1 306863951 345666254 /nfs/dbraw/zinc/66/62/54/345666254.db2.gz JMGUYIQXWRJYLE-ZETCQYMHSA-N 1 2 189.205 1.449 10 0 ADAELO O=C1CC[N@@H+]([C@@H]2CCC(F)(F)C2)C1 306863949 345666437 /nfs/dbraw/zinc/66/64/37/345666437.db2.gz JMGUYIQXWRJYLE-SSDOTTSWSA-N 1 2 189.205 1.449 10 0 ADAELO O=C1CC[N@H+]([C@@H]2CCC(F)(F)C2)C1 306863949 345666441 /nfs/dbraw/zinc/66/64/41/345666441.db2.gz JMGUYIQXWRJYLE-SSDOTTSWSA-N 1 2 189.205 1.449 10 0 ADAELO [NH3+][C@H](c1ccns1)c1cnns1 306864867 345667033 /nfs/dbraw/zinc/66/70/33/345667033.db2.gz LTXYNCIEFKDOFF-ZCFIWIBFSA-N 1 2 198.276 1.043 10 0 ADAELO [NH3+][C@H](c1cscn1)c1ccsn1 306866288 345667753 /nfs/dbraw/zinc/66/77/53/345667753.db2.gz NKSRPUSEBDCVBG-ZETCQYMHSA-N 1 2 197.288 1.648 10 0 ADAELO [NH3+][C@@H](c1cscn1)c1ccsn1 306866286 345668125 /nfs/dbraw/zinc/66/81/25/345668125.db2.gz NKSRPUSEBDCVBG-SSDOTTSWSA-N 1 2 197.288 1.648 10 0 ADAELO C[C@@H]1COCC[N@H+](CC(F)F)C1 306875745 345673293 /nfs/dbraw/zinc/67/32/93/345673293.db2.gz HDPDREINFQMETE-ZETCQYMHSA-N 1 2 179.210 1.220 10 0 ADAELO C[C@H]1COCC[N@H+](CC(F)F)C1 306875743 345673228 /nfs/dbraw/zinc/67/32/28/345673228.db2.gz HDPDREINFQMETE-SSDOTTSWSA-N 1 2 179.210 1.220 10 0 ADAELO C[C@H]1COCC[N@@H+](CC(F)F)C1 306875743 345673231 /nfs/dbraw/zinc/67/32/31/345673231.db2.gz HDPDREINFQMETE-SSDOTTSWSA-N 1 2 179.210 1.220 10 0 ADAELO C[C@@H]1COCC[N@@H+](CC(F)F)C1 306875745 345673295 /nfs/dbraw/zinc/67/32/95/345673295.db2.gz HDPDREINFQMETE-ZETCQYMHSA-N 1 2 179.210 1.220 10 0 ADAELO Nc1csc(CCn2cc[nH+]c2)n1 306882736 345679552 /nfs/dbraw/zinc/67/95/52/345679552.db2.gz NQWVHBKLPJBEGQ-UHFFFAOYSA-N 1 2 194.263 1.165 10 0 ADAELO C[C@H](Nc1ccc(N)[nH+]c1)C(F)F 306885390 345681869 /nfs/dbraw/zinc/68/18/69/345681869.db2.gz RICCIPYWDKAYRP-YFKPBYRVSA-N 1 2 187.193 1.729 10 0 ADAELO C[C@@H](Nc1ccc(N)[nH+]c1)C(F)F 306885389 345681939 /nfs/dbraw/zinc/68/19/39/345681939.db2.gz RICCIPYWDKAYRP-RXMQYKEDSA-N 1 2 187.193 1.729 10 0 ADAELO Cc1nc(C[NH2+]C2COC2)c(C)s1 306886873 345683215 /nfs/dbraw/zinc/68/32/15/345683215.db2.gz TXAPXNULPSGBPW-UHFFFAOYSA-N 1 2 198.291 1.248 10 0 ADAELO c1csc(CC[NH+]2CCOCC2)n1 306888401 345684866 /nfs/dbraw/zinc/68/48/66/345684866.db2.gz WAJYSAZRVRVLBA-UHFFFAOYSA-N 1 2 198.291 1.018 10 0 ADAELO O=C1CC[N@@H+]([C@H]2CC23CCCC3)C1 306890101 345686585 /nfs/dbraw/zinc/68/65/85/345686585.db2.gz YJYFDEAFOMWVFA-JTQLQIEISA-N 1 2 179.263 1.594 10 0 ADAELO O=C1CC[N@H+]([C@H]2CC23CCCC3)C1 306890101 345686588 /nfs/dbraw/zinc/68/65/88/345686588.db2.gz YJYFDEAFOMWVFA-JTQLQIEISA-N 1 2 179.263 1.594 10 0 ADAELO O=C1CC[N@@H+]([C@@H]2CC23CCCC3)C1 306890102 345686829 /nfs/dbraw/zinc/68/68/29/345686829.db2.gz YJYFDEAFOMWVFA-SNVBAGLBSA-N 1 2 179.263 1.594 10 0 ADAELO O=C1CC[N@H+]([C@@H]2CC23CCCC3)C1 306890102 345686831 /nfs/dbraw/zinc/68/68/31/345686831.db2.gz YJYFDEAFOMWVFA-SNVBAGLBSA-N 1 2 179.263 1.594 10 0 ADAELO [NH3+][C@H](c1cscn1)c1ccns1 306893506 345688592 /nfs/dbraw/zinc/68/85/92/345688592.db2.gz JPLSSKMJJQBQKQ-SSDOTTSWSA-N 1 2 197.288 1.648 10 0 ADAELO [NH3+][C@@H](c1cscn1)c1ccns1 306893508 345688681 /nfs/dbraw/zinc/68/86/81/345688681.db2.gz JPLSSKMJJQBQKQ-ZETCQYMHSA-N 1 2 197.288 1.648 10 0 ADAELO CNc1[nH+]cc(N)cc1C(F)(F)F 306896437 345689774 /nfs/dbraw/zinc/68/97/74/345689774.db2.gz PTKZRAQPECYUIR-UHFFFAOYSA-N 1 2 191.156 1.724 10 0 ADAELO [NH3+][C@@H](c1ccns1)C(F)F 306900273 345691523 /nfs/dbraw/zinc/69/15/23/345691523.db2.gz FHLAJWAPTKGKEC-BYPYZUCNSA-N 1 2 164.180 1.408 10 0 ADAELO [NH3+][C@H](c1ccns1)C(F)F 306900274 345691596 /nfs/dbraw/zinc/69/15/96/345691596.db2.gz FHLAJWAPTKGKEC-SCSAIBSYSA-N 1 2 164.180 1.408 10 0 ADAELO C[C@H](NC1=[NH+]CCS1)C(F)(F)F 306903001 345692522 /nfs/dbraw/zinc/69/25/22/345692522.db2.gz ROBOWZSZUTYFIX-BYPYZUCNSA-N 1 2 198.213 1.630 10 0 ADAELO C[C@@H](NC1=[NH+]CCS1)C(F)(F)F 306903002 345692543 /nfs/dbraw/zinc/69/25/43/345692543.db2.gz ROBOWZSZUTYFIX-SCSAIBSYSA-N 1 2 198.213 1.630 10 0 ADAELO Cc1nc(C(=[NH2+])NC(C)(C)C)co1 306915611 345696980 /nfs/dbraw/zinc/69/69/80/345696980.db2.gz WAAANDVAGBTAQQ-UHFFFAOYSA-N 1 2 181.239 1.696 10 0 ADAELO [NH3+][C@H](c1ccsn1)c1cnns1 306921888 345699677 /nfs/dbraw/zinc/69/96/77/345699677.db2.gz SJNHRTQCHKBIFB-ZCFIWIBFSA-N 1 2 198.276 1.043 10 0 ADAELO [NH3+][C@@H](c1ccsn1)c1cnns1 306921887 345699689 /nfs/dbraw/zinc/69/96/89/345699689.db2.gz SJNHRTQCHKBIFB-LURJTMIESA-N 1 2 198.276 1.043 10 0 ADAELO COc1c(N)nc(C(C)C)[nH+]c1C 306923456 345700048 /nfs/dbraw/zinc/70/00/48/345700048.db2.gz AFAFNDPMDBMNHX-UHFFFAOYSA-N 1 2 181.239 1.499 10 0 ADAELO Cc1conc1NCc1[nH]cc[nH+]1 306925796 345701848 /nfs/dbraw/zinc/70/18/48/345701848.db2.gz NNWPMGDGRJPORR-UHFFFAOYSA-N 1 2 178.195 1.318 10 0 ADAELO Nc1cccc2c1C[N@H+](CCF)C2 306946940 345712666 /nfs/dbraw/zinc/71/26/66/345712666.db2.gz OARBUXUSBKZOLU-UHFFFAOYSA-N 1 2 180.226 1.554 10 0 ADAELO Nc1cccc2c1C[N@@H+](CCF)C2 306946940 345712669 /nfs/dbraw/zinc/71/26/69/345712669.db2.gz OARBUXUSBKZOLU-UHFFFAOYSA-N 1 2 180.226 1.554 10 0 ADAELO CNc1ccc(C(N)=S)c(C)[nH+]1 306953637 345716756 /nfs/dbraw/zinc/71/67/56/345716756.db2.gz IJBDSBMTJXIYRF-UHFFFAOYSA-N 1 2 181.264 1.066 10 0 ADAELO FC1(CNc2cccc[nH+]2)CC1 306963605 345722372 /nfs/dbraw/zinc/72/23/72/345722372.db2.gz HZUCUHLWAHKOMM-UHFFFAOYSA-N 1 2 166.199 1.996 10 0 ADAELO CC(C)N1C(=O)C[NH2+][C@@]1(C)C(C)C 306968066 345724761 /nfs/dbraw/zinc/72/47/61/345724761.db2.gz QMQVSBJFABMYSY-SNVBAGLBSA-N 1 2 184.283 1.199 10 0 ADAELO Cc1cc(N2CC(C)C2)nc[nH+]1 306968848 345724812 /nfs/dbraw/zinc/72/48/12/345724812.db2.gz RFGWWCKZAUSVMV-UHFFFAOYSA-N 1 2 163.224 1.241 10 0 ADAELO CNc1ccc(N2CC(C)C2)c[nH+]1 306974878 345728438 /nfs/dbraw/zinc/72/84/38/345728438.db2.gz YRCUNXIQHPQAKG-UHFFFAOYSA-N 1 2 177.251 1.579 10 0 ADAELO C1=CC[N@H+](Cc2ncc[nH]2)CC1 306978271 345730809 /nfs/dbraw/zinc/73/08/09/345730809.db2.gz BHMHDCPMDSPURU-UHFFFAOYSA-N 1 2 163.224 1.172 10 0 ADAELO C1=CC[N@@H+](Cc2ncc[nH]2)CC1 306978271 345730812 /nfs/dbraw/zinc/73/08/12/345730812.db2.gz BHMHDCPMDSPURU-UHFFFAOYSA-N 1 2 163.224 1.172 10 0 ADAELO C[C@@H]1[NH2+]CN([C@@H]2CC23CCCC3)C1=O 306979004 345731087 /nfs/dbraw/zinc/73/10/87/345731087.db2.gz BHPSOAXLBXZOND-DTWKUNHWSA-N 1 2 194.278 1.097 10 0 ADAELO C[C@H]1[NH2+]CN([C@H]2CC23CCCC3)C1=O 306979003 345731313 /nfs/dbraw/zinc/73/13/13/345731313.db2.gz BHPSOAXLBXZOND-BDAKNGLRSA-N 1 2 194.278 1.097 10 0 ADAELO C[C@H]1[NH2+]CN([C@@H]2CC23CCCC3)C1=O 306979006 345731325 /nfs/dbraw/zinc/73/13/25/345731325.db2.gz BHPSOAXLBXZOND-RKDXNWHRSA-N 1 2 194.278 1.097 10 0 ADAELO C[C@@H]1[NH2+]CN([C@H]2CC23CCCC3)C1=O 306979005 345731355 /nfs/dbraw/zinc/73/13/55/345731355.db2.gz BHPSOAXLBXZOND-IUCAKERBSA-N 1 2 194.278 1.097 10 0 ADAELO [NH3+][C@@H](c1ccco1)c1ccns1 306981431 345732437 /nfs/dbraw/zinc/73/24/37/345732437.db2.gz HTLXAHRPYAEDFV-QMMMGPOBSA-N 1 2 180.232 1.784 10 0 ADAELO [NH3+][C@H](c1ccco1)c1ccns1 306981430 345732541 /nfs/dbraw/zinc/73/25/41/345732541.db2.gz HTLXAHRPYAEDFV-MRVPVSSYSA-N 1 2 180.232 1.784 10 0 ADAELO C[C@H]1C[NH2+][C@H](c2ccn(C)n2)SC1 306983492 345733302 /nfs/dbraw/zinc/73/33/02/345733302.db2.gz SXNBUMYYGCZILM-CBAPKCEASA-N 1 2 197.307 1.391 10 0 ADAELO C[C@@H]1C[NH2+][C@@H](c2ccn(C)n2)SC1 306983494 345733388 /nfs/dbraw/zinc/73/33/88/345733388.db2.gz SXNBUMYYGCZILM-VXNVDRBHSA-N 1 2 197.307 1.391 10 0 ADAELO Cc1cc(C)n(Cc2[nH]cc[nH+]2)n1 306982620 345733444 /nfs/dbraw/zinc/73/34/44/345733444.db2.gz 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307002485 345744813 /nfs/dbraw/zinc/74/48/13/345744813.db2.gz CDYDFDNTKHAMRR-ZCFIWIBFSA-N 1 2 186.305 1.787 10 0 ADAELO Cc1cnc([C@H]2[NH2+]CCS2)s1 307002484 345744853 /nfs/dbraw/zinc/74/48/53/345744853.db2.gz CDYDFDNTKHAMRR-LURJTMIESA-N 1 2 186.305 1.787 10 0 ADAELO CC(C)(CO)Sc1ccc(N)[nH+]c1 307004172 345746187 /nfs/dbraw/zinc/74/61/87/345746187.db2.gz CLIFXEMFDSRGQO-UHFFFAOYSA-N 1 2 198.291 1.527 10 0 ADAELO C[C@H]1SCC[C@H]1[N@@H+]1CCC(=O)C1 307007494 345748303 /nfs/dbraw/zinc/74/83/03/345748303.db2.gz GQWFYWYKJUNLPF-VXNVDRBHSA-N 1 2 185.292 1.155 10 0 ADAELO C[C@H]1SCC[C@H]1[N@H+]1CCC(=O)C1 307007494 345748306 /nfs/dbraw/zinc/74/83/06/345748306.db2.gz GQWFYWYKJUNLPF-VXNVDRBHSA-N 1 2 185.292 1.155 10 0 ADAELO C[C@@H]1SCC[C@H]1[N@@H+]1CCC(=O)C1 307007491 345748333 /nfs/dbraw/zinc/74/83/33/345748333.db2.gz GQWFYWYKJUNLPF-IONNQARKSA-N 1 2 185.292 1.155 10 0 ADAELO C[C@@H]1SCC[C@H]1[N@H+]1CCC(=O)C1 307007491 345748337 /nfs/dbraw/zinc/74/83/37/345748337.db2.gz GQWFYWYKJUNLPF-IONNQARKSA-N 1 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C[C@H]([NH2+]C1CSC1)C(C)(F)F 307186352 345874190 /nfs/dbraw/zinc/87/41/90/345874190.db2.gz ULVJTNSCOHZNJS-YFKPBYRVSA-N 1 2 181.251 1.735 10 0 ADAELO C[C@@H]([NH2+]C1CSC1)C(C)(F)F 307186351 345874385 /nfs/dbraw/zinc/87/43/85/345874385.db2.gz ULVJTNSCOHZNJS-RXMQYKEDSA-N 1 2 181.251 1.735 10 0 ADAELO CC(C)[NH+]1CC(Nc2ncns2)C1 307186191 345874551 /nfs/dbraw/zinc/87/45/51/345874551.db2.gz UHFUHICLIWYATH-UHFFFAOYSA-N 1 2 198.295 1.043 10 0 ADAELO Cc1[nH+]cc(-c2ncccc2O)n1C 307187302 345875049 /nfs/dbraw/zinc/87/50/49/345875049.db2.gz OPXUGPXOAZSPFI-UHFFFAOYSA-N 1 2 189.218 1.496 10 0 ADAELO Cc1[nH]ncc1C[N@@H+]1CCC1(C)C 307188466 345875784 /nfs/dbraw/zinc/87/57/84/345875784.db2.gz BKPVHUPSLNIYIG-UHFFFAOYSA-N 1 2 179.267 1.702 10 0 ADAELO Cc1[nH]ncc1C[N@H+]1CCC1(C)C 307188466 345875786 /nfs/dbraw/zinc/87/57/86/345875786.db2.gz BKPVHUPSLNIYIG-UHFFFAOYSA-N 1 2 179.267 1.702 10 0 ADAELO Cc1cocc1[C@H]([NH3+])C(F)F 307195612 345881120 /nfs/dbraw/zinc/88/11/20/345881120.db2.gz 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307336546 345979068 /nfs/dbraw/zinc/97/90/68/345979068.db2.gz FKWKZTXLZRBDJB-DTWKUNHWSA-N 1 2 194.282 1.473 10 0 ADAELO C[C@H]1CCC[C@@H]([NH2+]Cc2cn[nH]n2)C1 307336546 345979071 /nfs/dbraw/zinc/97/90/71/345979071.db2.gz FKWKZTXLZRBDJB-DTWKUNHWSA-N 1 2 194.282 1.473 10 0 ADAELO C[C@@H]1CCC[C@H]([NH2+]Cc2c[nH]nn2)C1 307336544 345979105 /nfs/dbraw/zinc/97/91/05/345979105.db2.gz FKWKZTXLZRBDJB-BDAKNGLRSA-N 1 2 194.282 1.473 10 0 ADAELO C[C@@H]1CCC[C@H]([NH2+]Cc2cn[nH]n2)C1 307336544 345979108 /nfs/dbraw/zinc/97/91/08/345979108.db2.gz FKWKZTXLZRBDJB-BDAKNGLRSA-N 1 2 194.282 1.473 10 0 ADAELO C[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH]nn2)C1 307336552 345979168 /nfs/dbraw/zinc/97/91/68/345979168.db2.gz FKWKZTXLZRBDJB-RKDXNWHRSA-N 1 2 194.282 1.473 10 0 ADAELO C[C@@H]1CCC[C@@H]([NH2+]Cc2cn[nH]n2)C1 307336552 345979169 /nfs/dbraw/zinc/97/91/69/345979169.db2.gz FKWKZTXLZRBDJB-RKDXNWHRSA-N 1 2 194.282 1.473 10 0 ADAELO C[C@@H]1C[C@H]([N@@H+]2CCC(=O)C2)CS1 307338612 345980547 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/nfs/dbraw/zinc/00/39/35/346003935.db2.gz VRCFZJLEHYSURQ-CBAPKCEASA-N 1 2 195.291 1.590 10 0 ADAELO C[C@@H]1CC(=O)CC[N@@H+]1CCC(F)F 307375788 346003938 /nfs/dbraw/zinc/00/39/38/346003938.db2.gz ZNWAIOGRVDNXKK-SSDOTTSWSA-N 1 2 191.221 1.695 10 0 ADAELO C[C@@H]1CC(=O)CC[N@H+]1CCC(F)F 307375788 346003940 /nfs/dbraw/zinc/00/39/40/346003940.db2.gz ZNWAIOGRVDNXKK-SSDOTTSWSA-N 1 2 191.221 1.695 10 0 ADAELO Cc1cocc1[C@H]([NH3+])c1cnns1 307376729 346004188 /nfs/dbraw/zinc/00/41/88/346004188.db2.gz VOCHGMDJMYSQEC-QMMMGPOBSA-N 1 2 195.247 1.488 10 0 ADAELO Cc1cocc1[C@@H]([NH3+])c1cnns1 307376728 346004255 /nfs/dbraw/zinc/00/42/55/346004255.db2.gz VOCHGMDJMYSQEC-MRVPVSSYSA-N 1 2 195.247 1.488 10 0 ADAELO CCCn1cc(Cl)[nH+]c1N 307379366 346005376 /nfs/dbraw/zinc/00/53/76/346005376.db2.gz YPFCWMFZBGOCQD-UHFFFAOYSA-N 1 2 159.620 1.529 10 0 ADAELO c1cc(COc2cc[nH+]cc2)on1 307386477 346009117 /nfs/dbraw/zinc/00/91/17/346009117.db2.gz KDOMMSJWNCKUJW-UHFFFAOYSA-N 1 2 176.175 1.649 10 0 ADAELO Cc1cc(N[C@@H](C)C(F)F)nc[nH+]1 307388275 346010576 /nfs/dbraw/zinc/01/05/76/346010576.db2.gz NZFFYZQFXSBMAE-LURJTMIESA-N 1 2 187.193 1.851 10 0 ADAELO Cc1cc(N[C@H](C)C(F)F)nc[nH+]1 307388276 346010753 /nfs/dbraw/zinc/01/07/53/346010753.db2.gz NZFFYZQFXSBMAE-ZCFIWIBFSA-N 1 2 187.193 1.851 10 0 ADAELO CC1(C)SC[C@@H]1[NH2+]CC(F)F 307391771 346012183 /nfs/dbraw/zinc/01/21/83/346012183.db2.gz XAMWBGSDBNUFJC-YFKPBYRVSA-N 1 2 181.251 1.735 10 0 ADAELO CC(C)[C@@H]1[NH2+]CN([C@H]2CC[C@H]2C)C1=O 307391264 346012228 /nfs/dbraw/zinc/01/22/28/346012228.db2.gz VRJWEQPXXPFNFY-UTLUCORTSA-N 1 2 196.294 1.199 10 0 ADAELO CC1(C)SC[C@H]1[NH2+]CC(F)F 307391770 346012321 /nfs/dbraw/zinc/01/23/21/346012321.db2.gz XAMWBGSDBNUFJC-RXMQYKEDSA-N 1 2 181.251 1.735 10 0 ADAELO CC(C)[C@@H]1[NH2+]CN([C@H]2CC[C@@H]2C)C1=O 307391263 346012330 /nfs/dbraw/zinc/01/23/30/346012330.db2.gz VRJWEQPXXPFNFY-GUBZILKMSA-N 1 2 196.294 1.199 10 0 ADAELO CC(C)[C@@H]1[NH2+]CN([C@@H]2CC[C@@H]2C)C1=O 307391261 346012472 /nfs/dbraw/zinc/01/24/72/346012472.db2.gz VRJWEQPXXPFNFY-AEJSXWLSSA-N 1 2 196.294 1.199 10 0 ADAELO CC(C)[C@@H]1[NH2+]CN([C@@H]2CC[C@H]2C)C1=O 307391262 346012515 /nfs/dbraw/zinc/01/25/15/346012515.db2.gz VRJWEQPXXPFNFY-BBBLOLIVSA-N 1 2 196.294 1.199 10 0 ADAELO C[NH2+]Cc1noc(C=C2CCCC2)n1 307400044 346018553 /nfs/dbraw/zinc/01/85/53/346018553.db2.gz YNKRFIQDVGJOKW-UHFFFAOYSA-N 1 2 193.250 1.746 10 0 ADAELO [NH3+][C@H](c1cscn1)c1cncs1 307402254 346019991 /nfs/dbraw/zinc/01/99/91/346019991.db2.gz BFQOGUSLGHQPRO-SSDOTTSWSA-N 1 2 197.288 1.648 10 0 ADAELO [NH3+][C@@H](c1cscn1)c1cncs1 307402257 346020339 /nfs/dbraw/zinc/02/03/39/346020339.db2.gz BFQOGUSLGHQPRO-ZETCQYMHSA-N 1 2 197.288 1.648 10 0 ADAELO Cn1cc[nH+]c1CNc1ccon1 307404195 346021863 /nfs/dbraw/zinc/02/18/63/346021863.db2.gz CLSSWBTTWIERDH-UHFFFAOYSA-N 1 2 178.195 1.020 10 0 ADAELO CCn1cnc([C@H]([NH3+])C(F)F)c1 307406016 346023066 /nfs/dbraw/zinc/02/30/66/346023066.db2.gz DCACCIANMMJCCP-LURJTMIESA-N 1 2 175.182 1.168 10 0 ADAELO COC(=O)c1c[nH+]cc2cc[nH]c12 307406435 346023075 /nfs/dbraw/zinc/02/30/75/346023075.db2.gz KDXHKRDOVRKGPA-UHFFFAOYSA-N 1 2 176.175 1.301 10 0 ADAELO CCn1cnc([C@@H]([NH3+])C(F)F)c1 307406020 346023293 /nfs/dbraw/zinc/02/32/93/346023293.db2.gz DCACCIANMMJCCP-ZCFIWIBFSA-N 1 2 175.182 1.168 10 0 ADAELO Cc1cc(=S)[nH]c(C[NH+]2CCC2)n1 307410504 346026722 /nfs/dbraw/zinc/02/67/22/346026722.db2.gz OXUWCCPUJWULBY-UHFFFAOYSA-N 1 2 195.291 1.653 10 0 ADAELO Cc1c[nH+]ccc1N1CCC(=O)C1 307416095 346029383 /nfs/dbraw/zinc/02/93/83/346029383.db2.gz LCQGSRFNMRGBSY-UHFFFAOYSA-N 1 2 176.219 1.169 10 0 ADAELO C[C@@H]1C[C@H]1[C@@](C)([NH3+])C(F)(F)F 307416813 346029917 /nfs/dbraw/zinc/02/99/17/346029917.db2.gz ZQQWEQSJWXEKAJ-HSUXUTPPSA-N 1 2 167.174 1.922 10 0 ADAELO CNc1c[nH+]cc(NCCF)c1 307416808 346029946 /nfs/dbraw/zinc/02/99/46/346029946.db2.gz ZPWPGUWZGFBTRY-UHFFFAOYSA-N 1 2 169.203 1.505 10 0 ADAELO C[C@@H]1C[C@@H]1[C@](C)([NH3+])C(F)(F)F 307416816 346029986 /nfs/dbraw/zinc/02/99/86/346029986.db2.gz ZQQWEQSJWXEKAJ-SRQIZXRXSA-N 1 2 167.174 1.922 10 0 ADAELO C[C@@H]1C[C@H]1[C@](C)([NH3+])C(F)(F)F 307416815 346030073 /nfs/dbraw/zinc/03/00/73/346030073.db2.gz ZQQWEQSJWXEKAJ-PBXRRBTRSA-N 1 2 167.174 1.922 10 0 ADAELO C[C@@H]1C[C@@H]1[C@@](C)([NH3+])C(F)(F)F 307416814 346030121 /nfs/dbraw/zinc/03/01/21/346030121.db2.gz ZQQWEQSJWXEKAJ-NGJCXOISSA-N 1 2 167.174 1.922 10 0 ADAELO CC(C)[S@@](=O)Nc1ccc(N)[nH+]c1 307417696 346030440 /nfs/dbraw/zinc/03/04/40/346030440.db2.gz GHTBHNFINNSCGZ-CYBMUJFWSA-N 1 2 199.279 1.148 10 0 ADAELO CC(C)[S@](=O)Nc1ccc(N)[nH+]c1 307417697 346030630 /nfs/dbraw/zinc/03/06/30/346030630.db2.gz GHTBHNFINNSCGZ-ZDUSSCGKSA-N 1 2 199.279 1.148 10 0 ADAELO C/C=C/CNc1[nH+]cnc(N)c1Cl 307422800 346032658 /nfs/dbraw/zinc/03/26/58/346032658.db2.gz OVJMDBKLZBZLPZ-NSCUHMNNSA-N 1 2 198.657 1.700 10 0 ADAELO CC[C@@H]1CCN1c1cc[nH+]c(C)n1 307423667 346032978 /nfs/dbraw/zinc/03/29/78/346032978.db2.gz NPIIIAOYGZAJKX-SECBINFHSA-N 1 2 177.251 1.774 10 0 ADAELO CC[C@H]1CCN1c1cc[nH+]c(C)n1 307423671 346033273 /nfs/dbraw/zinc/03/32/73/346033273.db2.gz NPIIIAOYGZAJKX-VIFPVBQESA-N 1 2 177.251 1.774 10 0 ADAELO CN(C)[NH2+][C@H]1CC2CCC1CC2 307432382 346036760 /nfs/dbraw/zinc/03/67/60/346036760.db2.gz ZCODJLTYOOMIEE-RTBKNWGFSA-N 1 2 168.284 1.631 10 0 ADAELO CN(C)[NH2+][C@@H]1CC2CCC1CC2 307432383 346036984 /nfs/dbraw/zinc/03/69/84/346036984.db2.gz ZCODJLTYOOMIEE-UDNWOFFPSA-N 1 2 168.284 1.631 10 0 ADAELO O=C1CCNc2c(Cl)c[nH+]cc2N1 307436212 346039002 /nfs/dbraw/zinc/03/90/02/346039002.db2.gz SPKYCIMNPSGTNY-UHFFFAOYSA-N 1 2 197.625 1.489 10 0 ADAELO Cc1sccc1[C@H]([NH3+])c1ncon1 307437672 346039558 /nfs/dbraw/zinc/03/95/58/346039558.db2.gz MBADMICVIRYBRM-ZETCQYMHSA-N 1 2 195.247 1.488 10 0 ADAELO Cc1sccc1[C@@H]([NH3+])c1ncon1 307437670 346039587 /nfs/dbraw/zinc/03/95/87/346039587.db2.gz MBADMICVIRYBRM-SSDOTTSWSA-N 1 2 195.247 1.488 10 0 ADAELO O[C@H](Cn1cc[nH+]c1)c1ccoc1 307438162 346040136 /nfs/dbraw/zinc/04/01/36/346040136.db2.gz RGMOGOBQSLILDT-SECBINFHSA-N 1 2 178.191 1.210 10 0 ADAELO O[C@@H](Cn1cc[nH+]c1)c1ccoc1 307438163 346040294 /nfs/dbraw/zinc/04/02/94/346040294.db2.gz RGMOGOBQSLILDT-VIFPVBQESA-N 1 2 178.191 1.210 10 0 ADAELO CC1(C[NH+]2CC(F)C2)CCC1 307439110 346040821 /nfs/dbraw/zinc/04/08/21/346040821.db2.gz WMBXRFHTKYRZBZ-UHFFFAOYSA-N 1 2 157.232 1.830 10 0 ADAELO C[C@@H]1CC[NH2+][C@@H](c2ccn(C)n2)S1 307441630 346042189 /nfs/dbraw/zinc/04/21/89/346042189.db2.gz RZUPLYZQANRMTP-VXNVDRBHSA-N 1 2 197.307 1.534 10 0 ADAELO C[C@H]1CC[NH2+][C@H](c2ccn(C)n2)S1 307441621 346042194 /nfs/dbraw/zinc/04/21/94/346042194.db2.gz RZUPLYZQANRMTP-CBAPKCEASA-N 1 2 197.307 1.534 10 0 ADAELO C[C@H]1CC[NH2+][C@@H](c2ccn(C)n2)S1 307441626 346042235 /nfs/dbraw/zinc/04/22/35/346042235.db2.gz RZUPLYZQANRMTP-IONNQARKSA-N 1 2 197.307 1.534 10 0 ADAELO C[C@@H]1CC[NH2+][C@H](c2ccn(C)n2)S1 307441616 346042533 /nfs/dbraw/zinc/04/25/33/346042533.db2.gz RZUPLYZQANRMTP-APPZFPTMSA-N 1 2 197.307 1.534 10 0 ADAELO Cn1cnc([C@@H]2[NH2+]C(C)(C)CS2)c1 307442545 346042953 /nfs/dbraw/zinc/04/29/53/346042953.db2.gz AKZTXOBOYUYYKQ-MRVPVSSYSA-N 1 2 197.307 1.534 10 0 ADAELO CN(C)C(=[NH2+])c1ccc(O)c(Cl)c1 307446725 346045667 /nfs/dbraw/zinc/04/56/67/346045667.db2.gz XAGFDDORJGDNDV-UHFFFAOYSA-N 1 2 198.653 1.933 10 0 ADAELO Nc1ccc([NH2+]CCF)cc1N 307453086 346049453 /nfs/dbraw/zinc/04/94/53/346049453.db2.gz ZDYZCSVAPRYGEL-UHFFFAOYSA-N 1 2 169.203 1.232 10 0 ADAELO Cc1nc(C(=[NH2+])NCC(C)C)co1 307454614 346050573 /nfs/dbraw/zinc/05/05/73/346050573.db2.gz YANQBZNFKHMLQO-UHFFFAOYSA-N 1 2 181.239 1.554 10 0 ADAELO CC1(C)CC[C@@H]1n1c[nH+]cc1CO 307455712 346050903 /nfs/dbraw/zinc/05/09/03/346050903.db2.gz DMADDEHEMYHTLA-VIFPVBQESA-N 1 2 180.251 1.737 10 0 ADAELO CC1(C)CC[C@H]1n1c[nH+]cc1CO 307455711 346051090 /nfs/dbraw/zinc/05/10/90/346051090.db2.gz DMADDEHEMYHTLA-SECBINFHSA-N 1 2 180.251 1.737 10 0 ADAELO Cc1ccc(CS(C)(=O)=O)c(C)[nH+]1 307455949 346051531 /nfs/dbraw/zinc/05/15/31/346051531.db2.gz 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/nfs/dbraw/zinc/05/95/09/346059509.db2.gz UKDJWRAZCBFDLO-MRVPVSSYSA-N 1 2 178.235 1.740 10 0 ADAELO Cc1cc([C@@H]([NH3+])C(F)F)sn1 307471100 346059683 /nfs/dbraw/zinc/05/96/83/346059683.db2.gz QVIQQCIKOWNHPB-RXMQYKEDSA-N 1 2 178.207 1.716 10 0 ADAELO Cc1cc([C@H]([NH3+])C(F)F)sn1 307471101 346060037 /nfs/dbraw/zinc/06/00/37/346060037.db2.gz QVIQQCIKOWNHPB-YFKPBYRVSA-N 1 2 178.207 1.716 10 0 ADAELO Cn1cc([C@@H]([NH3+])C(C)(F)F)cn1 307472634 346060848 /nfs/dbraw/zinc/06/08/48/346060848.db2.gz UDVPUMYAKUFUJB-ZCFIWIBFSA-N 1 2 175.182 1.075 10 0 ADAELO Cn1cc([C@H]([NH3+])C(C)(F)F)cn1 307472632 346061086 /nfs/dbraw/zinc/06/10/86/346061086.db2.gz UDVPUMYAKUFUJB-LURJTMIESA-N 1 2 175.182 1.075 10 0 ADAELO CC[C@@H](C)c1nc(N)c(OC)c(C)[nH+]1 307477550 346064039 /nfs/dbraw/zinc/06/40/39/346064039.db2.gz MGCLOKGGCJQYRI-ZCFIWIBFSA-N 1 2 195.266 1.889 10 0 ADAELO CC[C@H](C)c1nc(N)c(OC)c(C)[nH+]1 307477549 346064071 /nfs/dbraw/zinc/06/40/71/346064071.db2.gz MGCLOKGGCJQYRI-LURJTMIESA-N 1 2 195.266 1.889 10 0 ADAELO Nc1ccc(-c2ccsn2)c[nH+]1 307480425 346066022 /nfs/dbraw/zinc/06/60/22/346066022.db2.gz OVNHFYBZTWZSKC-UHFFFAOYSA-N 1 2 177.232 1.787 10 0 ADAELO Cc1nnsc1[C@@H]1[NH2+]CCS1 307482531 346066964 /nfs/dbraw/zinc/06/69/64/346066964.db2.gz RDCFANVPMXJDTJ-ZCFIWIBFSA-N 1 2 187.293 1.182 10 0 ADAELO Cc1nnsc1[C@H]1[NH2+]CCS1 307482530 346066993 /nfs/dbraw/zinc/06/69/93/346066993.db2.gz RDCFANVPMXJDTJ-LURJTMIESA-N 1 2 187.293 1.182 10 0 ADAELO Cc1nc([C@H]([NH3+])c2ccns2)co1 307489474 346071060 /nfs/dbraw/zinc/07/10/60/346071060.db2.gz DXSIWKINVSTZBP-QMMMGPOBSA-N 1 2 195.247 1.488 10 0 ADAELO Cc1nnsc1[C@@H]([NH3+])c1ccc[nH]1 307490180 346071103 /nfs/dbraw/zinc/07/11/03/346071103.db2.gz AGODMQIWTKGXLW-ZETCQYMHSA-N 1 2 194.263 1.223 10 0 ADAELO Cc1nc([C@@H]([NH3+])c2ccns2)co1 307489473 346071146 /nfs/dbraw/zinc/07/11/46/346071146.db2.gz DXSIWKINVSTZBP-MRVPVSSYSA-N 1 2 195.247 1.488 10 0 ADAELO CNc1cc(N[C@H]2CC[C@@H]2C)[nH+]cn1 307489731 346071163 /nfs/dbraw/zinc/07/11/63/346071163.db2.gz DYQWDYCVDNWWTO-YUMQZZPRSA-N 1 2 192.266 1.729 10 0 ADAELO CNc1cc(N[C@@H]2CC[C@H]2C)[nH+]cn1 307489708 346071168 /nfs/dbraw/zinc/07/11/68/346071168.db2.gz DYQWDYCVDNWWTO-HTQZYQBOSA-N 1 2 192.266 1.729 10 0 ADAELO CNc1cc(N[C@@H]2CC[C@@H]2C)[nH+]cn1 307489718 346071179 /nfs/dbraw/zinc/07/11/79/346071179.db2.gz DYQWDYCVDNWWTO-JGVFFNPUSA-N 1 2 192.266 1.729 10 0 ADAELO Cc1nnsc1[C@H]([NH3+])c1ccc[nH]1 307490178 346071238 /nfs/dbraw/zinc/07/12/38/346071238.db2.gz AGODMQIWTKGXLW-SSDOTTSWSA-N 1 2 194.263 1.223 10 0 ADAELO CC[C@@H]1CC[N@@H+]1Cc1cn[nH]c1C 307494072 346073697 /nfs/dbraw/zinc/07/36/97/346073697.db2.gz HTZYRRYRBGXBMN-SNVBAGLBSA-N 1 2 179.267 1.702 10 0 ADAELO CC[C@@H]1CC[N@H+]1Cc1cn[nH]c1C 307494072 346073698 /nfs/dbraw/zinc/07/36/98/346073698.db2.gz HTZYRRYRBGXBMN-SNVBAGLBSA-N 1 2 179.267 1.702 10 0 ADAELO CC[C@H]1CC[N@@H+]1Cc1cn[nH]c1C 307494068 346073718 /nfs/dbraw/zinc/07/37/18/346073718.db2.gz HTZYRRYRBGXBMN-JTQLQIEISA-N 1 2 179.267 1.702 10 0 ADAELO CC[C@H]1CC[N@H+]1Cc1cn[nH]c1C 307494068 346073719 /nfs/dbraw/zinc/07/37/19/346073719.db2.gz HTZYRRYRBGXBMN-JTQLQIEISA-N 1 2 179.267 1.702 10 0 ADAELO CC(C)Sc1ccnc(C(N)=[NH2+])n1 307498441 346076018 /nfs/dbraw/zinc/07/60/18/346076018.db2.gz KJZOUIHGWFCOFE-UHFFFAOYSA-N 1 2 196.279 1.261 10 0 ADAELO CC(C)OC1CC(Nc2c[nH]c[nH+]2)C1 307498983 346076042 /nfs/dbraw/zinc/07/60/42/346076042.db2.gz KQRDGLHXNMKXLA-UHFFFAOYSA-N 1 2 195.266 1.778 10 0 ADAELO CCCc1noc([C@H]2C[C@H](F)C[NH2+]2)n1 307500501 346076755 /nfs/dbraw/zinc/07/67/55/346076755.db2.gz HRXVHSXZPDCPGO-NKWVEPMBSA-N 1 2 199.229 1.395 10 0 ADAELO Cc1nc(Cc2[nH+]c[nH]c2C)no1 307500216 346076967 /nfs/dbraw/zinc/07/69/67/346076967.db2.gz HQNAMSLACPHBHV-UHFFFAOYSA-N 1 2 178.195 1.000 10 0 ADAELO Cc1nc(Cc2[nH]c[nH+]c2C)no1 307500216 346076970 /nfs/dbraw/zinc/07/69/70/346076970.db2.gz HQNAMSLACPHBHV-UHFFFAOYSA-N 1 2 178.195 1.000 10 0 ADAELO CCNc1c[nH+]cc(N2CCC2)c1 307501968 346077890 /nfs/dbraw/zinc/07/78/90/346077890.db2.gz VLBZCYGZWLJCFH-UHFFFAOYSA-N 1 2 177.251 1.724 10 0 ADAELO Nc1ncc(CNc2c[nH]c[nH+]2)s1 307503402 346078502 /nfs/dbraw/zinc/07/85/02/346078502.db2.gz OJUMSDGVBCZCKB-UHFFFAOYSA-N 1 2 195.251 1.061 10 0 ADAELO FCCNc1cccc2[nH+]ccn12 307503947 346079040 /nfs/dbraw/zinc/07/90/40/346079040.db2.gz OYZVRDLKZZNKGV-UHFFFAOYSA-N 1 2 179.198 1.716 10 0 ADAELO Clc1snnc1C[NH2+]C1CC1 307505314 346079546 /nfs/dbraw/zinc/07/95/46/346079546.db2.gz XGPRVMGJPJHHIU-UHFFFAOYSA-N 1 2 189.671 1.444 10 0 ADAELO [NH3+][C@@H](c1cscn1)c1csnn1 307505984 346079839 /nfs/dbraw/zinc/07/98/39/346079839.db2.gz XVKVFVRCFHIWLU-LURJTMIESA-N 1 2 198.276 1.043 10 0 ADAELO [NH3+][C@H](c1cscn1)c1csnn1 307505985 346080051 /nfs/dbraw/zinc/08/00/51/346080051.db2.gz XVKVFVRCFHIWLU-ZCFIWIBFSA-N 1 2 198.276 1.043 10 0 ADAELO C[C@@H]1C[NH2+][C@@H](c2nccn2C)SC1 307507917 346080847 /nfs/dbraw/zinc/08/08/47/346080847.db2.gz NGNBOOVAYJQSOM-VXNVDRBHSA-N 1 2 197.307 1.391 10 0 ADAELO C[C@H]1C[NH2+][C@H](c2nccn2C)SC1 307507897 346080883 /nfs/dbraw/zinc/08/08/83/346080883.db2.gz NGNBOOVAYJQSOM-CBAPKCEASA-N 1 2 197.307 1.391 10 0 ADAELO c1[nH]cc(NC2CCC2)[nH+]1 307508261 346081347 /nfs/dbraw/zinc/08/13/47/346081347.db2.gz AFHWOUDWSSCPKU-UHFFFAOYSA-N 1 2 137.186 1.374 10 0 ADAELO CNc1[nH+]cnc(N2CCC2)c1C 307509841 346081804 /nfs/dbraw/zinc/08/18/04/346081804.db2.gz VNPJMQDEXQYLJO-UHFFFAOYSA-N 1 2 178.239 1.037 10 0 ADAELO CNc1nc[nH+]c(N2CCC2)c1C 307509841 346081805 /nfs/dbraw/zinc/08/18/05/346081805.db2.gz VNPJMQDEXQYLJO-UHFFFAOYSA-N 1 2 178.239 1.037 10 0 ADAELO CC(C)n1cc(Cl)[nH+]c1N 307509710 346081885 /nfs/dbraw/zinc/08/18/85/346081885.db2.gz BJGFANSUWZGYEU-UHFFFAOYSA-N 1 2 159.620 1.700 10 0 ADAELO Cc1cnn(CCn2cc[nH+]c2)c1 307515203 346085764 /nfs/dbraw/zinc/08/57/64/346085764.db2.gz DYFCOYIQCPROOC-UHFFFAOYSA-N 1 2 176.223 1.088 10 0 ADAELO Cc1nc([C@H]([NH3+])c2ccsn2)co1 307517473 346087134 /nfs/dbraw/zinc/08/71/34/346087134.db2.gz JLORVQKKIYQUQY-MRVPVSSYSA-N 1 2 195.247 1.488 10 0 ADAELO CCn1c[nH+]c(C2=C[C@H](O)CC2)c1 307518295 346087301 /nfs/dbraw/zinc/08/73/01/346087301.db2.gz KWLVPQYMKWZWBK-SECBINFHSA-N 1 2 178.235 1.441 10 0 ADAELO Cc1nc([C@@H]([NH3+])c2ccsn2)co1 307517475 346087439 /nfs/dbraw/zinc/08/74/39/346087439.db2.gz JLORVQKKIYQUQY-QMMMGPOBSA-N 1 2 195.247 1.488 10 0 ADAELO CCn1c[nH+]c(C2=C[C@@H](O)CC2)c1 307518297 346087521 /nfs/dbraw/zinc/08/75/21/346087521.db2.gz KWLVPQYMKWZWBK-VIFPVBQESA-N 1 2 178.235 1.441 10 0 ADAELO Clc1ccnc(Cn2cc[nH+]c2)n1 307518715 346087697 /nfs/dbraw/zinc/08/76/97/346087697.db2.gz VLRZPBQNRSOWFV-UHFFFAOYSA-N 1 2 194.625 1.375 10 0 ADAELO Cn1c[nH+]cc1CNc1ncco1 307520431 346088924 /nfs/dbraw/zinc/08/89/24/346088924.db2.gz QHNUXAJNKLRRRT-UHFFFAOYSA-N 1 2 178.195 1.020 10 0 ADAELO CC(C)[N@@H+]1CC(=O)N[C@]1(C)C(C)C 307523568 346090357 /nfs/dbraw/zinc/09/03/57/346090357.db2.gz QHDCNPRGRWEVIP-JTQLQIEISA-N 1 2 184.283 1.199 10 0 ADAELO CC(C)[N@H+]1CC(=O)N[C@]1(C)C(C)C 307523568 346090358 /nfs/dbraw/zinc/09/03/58/346090358.db2.gz QHDCNPRGRWEVIP-JTQLQIEISA-N 1 2 184.283 1.199 10 0 ADAELO CC(C)[N@@H+]1CC(=O)N[C@@]1(C)C(C)C 307523573 346090523 /nfs/dbraw/zinc/09/05/23/346090523.db2.gz QHDCNPRGRWEVIP-SNVBAGLBSA-N 1 2 184.283 1.199 10 0 ADAELO CC(C)[N@H+]1CC(=O)N[C@@]1(C)C(C)C 307523573 346090524 /nfs/dbraw/zinc/09/05/24/346090524.db2.gz QHDCNPRGRWEVIP-SNVBAGLBSA-N 1 2 184.283 1.199 10 0 ADAELO Nc1c[nH+]c(N)c(C(F)(F)F)c1 307524941 346091581 /nfs/dbraw/zinc/09/15/81/346091581.db2.gz GTFDTBCQEQSKEH-UHFFFAOYSA-N 1 2 177.129 1.265 10 0 ADAELO Nc1ccc([NH+]2CCC2)cc1N 307528564 346093721 /nfs/dbraw/zinc/09/37/21/346093721.db2.gz KIZFIWRTPREUKA-UHFFFAOYSA-N 1 2 163.224 1.061 10 0 ADAELO O[C@@H]1CCC[C@@H]1Nc1cccc[nH+]1 307532222 346095193 /nfs/dbraw/zinc/09/51/93/346095193.db2.gz YVFQGVBSABPKID-DTWKUNHWSA-N 1 2 178.235 1.407 10 0 ADAELO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ncn[nH]1 307533182 346095767 /nfs/dbraw/zinc/09/57/67/346095767.db2.gz ATHOQDNTAJNBKA-SFYZADRCSA-N 1 2 194.282 1.644 10 0 ADAELO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ncn[nH]1 307533177 346095877 /nfs/dbraw/zinc/09/58/77/346095877.db2.gz ATHOQDNTAJNBKA-JGVFFNPUSA-N 1 2 194.282 1.644 10 0 ADAELO C[C@H]([NH2+][C@H]1CCC1(C)C)c1ncn[nH]1 307533186 346095901 /nfs/dbraw/zinc/09/59/01/346095901.db2.gz ATHOQDNTAJNBKA-YUMQZZPRSA-N 1 2 194.282 1.644 10 0 ADAELO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ncn[nH]1 307533173 346096116 /nfs/dbraw/zinc/09/61/16/346096116.db2.gz ATHOQDNTAJNBKA-HTQZYQBOSA-N 1 2 194.282 1.644 10 0 ADAELO Clc1nccc(C[NH+]2CCC2)n1 307537296 346098596 /nfs/dbraw/zinc/09/85/96/346098596.db2.gz UXCGERSJEUVUKS-UHFFFAOYSA-N 1 2 183.642 1.336 10 0 ADAELO CCNc1ccc(C(N)=S)c(C)[nH+]1 307539578 346100517 /nfs/dbraw/zinc/10/05/17/346100517.db2.gz QKRDIRBPHYWFIN-UHFFFAOYSA-N 1 2 195.291 1.456 10 0 ADAELO Cc1[nH+]c[nH]c1CNc1ncns1 307540772 346100665 /nfs/dbraw/zinc/10/06/65/346100665.db2.gz WMBDPIHFYLZGMG-UHFFFAOYSA-N 1 2 195.251 1.182 10 0 ADAELO Cc1cc(-c2cn(C)cn2)c[nH+]c1N 307540504 346100934 /nfs/dbraw/zinc/10/09/34/346100934.db2.gz WDRFYVQTQJDITL-UHFFFAOYSA-N 1 2 188.234 1.373 10 0 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179.267 1.899 10 0 ADAELO Clc1cc(C[NH+]2CCC2)ccn1 307564553 346115155 /nfs/dbraw/zinc/11/51/55/346115155.db2.gz YUJYJVYOGYBZCO-UHFFFAOYSA-N 1 2 182.654 1.941 10 0 ADAELO FCCNc1cc2cc[nH]c2c[nH+]1 307565602 346116291 /nfs/dbraw/zinc/11/62/91/346116291.db2.gz CESZYCQCQUWRFC-UHFFFAOYSA-N 1 2 179.198 1.944 10 0 ADAELO CC1(C)[C@@H](C(F)(F)F)CCN1[NH3+] 307569520 346118615 /nfs/dbraw/zinc/11/86/15/346118615.db2.gz XMGXSABJOTYGIN-YFKPBYRVSA-N 1 2 182.189 1.523 10 0 ADAELO CC1(C)[C@H](C(F)(F)F)CCN1[NH3+] 307569519 346118660 /nfs/dbraw/zinc/11/86/60/346118660.db2.gz XMGXSABJOTYGIN-RXMQYKEDSA-N 1 2 182.189 1.523 10 0 ADAELO CC1(C)CC[C@H]1[N@@H+]1CCC(=O)C1 307573922 346121953 /nfs/dbraw/zinc/12/19/53/346121953.db2.gz FCSLDHAHSOCUQL-SECBINFHSA-N 1 2 167.252 1.450 10 0 ADAELO CC1(C)CC[C@H]1[N@H+]1CCC(=O)C1 307573922 346121956 /nfs/dbraw/zinc/12/19/56/346121956.db2.gz FCSLDHAHSOCUQL-SECBINFHSA-N 1 2 167.252 1.450 10 0 ADAELO CC1(C)CC[C@@H]1[N@@H+]1CCC(=O)C1 307573923 346122072 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C/C=C\C[NH2+][C@@H](CCCC)C(=O)OC 384799919 346539329 /nfs/dbraw/zinc/53/93/29/346539329.db2.gz XPNNKVRYVOJVGY-BXKUYDPTSA-N 1 2 199.294 1.884 10 0 ADAELO CC=CC[NH2+]Cc1ccn[nH]1 384815913 346539336 /nfs/dbraw/zinc/53/93/36/346539336.db2.gz DEBRSBNSZZKOCG-IHWYPQMZSA-N 1 2 151.213 1.075 10 0 ADAELO C/C=C\C[NH2+][C@H](CCCC)C(=O)OC 384799920 346539372 /nfs/dbraw/zinc/53/93/72/346539372.db2.gz XPNNKVRYVOJVGY-ONRRBMGISA-N 1 2 199.294 1.884 10 0 ADAELO C/C=C/C[NH2+]Cc1cn[nH]c1C 384850922 346540319 /nfs/dbraw/zinc/54/03/19/346540319.db2.gz KYFWEKHXIDBMSL-ONEGZZNKSA-N 1 2 165.240 1.384 10 0 ADAELO C/C=C\C[NH2+]Cc1csnn1 384832317 346540391 /nfs/dbraw/zinc/54/03/91/346540391.db2.gz HBCCGLFDZOUHEP-IHWYPQMZSA-N 1 2 169.253 1.204 10 0 ADAELO Cc1c[nH+]ccc1/C=C\CO 385014042 346541818 /nfs/dbraw/zinc/54/18/18/346541818.db2.gz YOFYYYSWXQDBQL-IHWYPQMZSA-N 1 2 149.193 1.396 10 0 ADAELO Cc1ccc(CSCCO)c(C)[nH+]1 388221357 346547779 /nfs/dbraw/zinc/54/77/79/346547779.db2.gz IJGIOLMXSLCSRM-UHFFFAOYSA-N 1 2 197.303 1.924 10 0 ADAELO CCC[N@@H+](CC(F)F)CC(C)(C)O 388513419 346558145 /nfs/dbraw/zinc/55/81/45/346558145.db2.gz UANGQBQMKGMLRT-UHFFFAOYSA-N 1 2 195.253 1.734 10 0 ADAELO CCC[N@H+](CC(F)F)CC(C)(C)O 388513419 346558143 /nfs/dbraw/zinc/55/81/43/346558143.db2.gz UANGQBQMKGMLRT-UHFFFAOYSA-N 1 2 195.253 1.734 10 0 ADAELO CCOC(=O)C(C)(C)[NH2+]CCCF 388666376 346563530 /nfs/dbraw/zinc/56/35/30/346563530.db2.gz WUQRWLALUZYJEU-UHFFFAOYSA-N 1 2 191.246 1.277 10 0 ADAELO c1cc(C[NH2+]Cc2cocn2)co1 388735890 346565428 /nfs/dbraw/zinc/56/54/28/346565428.db2.gz WNTUONGIFFTYHZ-UHFFFAOYSA-N 1 2 178.191 1.557 10 0 ADAELO Nc1[nH+]cccc1C=Nn1cccc1 393689777 346581365 /nfs/dbraw/zinc/58/13/65/346581365.db2.gz NLGFYBBIANXTSY-UHFFFAOYSA-N 1 2 186.218 1.348 10 0 ADAELO CCOC(=O)Cc1ccc(C)c(N)[nH+]1 396138476 346588044 /nfs/dbraw/zinc/58/80/44/346588044.db2.gz FZSIRJZCGFDTDU-UHFFFAOYSA-N 1 2 194.234 1.078 10 0 ADAELO CCOC(=O)Cc1cc(C)[nH+]cc1N 396137278 346588129 /nfs/dbraw/zinc/58/81/29/346588129.db2.gz BSRONPYWXKZWRV-UHFFFAOYSA-N 1 2 194.234 1.078 10 0 ADAELO CCOC(=O)Cc1c(C)c[nH+]cc1N 396140881 346588248 /nfs/dbraw/zinc/58/82/48/346588248.db2.gz KLEVCRNCCUBURR-UHFFFAOYSA-N 1 2 194.234 1.078 10 0 ADAELO CCOC(=O)Cc1c[nH+]c(C)c(N)c1 396140884 346588311 /nfs/dbraw/zinc/58/83/11/346588311.db2.gz KMMREEPJWFNZKE-UHFFFAOYSA-N 1 2 194.234 1.078 10 0 ADAELO CCOC(=O)Cc1cc(N)c[nH+]c1C 396143153 346588349 /nfs/dbraw/zinc/58/83/49/346588349.db2.gz UKCVBEBKOYRWFJ-UHFFFAOYSA-N 1 2 194.234 1.078 10 0 ADAELO CCOC(=O)Cc1cc[nH+]c(C)c1N 396137274 346588424 /nfs/dbraw/zinc/58/84/24/346588424.db2.gz BRJXWPOQXVZBMH-UHFFFAOYSA-N 1 2 194.234 1.078 10 0 ADAELO CCOC(=O)Cc1c[nH+]cc(N)c1C 396141258 346588533 /nfs/dbraw/zinc/58/85/33/346588533.db2.gz LLJCNMDWUCKDCY-UHFFFAOYSA-N 1 2 194.234 1.078 10 0 ADAELO Cc1ncc(C[NH2+]Cc2ccoc2)o1 397936969 346593915 /nfs/dbraw/zinc/59/39/15/346593915.db2.gz XEUPSIRBKAELJK-UHFFFAOYSA-N 1 2 192.218 1.866 10 0 ADAELO Cc1ncc(C[NH2+]Cc2ccco2)o1 397941823 346594736 /nfs/dbraw/zinc/59/47/36/346594736.db2.gz YYFFKBLIGVXUBG-UHFFFAOYSA-N 1 2 192.218 1.866 10 0 ADAELO CCC(CC)C[NH2+]Cc1c[nH]nn1 398383838 346595206 /nfs/dbraw/zinc/59/52/06/346595206.db2.gz VTSWFYPSKKQQOG-UHFFFAOYSA-N 1 2 182.271 1.331 10 0 ADAELO CCC(CC)C[NH2+]Cc1cn[nH]n1 398383838 346595207 /nfs/dbraw/zinc/59/52/07/346595207.db2.gz VTSWFYPSKKQQOG-UHFFFAOYSA-N 1 2 182.271 1.331 10 0 ADAELO CC[C@H]1C[NH+](CC(C)=O)C[C@H](CC)O1 398363828 346595240 /nfs/dbraw/zinc/59/52/40/346595240.db2.gz FPQJLYKTLYGLRD-QWRGUYRKSA-N 1 2 199.294 1.465 10 0 ADAELO c1cc(C[NH2+]Cc2cnn[nH]2)cs1 398371325 346595348 /nfs/dbraw/zinc/59/53/48/346595348.db2.gz RBDXLWUOJXUSNK-UHFFFAOYSA-N 1 2 194.263 1.156 10 0 ADAELO CC[C@@H]1C[NH+](CC(C)=O)C[C@@H](CC)O1 398363825 346595390 /nfs/dbraw/zinc/59/53/90/346595390.db2.gz FPQJLYKTLYGLRD-GHMZBOCLSA-N 1 2 199.294 1.465 10 0 ADAELO CC[C@H]1C[N@H+](CC(C)=O)C[C@@H](CC)O1 398363827 346595413 /nfs/dbraw/zinc/59/54/13/346595413.db2.gz FPQJLYKTLYGLRD-PHIMTYICSA-N 1 2 199.294 1.465 10 0 ADAELO CC[C@H]1C[N@@H+](CC(C)=O)C[C@@H](CC)O1 398363827 346595415 /nfs/dbraw/zinc/59/54/15/346595415.db2.gz FPQJLYKTLYGLRD-PHIMTYICSA-N 1 2 199.294 1.465 10 0 ADAELO CC[C@H]([NH2+]Cc1c[nH]nn1)C1CC1 398338563 346595437 /nfs/dbraw/zinc/59/54/37/346595437.db2.gz FFIBCSIUTGXNQY-VIFPVBQESA-N 1 2 180.255 1.083 10 0 ADAELO CC[C@H]([NH2+]Cc1cn[nH]n1)C1CC1 398338563 346595440 /nfs/dbraw/zinc/59/54/40/346595440.db2.gz FFIBCSIUTGXNQY-VIFPVBQESA-N 1 2 180.255 1.083 10 0 ADAELO C1=CC[C@H](C[NH2+]Cc2c[nH]nn2)CC1 398277783 346595474 /nfs/dbraw/zinc/59/54/74/346595474.db2.gz DQPCQUGHWGPQBD-VIFPVBQESA-N 1 2 192.266 1.251 10 0 ADAELO C1=CC[C@H](C[NH2+]Cc2cn[nH]n2)CC1 398277783 346595477 /nfs/dbraw/zinc/59/54/77/346595477.db2.gz DQPCQUGHWGPQBD-VIFPVBQESA-N 1 2 192.266 1.251 10 0 ADAELO CC[C@@H]([NH2+]Cc1c[nH]nn1)C(C)C 398333550 346595534 /nfs/dbraw/zinc/59/55/34/346595534.db2.gz BTXLNBFJVUGTKG-SECBINFHSA-N 1 2 182.271 1.329 10 0 ADAELO CC[C@@H]([NH2+]Cc1cn[nH]n1)C(C)C 398333550 346595537 /nfs/dbraw/zinc/59/55/37/346595537.db2.gz BTXLNBFJVUGTKG-SECBINFHSA-N 1 2 182.271 1.329 10 0 ADAELO c1[nH]nnc1C[NH2+]CC1CCCCC1 398305136 346595591 /nfs/dbraw/zinc/59/55/91/346595591.db2.gz UHXOYIXUUAKHAL-UHFFFAOYSA-N 1 2 194.282 1.475 10 0 ADAELO c1n[nH]nc1C[NH2+]CC1CCCCC1 398305136 346595595 /nfs/dbraw/zinc/59/55/95/346595595.db2.gz UHXOYIXUUAKHAL-UHFFFAOYSA-N 1 2 194.282 1.475 10 0 ADAELO C1=CC[C@@H](C[NH2+]Cc2c[nH]nn2)CC1 398277781 346595651 /nfs/dbraw/zinc/59/56/51/346595651.db2.gz DQPCQUGHWGPQBD-SECBINFHSA-N 1 2 192.266 1.251 10 0 ADAELO C1=CC[C@@H](C[NH2+]Cc2cn[nH]n2)CC1 398277781 346595654 /nfs/dbraw/zinc/59/56/54/346595654.db2.gz DQPCQUGHWGPQBD-SECBINFHSA-N 1 2 192.266 1.251 10 0 ADAELO CC[C@H]([NH2+]Cc1c[nH]nn1)C(C)C 398333551 346595679 /nfs/dbraw/zinc/59/56/79/346595679.db2.gz BTXLNBFJVUGTKG-VIFPVBQESA-N 1 2 182.271 1.329 10 0 ADAELO CC[C@H]([NH2+]Cc1cn[nH]n1)C(C)C 398333551 346595682 /nfs/dbraw/zinc/59/56/82/346595682.db2.gz BTXLNBFJVUGTKG-VIFPVBQESA-N 1 2 182.271 1.329 10 0 ADAELO CC[C@@H]([NH2+]Cc1c[nH]nn1)C1CC1 398338562 346595833 /nfs/dbraw/zinc/59/58/33/346595833.db2.gz FFIBCSIUTGXNQY-SECBINFHSA-N 1 2 180.255 1.083 10 0 ADAELO CC[C@@H]([NH2+]Cc1cn[nH]n1)C1CC1 398338562 346595834 /nfs/dbraw/zinc/59/58/34/346595834.db2.gz FFIBCSIUTGXNQY-SECBINFHSA-N 1 2 180.255 1.083 10 0 ADAELO CCC(CC)[NH2+]Cc1c[nH]nn1 398340708 346595865 /nfs/dbraw/zinc/59/58/65/346595865.db2.gz GNGXLMFKOQFRDP-UHFFFAOYSA-N 1 2 168.244 1.083 10 0 ADAELO CCC(CC)[NH2+]Cc1cn[nH]n1 398340708 346595868 /nfs/dbraw/zinc/59/58/68/346595868.db2.gz GNGXLMFKOQFRDP-UHFFFAOYSA-N 1 2 168.244 1.083 10 0 ADAELO CC(C)C1CC([NH2+]Cc2c[nH]nn2)C1 398274702 346595874 /nfs/dbraw/zinc/59/58/74/346595874.db2.gz CALKJTWUTYUDSL-UHFFFAOYSA-N 1 2 194.282 1.329 10 0 ADAELO CC(C)C1CC([NH2+]Cc2cn[nH]n2)C1 398274702 346595875 /nfs/dbraw/zinc/59/58/75/346595875.db2.gz CALKJTWUTYUDSL-UHFFFAOYSA-N 1 2 194.282 1.329 10 0 ADAELO CC(C)CCC[NH2+]Cc1cn[nH]n1 398403614 346596288 /nfs/dbraw/zinc/59/62/88/346596288.db2.gz NVNQJTJKRXOKOW-UHFFFAOYSA-N 1 2 182.271 1.331 10 0 ADAELO CCCC[C@H](CC)[NH2+]Cc1c[nH]nn1 398398948 346596369 /nfs/dbraw/zinc/59/63/69/346596369.db2.gz MUJGOAGSRPWFOE-VIFPVBQESA-N 1 2 196.298 1.863 10 0 ADAELO CCCC[C@H](CC)[NH2+]Cc1cn[nH]n1 398398948 346596372 /nfs/dbraw/zinc/59/63/72/346596372.db2.gz MUJGOAGSRPWFOE-VIFPVBQESA-N 1 2 196.298 1.863 10 0 ADAELO CC[C@H]([NH2+]Cc1c[nH]nn1)[C@@H]1C[C@@H]1C 398396941 346596440 /nfs/dbraw/zinc/59/64/40/346596440.db2.gz LLOUOLWUNFBSJW-SFGNSQDASA-N 1 2 194.282 1.329 10 0 ADAELO CC[C@H]([NH2+]Cc1cn[nH]n1)[C@@H]1C[C@@H]1C 398396941 346596442 /nfs/dbraw/zinc/59/64/42/346596442.db2.gz LLOUOLWUNFBSJW-SFGNSQDASA-N 1 2 194.282 1.329 10 0 ADAELO CCCC[C@@H](CC)[NH2+]Cc1c[nH]nn1 398398944 346596502 /nfs/dbraw/zinc/59/65/02/346596502.db2.gz MUJGOAGSRPWFOE-SECBINFHSA-N 1 2 196.298 1.863 10 0 ADAELO CCCC[C@@H](CC)[NH2+]Cc1cn[nH]n1 398398944 346596504 /nfs/dbraw/zinc/59/65/04/346596504.db2.gz MUJGOAGSRPWFOE-SECBINFHSA-N 1 2 196.298 1.863 10 0 ADAELO C[C@H](C[NH2+]Cc1c[nH]nn1)C(C)(C)C 398407593 346596568 /nfs/dbraw/zinc/59/65/68/346596568.db2.gz QWVXTRLGINQPJP-MRVPVSSYSA-N 1 2 196.298 1.577 10 0 ADAELO C[C@H](C[NH2+]Cc1cn[nH]n1)C(C)(C)C 398407593 346596570 /nfs/dbraw/zinc/59/65/70/346596570.db2.gz QWVXTRLGINQPJP-MRVPVSSYSA-N 1 2 196.298 1.577 10 0 ADAELO CC[C@H]([NH2+]Cc1c[nH]nn1)C1CCC1 398411904 346596576 /nfs/dbraw/zinc/59/65/76/346596576.db2.gz RFWGLJKYKLPMOV-JTQLQIEISA-N 1 2 194.282 1.473 10 0 ADAELO CC[C@H]([NH2+]Cc1cn[nH]n1)C1CCC1 398411904 346596577 /nfs/dbraw/zinc/59/65/77/346596577.db2.gz RFWGLJKYKLPMOV-JTQLQIEISA-N 1 2 194.282 1.473 10 0 ADAELO CC[C@H]([NH2+]Cc1cn[nH]n1)[C@@H]1C[C@H]1C 398396938 346596594 /nfs/dbraw/zinc/59/65/94/346596594.db2.gz LLOUOLWUNFBSJW-QNSHHTMESA-N 1 2 194.282 1.329 10 0 ADAELO CC[C@@H]([NH2+]Cc1c[nH]nn1)C1CCC1 398411907 346596605 /nfs/dbraw/zinc/59/66/05/346596605.db2.gz RFWGLJKYKLPMOV-SNVBAGLBSA-N 1 2 194.282 1.473 10 0 ADAELO CC[C@@H]([NH2+]Cc1cn[nH]n1)C1CCC1 398411907 346596607 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1 2 196.298 1.863 10 0 ADAELO C/C=C\CNc1cc(C)[nH+]cc1C#N 399530792 346598607 /nfs/dbraw/zinc/59/86/07/346598607.db2.gz UVPMNERBQPBPCZ-ARJAWSKDSA-N 1 2 187.246 1.672 10 0 ADAELO CCOC(=O)C[N@H+](C)CC1=CCCC1 401044392 346602588 /nfs/dbraw/zinc/60/25/88/346602588.db2.gz ACJIBQMJOWRLNY-UHFFFAOYSA-N 1 2 197.278 1.592 10 0 ADAELO CCOC(=O)C[N@@H+](C)CC1=CCCC1 401044392 346602594 /nfs/dbraw/zinc/60/25/94/346602594.db2.gz ACJIBQMJOWRLNY-UHFFFAOYSA-N 1 2 197.278 1.592 10 0 ADAELO C[NH2+][C@@]1(C(F)F)CC[C@H](C)OC1 401444469 346607835 /nfs/dbraw/zinc/60/78/35/346607835.db2.gz HWKLQMFWBARFMF-XPUUQOCRSA-N 1 2 179.210 1.409 10 0 ADAELO C[NH2+][C@]1(C(F)F)CC[C@@H](C)OC1 401444466 346607906 /nfs/dbraw/zinc/60/79/06/346607906.db2.gz HWKLQMFWBARFMF-HTRCEHHLSA-N 1 2 179.210 1.409 10 0 ADAELO C[NH2+][C@]1(C(F)F)CC[C@H](C)OC1 401444467 346608033 /nfs/dbraw/zinc/60/80/33/346608033.db2.gz HWKLQMFWBARFMF-POYBYMJQSA-N 1 2 179.210 1.409 10 0 ADAELO C[NH2+][C@@]1(C(F)F)CC[C@@H](C)OC1 401444468 346608055 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QUIRQNOPTHHOFE-MRVPVSSYSA-N 1 2 180.255 1.350 10 0 ADAELO CC(C)[N@H+]1CCC[C@@H]1c1nnc[nH]1 616607257 347112026 /nfs/dbraw/zinc/11/20/26/347112026.db2.gz QUIRQNOPTHHOFE-MRVPVSSYSA-N 1 2 180.255 1.350 10 0 ADAELO CC(C)[N@@H+]1CCC[C@@H]1c1nc[nH]n1 616607257 347112028 /nfs/dbraw/zinc/11/20/28/347112028.db2.gz QUIRQNOPTHHOFE-MRVPVSSYSA-N 1 2 180.255 1.350 10 0 ADAELO CC(C)[N@H+]1CCC[C@@H]1c1nc[nH]n1 616607257 347112029 /nfs/dbraw/zinc/11/20/29/347112029.db2.gz QUIRQNOPTHHOFE-MRVPVSSYSA-N 1 2 180.255 1.350 10 0 ADAELO COC(=O)N1CCC[C@H]1c1c[nH+]c[nH]1 616607375 347112859 /nfs/dbraw/zinc/11/28/59/347112859.db2.gz OZXQODWQNDBPGC-QMMMGPOBSA-N 1 2 195.222 1.313 10 0 ADAELO COC(=O)N1CCC[C@H]1c1c[nH]c[nH+]1 616607375 347112860 /nfs/dbraw/zinc/11/28/60/347112860.db2.gz OZXQODWQNDBPGC-QMMMGPOBSA-N 1 2 195.222 1.313 10 0 ADAELO C[N@@H+]1CCC[C@@H]1OC(F)(F)F 616607419 347113051 /nfs/dbraw/zinc/11/30/51/347113051.db2.gz TYZZKHXJOZAUQA-YFKPBYRVSA-N 1 2 169.146 1.575 10 0 ADAELO C[N@H+]1CCC[C@@H]1OC(F)(F)F 616607419 347113052 /nfs/dbraw/zinc/11/30/52/347113052.db2.gz TYZZKHXJOZAUQA-YFKPBYRVSA-N 1 2 169.146 1.575 10 0 ADAELO C[N@@H+]1CCC[C@H]1OC(F)(F)F 616607496 347113101 /nfs/dbraw/zinc/11/31/01/347113101.db2.gz TYZZKHXJOZAUQA-RXMQYKEDSA-N 1 2 169.146 1.575 10 0 ADAELO C[N@H+]1CCC[C@H]1OC(F)(F)F 616607496 347113105 /nfs/dbraw/zinc/11/31/05/347113105.db2.gz TYZZKHXJOZAUQA-RXMQYKEDSA-N 1 2 169.146 1.575 10 0 ADAELO COC(=O)N1CCC[C@@H]1c1c[nH+]c[nH]1 616607302 347113182 /nfs/dbraw/zinc/11/31/82/347113182.db2.gz OZXQODWQNDBPGC-MRVPVSSYSA-N 1 2 195.222 1.313 10 0 ADAELO COC(=O)N1CCC[C@@H]1c1c[nH]c[nH+]1 616607302 347113185 /nfs/dbraw/zinc/11/31/85/347113185.db2.gz OZXQODWQNDBPGC-MRVPVSSYSA-N 1 2 195.222 1.313 10 0 ADAELO CC(C)(C)[N@@H+]1CCC[C@H]1c1nc[nH]n1 616608201 347113801 /nfs/dbraw/zinc/11/38/01/347113801.db2.gz NYPOWVPVCPYMOV-QMMMGPOBSA-N 1 2 194.282 1.740 10 0 ADAELO CC(C)(C)[N@H+]1CCC[C@H]1c1nc[nH]n1 616608201 347113803 /nfs/dbraw/zinc/11/38/03/347113803.db2.gz NYPOWVPVCPYMOV-QMMMGPOBSA-N 1 2 194.282 1.740 10 0 ADAELO CC(C)(C)[N@@H+]1CCC[C@@H]1c1nc[nH]n1 616608250 347113909 /nfs/dbraw/zinc/11/39/09/347113909.db2.gz NYPOWVPVCPYMOV-MRVPVSSYSA-N 1 2 194.282 1.740 10 0 ADAELO CC(C)(C)[N@H+]1CCC[C@@H]1c1nc[nH]n1 616608250 347113910 /nfs/dbraw/zinc/11/39/10/347113910.db2.gz NYPOWVPVCPYMOV-MRVPVSSYSA-N 1 2 194.282 1.740 10 0 ADAELO CC(C)[N@H+]1CCC[C@H]1c1nc[nH]n1 616608262 347114095 /nfs/dbraw/zinc/11/40/95/347114095.db2.gz QUIRQNOPTHHOFE-QMMMGPOBSA-N 1 2 180.255 1.350 10 0 ADAELO CC(C)[N@@H+]1CCC[C@H]1c1nnc[nH]1 616608262 347114086 /nfs/dbraw/zinc/11/40/86/347114086.db2.gz QUIRQNOPTHHOFE-QMMMGPOBSA-N 1 2 180.255 1.350 10 0 ADAELO CC(C)[N@H+]1CCC[C@H]1c1nnc[nH]1 616608262 347114089 /nfs/dbraw/zinc/11/40/89/347114089.db2.gz QUIRQNOPTHHOFE-QMMMGPOBSA-N 1 2 180.255 1.350 10 0 ADAELO CC(C)[N@@H+]1CCC[C@H]1c1nc[nH]n1 616608262 347114092 /nfs/dbraw/zinc/11/40/92/347114092.db2.gz QUIRQNOPTHHOFE-QMMMGPOBSA-N 1 2 180.255 1.350 10 0 ADAELO CC(=O)N1CCC[C@H]1c1c[nH+]c[nH]1 616610086 347114903 /nfs/dbraw/zinc/11/49/03/347114903.db2.gz MCFCYRXBTKBLET-VIFPVBQESA-N 1 2 179.223 1.093 10 0 ADAELO CC(=O)N1CCC[C@H]1c1c[nH]c[nH+]1 616610086 347114904 /nfs/dbraw/zinc/11/49/04/347114904.db2.gz MCFCYRXBTKBLET-VIFPVBQESA-N 1 2 179.223 1.093 10 0 ADAELO CC(C)[N@@H+]1CCCC[C@@H]1c1cn[nH]n1 616613811 347119492 /nfs/dbraw/zinc/11/94/92/347119492.db2.gz BIFUKPJNTWZSNY-SNVBAGLBSA-N 1 2 194.282 1.740 10 0 ADAELO CC(C)[N@H+]1CCCC[C@@H]1c1cn[nH]n1 616613811 347119493 /nfs/dbraw/zinc/11/94/93/347119493.db2.gz BIFUKPJNTWZSNY-SNVBAGLBSA-N 1 2 194.282 1.740 10 0 ADAELO CC[N@@H+]1CCCC[C@@H]1c1c[nH]nn1 616614174 347119950 /nfs/dbraw/zinc/11/99/50/347119950.db2.gz JYIQCAJBKJWUAP-SECBINFHSA-N 1 2 180.255 1.352 10 0 ADAELO CC[N@H+]1CCCC[C@@H]1c1c[nH]nn1 616614174 347119955 /nfs/dbraw/zinc/11/99/55/347119955.db2.gz JYIQCAJBKJWUAP-SECBINFHSA-N 1 2 180.255 1.352 10 0 ADAELO CC[N@@H+]1CCCC[C@@H]1c1cnn[nH]1 616614174 347119957 /nfs/dbraw/zinc/11/99/57/347119957.db2.gz JYIQCAJBKJWUAP-SECBINFHSA-N 1 2 180.255 1.352 10 0 ADAELO CC[N@H+]1CCCC[C@@H]1c1cnn[nH]1 616614174 347119960 /nfs/dbraw/zinc/11/99/60/347119960.db2.gz JYIQCAJBKJWUAP-SECBINFHSA-N 1 2 180.255 1.352 10 0 ADAELO CC[N@@H+]1CCCC[C@@H]1c1cn[nH]n1 616614174 347119964 /nfs/dbraw/zinc/11/99/64/347119964.db2.gz JYIQCAJBKJWUAP-SECBINFHSA-N 1 2 180.255 1.352 10 0 ADAELO CC[N@H+]1CCCC[C@@H]1c1cn[nH]n1 616614174 347119968 /nfs/dbraw/zinc/11/99/68/347119968.db2.gz JYIQCAJBKJWUAP-SECBINFHSA-N 1 2 180.255 1.352 10 0 ADAELO CC(=O)N1CCCC[C@@H]1c1c[nH+]c[nH]1 616614415 347120574 /nfs/dbraw/zinc/12/05/74/347120574.db2.gz FANQFPKCAVNJNI-SNVBAGLBSA-N 1 2 193.250 1.483 10 0 ADAELO CC(=O)N1CCCC[C@@H]1c1c[nH]c[nH+]1 616614415 347120576 /nfs/dbraw/zinc/12/05/76/347120576.db2.gz FANQFPKCAVNJNI-SNVBAGLBSA-N 1 2 193.250 1.483 10 0 ADAELO CC(C)[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 616614477 347120633 /nfs/dbraw/zinc/12/06/33/347120633.db2.gz QHWOZQBJKVYBPS-SECBINFHSA-N 1 2 194.282 1.740 10 0 ADAELO CC(C)[N@H+]1CCCC[C@@H]1c1nnc[nH]1 616614477 347120634 /nfs/dbraw/zinc/12/06/34/347120634.db2.gz QHWOZQBJKVYBPS-SECBINFHSA-N 1 2 194.282 1.740 10 0 ADAELO CC(C)[N@@H+]1CCCC[C@@H]1c1nc[nH]n1 616614477 347120636 /nfs/dbraw/zinc/12/06/36/347120636.db2.gz QHWOZQBJKVYBPS-SECBINFHSA-N 1 2 194.282 1.740 10 0 ADAELO CC(C)[N@H+]1CCCC[C@@H]1c1nc[nH]n1 616614477 347120638 /nfs/dbraw/zinc/12/06/38/347120638.db2.gz QHWOZQBJKVYBPS-SECBINFHSA-N 1 2 194.282 1.740 10 0 ADAELO CC[N@H+]1CCCC[C@H]1c1cn[nH]n1 616615423 347122101 /nfs/dbraw/zinc/12/21/01/347122101.db2.gz JYIQCAJBKJWUAP-VIFPVBQESA-N 1 2 180.255 1.352 10 0 ADAELO CC(C)[N@@H+]1CCCC[C@H]1c1nnc[nH]1 616615745 347121712 /nfs/dbraw/zinc/12/17/12/347121712.db2.gz QHWOZQBJKVYBPS-VIFPVBQESA-N 1 2 194.282 1.740 10 0 ADAELO CC(C)[N@H+]1CCCC[C@H]1c1nnc[nH]1 616615745 347121714 /nfs/dbraw/zinc/12/17/14/347121714.db2.gz QHWOZQBJKVYBPS-VIFPVBQESA-N 1 2 194.282 1.740 10 0 ADAELO CC(C)[N@@H+]1CCCC[C@H]1c1nc[nH]n1 616615745 347121719 /nfs/dbraw/zinc/12/17/19/347121719.db2.gz QHWOZQBJKVYBPS-VIFPVBQESA-N 1 2 194.282 1.740 10 0 ADAELO CC(C)[N@H+]1CCCC[C@H]1c1nc[nH]n1 616615745 347121720 /nfs/dbraw/zinc/12/17/20/347121720.db2.gz QHWOZQBJKVYBPS-VIFPVBQESA-N 1 2 194.282 1.740 10 0 ADAELO CC(C)[N@@H+]1CCCC[C@H]1c1cn[nH]n1 616615074 347121974 /nfs/dbraw/zinc/12/19/74/347121974.db2.gz BIFUKPJNTWZSNY-JTQLQIEISA-N 1 2 194.282 1.740 10 0 ADAELO CC(C)[N@H+]1CCCC[C@H]1c1cn[nH]n1 616615074 347121976 /nfs/dbraw/zinc/12/19/76/347121976.db2.gz BIFUKPJNTWZSNY-JTQLQIEISA-N 1 2 194.282 1.740 10 0 ADAELO CC(=O)N1CCCC[C@H]1c1c[nH+]c[nH]1 616615652 347122043 /nfs/dbraw/zinc/12/20/43/347122043.db2.gz FANQFPKCAVNJNI-JTQLQIEISA-N 1 2 193.250 1.483 10 0 ADAELO CC(=O)N1CCCC[C@H]1c1c[nH]c[nH+]1 616615652 347122046 /nfs/dbraw/zinc/12/20/46/347122046.db2.gz FANQFPKCAVNJNI-JTQLQIEISA-N 1 2 193.250 1.483 10 0 ADAELO NC(=O)N1CCCC[C@@H]1c1c[nH+]c[nH]1 616615567 347122061 /nfs/dbraw/zinc/12/20/61/347122061.db2.gz QAHQURJUXDTBQW-MRVPVSSYSA-N 1 2 194.238 1.015 10 0 ADAELO NC(=O)N1CCCC[C@@H]1c1c[nH]c[nH+]1 616615567 347122064 /nfs/dbraw/zinc/12/20/64/347122064.db2.gz QAHQURJUXDTBQW-MRVPVSSYSA-N 1 2 194.238 1.015 10 0 ADAELO CC[N@@H+]1CCCC[C@H]1c1c[nH]nn1 616615423 347122091 /nfs/dbraw/zinc/12/20/91/347122091.db2.gz JYIQCAJBKJWUAP-VIFPVBQESA-N 1 2 180.255 1.352 10 0 ADAELO CC[N@H+]1CCCC[C@H]1c1c[nH]nn1 616615423 347122093 /nfs/dbraw/zinc/12/20/93/347122093.db2.gz JYIQCAJBKJWUAP-VIFPVBQESA-N 1 2 180.255 1.352 10 0 ADAELO CC[N@@H+]1CCCC[C@H]1c1cnn[nH]1 616615423 347122095 /nfs/dbraw/zinc/12/20/95/347122095.db2.gz JYIQCAJBKJWUAP-VIFPVBQESA-N 1 2 180.255 1.352 10 0 ADAELO CC[N@H+]1CCCC[C@H]1c1cnn[nH]1 616615423 347122098 /nfs/dbraw/zinc/12/20/98/347122098.db2.gz JYIQCAJBKJWUAP-VIFPVBQESA-N 1 2 180.255 1.352 10 0 ADAELO CC[N@@H+]1CCCC[C@H]1c1cn[nH]n1 616615423 347122099 /nfs/dbraw/zinc/12/20/99/347122099.db2.gz JYIQCAJBKJWUAP-VIFPVBQESA-N 1 2 180.255 1.352 10 0 ADAELO NC(=O)N1CCCC[C@H]1c1c[nH+]c[nH]1 616616254 347123073 /nfs/dbraw/zinc/12/30/73/347123073.db2.gz QAHQURJUXDTBQW-QMMMGPOBSA-N 1 2 194.238 1.015 10 0 ADAELO NC(=O)N1CCCC[C@H]1c1c[nH]c[nH+]1 616616254 347123076 /nfs/dbraw/zinc/12/30/76/347123076.db2.gz QAHQURJUXDTBQW-QMMMGPOBSA-N 1 2 194.238 1.015 10 0 ADAELO C[N@H+]1CCCCC[C@H]1c1nc[nH]n1 616621022 347127224 /nfs/dbraw/zinc/12/72/24/347127224.db2.gz JOZFZMAVXHIYJP-QMMMGPOBSA-N 1 2 180.255 1.352 10 0 ADAELO CC(=O)N1CCC[C@H](c2c[nH+]c[nH]2)C1 616621579 347126905 /nfs/dbraw/zinc/12/69/05/347126905.db2.gz SZDGGYUNSRAQMU-VIFPVBQESA-N 1 2 193.250 1.136 10 0 ADAELO CC(=O)N1CCC[C@H](c2c[nH]c[nH+]2)C1 616621579 347126907 /nfs/dbraw/zinc/12/69/07/347126907.db2.gz SZDGGYUNSRAQMU-VIFPVBQESA-N 1 2 193.250 1.136 10 0 ADAELO C[N@@H+]1CCCCC[C@H]1c1cnn[nH]1 616620943 347126952 /nfs/dbraw/zinc/12/69/52/347126952.db2.gz IFYTWNUZDSESAD-VIFPVBQESA-N 1 2 180.255 1.352 10 0 ADAELO C[N@H+]1CCCCC[C@H]1c1cnn[nH]1 616620943 347126955 /nfs/dbraw/zinc/12/69/55/347126955.db2.gz IFYTWNUZDSESAD-VIFPVBQESA-N 1 2 180.255 1.352 10 0 ADAELO C[N@@H+]1CCCCC[C@H]1c1cn[nH]n1 616620943 347126958 /nfs/dbraw/zinc/12/69/58/347126958.db2.gz IFYTWNUZDSESAD-VIFPVBQESA-N 1 2 180.255 1.352 10 0 ADAELO C[N@H+]1CCCCC[C@H]1c1cn[nH]n1 616620943 347126959 /nfs/dbraw/zinc/12/69/59/347126959.db2.gz IFYTWNUZDSESAD-VIFPVBQESA-N 1 2 180.255 1.352 10 0 ADAELO C[N@@H+]1CCCCC[C@H]1c1nnc[nH]1 616621022 347127212 /nfs/dbraw/zinc/12/72/12/347127212.db2.gz JOZFZMAVXHIYJP-QMMMGPOBSA-N 1 2 180.255 1.352 10 0 ADAELO C[N@H+]1CCCCC[C@H]1c1nnc[nH]1 616621022 347127216 /nfs/dbraw/zinc/12/72/16/347127216.db2.gz JOZFZMAVXHIYJP-QMMMGPOBSA-N 1 2 180.255 1.352 10 0 ADAELO C[N@@H+]1CCCCC[C@H]1c1nc[nH]n1 616621022 347127221 /nfs/dbraw/zinc/12/72/21/347127221.db2.gz JOZFZMAVXHIYJP-QMMMGPOBSA-N 1 2 180.255 1.352 10 0 ADAELO CC(=O)N1CCC[C@@H](c2c[nH+]c[nH]2)C1 616620804 347127401 /nfs/dbraw/zinc/12/74/01/347127401.db2.gz SZDGGYUNSRAQMU-SECBINFHSA-N 1 2 193.250 1.136 10 0 ADAELO CC(=O)N1CCC[C@@H](c2c[nH]c[nH+]2)C1 616620804 347127403 /nfs/dbraw/zinc/12/74/03/347127403.db2.gz SZDGGYUNSRAQMU-SECBINFHSA-N 1 2 193.250 1.136 10 0 ADAELO C[N@H+]1CCCCC[C@@H]1c1nnc[nH]1 616622876 347128427 /nfs/dbraw/zinc/12/84/27/347128427.db2.gz JOZFZMAVXHIYJP-MRVPVSSYSA-N 1 2 180.255 1.352 10 0 ADAELO CC[N@@H+]1CCCCC[C@H]1c1nnc[nH]1 616622457 347128343 /nfs/dbraw/zinc/12/83/43/347128343.db2.gz YZYDOBWDFAIUJJ-VIFPVBQESA-N 1 2 194.282 1.742 10 0 ADAELO CC[N@H+]1CCCCC[C@H]1c1nnc[nH]1 616622457 347128345 /nfs/dbraw/zinc/12/83/45/347128345.db2.gz YZYDOBWDFAIUJJ-VIFPVBQESA-N 1 2 194.282 1.742 10 0 ADAELO CC[N@@H+]1CCCCC[C@H]1c1nc[nH]n1 616622457 347128348 /nfs/dbraw/zinc/12/83/48/347128348.db2.gz YZYDOBWDFAIUJJ-VIFPVBQESA-N 1 2 194.282 1.742 10 0 ADAELO CC[N@H+]1CCCCC[C@H]1c1nc[nH]n1 616622457 347128350 /nfs/dbraw/zinc/12/83/50/347128350.db2.gz YZYDOBWDFAIUJJ-VIFPVBQESA-N 1 2 194.282 1.742 10 0 ADAELO C[N@@H+]1CCCCC[C@@H]1c1nnc[nH]1 616622876 347128423 /nfs/dbraw/zinc/12/84/23/347128423.db2.gz JOZFZMAVXHIYJP-MRVPVSSYSA-N 1 2 180.255 1.352 10 0 ADAELO C[N@@H+]1CCCCC[C@@H]1c1nc[nH]n1 616622876 347128429 /nfs/dbraw/zinc/12/84/29/347128429.db2.gz JOZFZMAVXHIYJP-MRVPVSSYSA-N 1 2 180.255 1.352 10 0 ADAELO C[N@H+]1CCCCC[C@@H]1c1nc[nH]n1 616622876 347128432 /nfs/dbraw/zinc/12/84/32/347128432.db2.gz JOZFZMAVXHIYJP-MRVPVSSYSA-N 1 2 180.255 1.352 10 0 ADAELO C[N@@H+]1CCCCC[C@@H]1c1cnn[nH]1 616622830 347128586 /nfs/dbraw/zinc/12/85/86/347128586.db2.gz IFYTWNUZDSESAD-SECBINFHSA-N 1 2 180.255 1.352 10 0 ADAELO C[N@H+]1CCCCC[C@@H]1c1cnn[nH]1 616622830 347128589 /nfs/dbraw/zinc/12/85/89/347128589.db2.gz IFYTWNUZDSESAD-SECBINFHSA-N 1 2 180.255 1.352 10 0 ADAELO C[N@@H+]1CCCCC[C@@H]1c1cn[nH]n1 616622830 347128592 /nfs/dbraw/zinc/12/85/92/347128592.db2.gz IFYTWNUZDSESAD-SECBINFHSA-N 1 2 180.255 1.352 10 0 ADAELO C[N@H+]1CCCCC[C@@H]1c1cn[nH]n1 616622830 347128594 /nfs/dbraw/zinc/12/85/94/347128594.db2.gz IFYTWNUZDSESAD-SECBINFHSA-N 1 2 180.255 1.352 10 0 ADAELO OCC[N@@H+]1CCCCC[C@@H]1C(F)F 616624095 347129029 /nfs/dbraw/zinc/12/90/29/347129029.db2.gz WSZUCVHNWZWKJL-MRVPVSSYSA-N 1 2 193.237 1.488 10 0 ADAELO OCC[N@H+]1CCCCC[C@@H]1C(F)F 616624095 347129032 /nfs/dbraw/zinc/12/90/32/347129032.db2.gz WSZUCVHNWZWKJL-MRVPVSSYSA-N 1 2 193.237 1.488 10 0 ADAELO CC[N@@H+]1CCCCC[C@@H]1c1nnc[nH]1 616624346 347129165 /nfs/dbraw/zinc/12/91/65/347129165.db2.gz YZYDOBWDFAIUJJ-SECBINFHSA-N 1 2 194.282 1.742 10 0 ADAELO CC[N@H+]1CCCCC[C@@H]1c1nnc[nH]1 616624346 347129167 /nfs/dbraw/zinc/12/91/67/347129167.db2.gz YZYDOBWDFAIUJJ-SECBINFHSA-N 1 2 194.282 1.742 10 0 ADAELO CC[N@@H+]1CCCCC[C@@H]1c1nc[nH]n1 616624346 347129169 /nfs/dbraw/zinc/12/91/69/347129169.db2.gz YZYDOBWDFAIUJJ-SECBINFHSA-N 1 2 194.282 1.742 10 0 ADAELO CC[N@H+]1CCCCC[C@@H]1c1nc[nH]n1 616624346 347129172 /nfs/dbraw/zinc/12/91/72/347129172.db2.gz YZYDOBWDFAIUJJ-SECBINFHSA-N 1 2 194.282 1.742 10 0 ADAELO OCC[N@@H+]1CCCCC[C@H]1C(F)F 616625812 347129300 /nfs/dbraw/zinc/12/93/00/347129300.db2.gz WSZUCVHNWZWKJL-QMMMGPOBSA-N 1 2 193.237 1.488 10 0 ADAELO OCC[N@H+]1CCCCC[C@H]1C(F)F 616625812 347129302 /nfs/dbraw/zinc/12/93/02/347129302.db2.gz WSZUCVHNWZWKJL-QMMMGPOBSA-N 1 2 193.237 1.488 10 0 ADAELO F[C@@H]1C[N@H+](Cc2ccccc2)CCN1 616632499 347133142 /nfs/dbraw/zinc/13/31/42/347133142.db2.gz PYVHUBPIFWGRPY-NSHDSACASA-N 1 2 194.253 1.387 10 0 ADAELO F[C@@H]1C[N@@H+](Cc2ccccc2)CCN1 616632499 347133145 /nfs/dbraw/zinc/13/31/45/347133145.db2.gz PYVHUBPIFWGRPY-NSHDSACASA-N 1 2 194.253 1.387 10 0 ADAELO CC(=O)N1CCC[C@@H]1c1c[nH+]c[nH]1 616633221 347134467 /nfs/dbraw/zinc/13/44/67/347134467.db2.gz MCFCYRXBTKBLET-SECBINFHSA-N 1 2 179.223 1.093 10 0 ADAELO CC(=O)N1CCC[C@@H]1c1c[nH]c[nH+]1 616633221 347134471 /nfs/dbraw/zinc/13/44/71/347134471.db2.gz MCFCYRXBTKBLET-SECBINFHSA-N 1 2 179.223 1.093 10 0 ADAELO F[C@H]1C[N@H+](Cc2ccccc2)CCN1 616633326 347135373 /nfs/dbraw/zinc/13/53/73/347135373.db2.gz PYVHUBPIFWGRPY-LLVKDONJSA-N 1 2 194.253 1.387 10 0 ADAELO F[C@H]1C[N@@H+](Cc2ccccc2)CCN1 616633326 347135374 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Cc1c[nH+]cc(NC[C@@H]2CCCO2)c1 232073491 351813908 /nfs/dbraw/zinc/81/39/08/351813908.db2.gz VKSMWLSNEWEWSH-NSHDSACASA-N 1 2 192.262 1.981 10 0 ADAELO Cc1c[nH+]cc(NC2CC2)c1 232073851 351813981 /nfs/dbraw/zinc/81/39/81/351813981.db2.gz MCQFPJCDXNFEKA-UHFFFAOYSA-N 1 2 148.209 1.964 10 0 ADAELO Cc1c[nH+]cc(NCc2cnco2)c1 232074229 351814131 /nfs/dbraw/zinc/81/41/31/351814131.db2.gz FPWGBUSGVRJRBE-UHFFFAOYSA-N 1 2 189.218 1.990 10 0 ADAELO C[C@H]([NH3+])c1n[nH]c([C@H]2CC2(C)C)n1 235519212 351816329 /nfs/dbraw/zinc/81/63/29/351816329.db2.gz GLJOHMMWQXOSLR-NTSWFWBYSA-N 1 2 180.255 1.338 10 0 ADAELO C[C@H]([NH3+])c1n[nH]c([C@@H]2CC2(C)C)n1 235518925 351816691 /nfs/dbraw/zinc/81/66/91/351816691.db2.gz GLJOHMMWQXOSLR-WDSKDSINSA-N 1 2 180.255 1.338 10 0 ADAELO Cc1cc(C[NH2+]CC(F)F)ccn1 235757877 351817218 /nfs/dbraw/zinc/81/72/18/351817218.db2.gz QOOOGUNFJCZGMG-UHFFFAOYSA-N 1 2 186.205 1.745 10 0 ADAELO Cc1ccc(NC2CC2)c[nH+]1 235883753 351817526 /nfs/dbraw/zinc/81/75/26/351817526.db2.gz JEHIOEXZNKOFTP-UHFFFAOYSA-N 1 2 148.209 1.964 10 0 ADAELO Cc1cc(N)nc([C@@H]2CC2(C)C)[nH+]1 235899366 351817996 /nfs/dbraw/zinc/81/79/96/351817996.db2.gz KODCCGAEHQMSCU-ZETCQYMHSA-N 1 2 177.251 1.881 10 0 ADAELO CC1=NN(C(C)(C)C)C(=O)C1C[NH3+] 257855805 351853109 /nfs/dbraw/zinc/85/31/09/351853109.db2.gz FVCLLKWELAWOQK-UHFFFAOYSA-N 1 2 183.255 1.111 10 0 ADAELO Cc1[nH]n(C(C)(C)C)c(=O)c1C[NH3+] 257855805 351853111 /nfs/dbraw/zinc/85/31/11/351853111.db2.gz FVCLLKWELAWOQK-UHFFFAOYSA-N 1 2 183.255 1.111 10 0 ADAELO Oc1ccccc1OCc1[nH]cc[nH+]1 257870822 351853234 /nfs/dbraw/zinc/85/32/34/351853234.db2.gz HZCDGDQSTCPMKM-UHFFFAOYSA-N 1 2 190.202 1.694 10 0 ADAELO Clc1ccnc(C[NH+]2CCCC2)n1 257866498 351853344 /nfs/dbraw/zinc/85/33/44/351853344.db2.gz SCPHSPYSSRLNKU-UHFFFAOYSA-N 1 2 197.669 1.726 10 0 ADAELO C[N@@H+]1CCC[C@H]1c1nc(C=O)cs1 257881523 351854070 /nfs/dbraw/zinc/85/40/70/351854070.db2.gz AJSHCMRRFBBRBW-QMMMGPOBSA-N 1 2 196.275 1.722 10 0 ADAELO C[N@H+]1CCC[C@H]1c1nc(C=O)cs1 257881523 351854073 /nfs/dbraw/zinc/85/40/73/351854073.db2.gz AJSHCMRRFBBRBW-QMMMGPOBSA-N 1 2 196.275 1.722 10 0 ADAELO C[N@@H+]1CCC[C@@H]1c1nc(C=O)cs1 257881520 351854114 /nfs/dbraw/zinc/85/41/14/351854114.db2.gz AJSHCMRRFBBRBW-MRVPVSSYSA-N 1 2 196.275 1.722 10 0 ADAELO C[N@H+]1CCC[C@@H]1c1nc(C=O)cs1 257881520 351854118 /nfs/dbraw/zinc/85/41/18/351854118.db2.gz AJSHCMRRFBBRBW-MRVPVSSYSA-N 1 2 196.275 1.722 10 0 ADAELO Nc1cc(C(F)(F)F)c(N)c[nH+]1 257911519 351854653 /nfs/dbraw/zinc/85/46/53/351854653.db2.gz QJCVGBLSGNSYAI-UHFFFAOYSA-N 1 2 177.129 1.265 10 0 ADAELO CCn1cc[nH+]c1CSC 257939973 351855388 /nfs/dbraw/zinc/85/53/88/351855388.db2.gz VEGCNPWLGPTMHW-UHFFFAOYSA-N 1 2 156.254 1.766 10 0 ADAELO O=C1CCC[N@@H+]([C@@H]2CCSC2)C1 257969318 351856060 /nfs/dbraw/zinc/85/60/60/351856060.db2.gz YJVUGTDIRNIWSC-MRVPVSSYSA-N 1 2 185.292 1.157 10 0 ADAELO O=C1CCC[N@H+]([C@@H]2CCSC2)C1 257969318 351856062 /nfs/dbraw/zinc/85/60/62/351856062.db2.gz YJVUGTDIRNIWSC-MRVPVSSYSA-N 1 2 185.292 1.157 10 0 ADAELO O=C1CCC[N@@H+]([C@H]2CCSC2)C1 257969320 351856079 /nfs/dbraw/zinc/85/60/79/351856079.db2.gz YJVUGTDIRNIWSC-QMMMGPOBSA-N 1 2 185.292 1.157 10 0 ADAELO O=C1CCC[N@H+]([C@H]2CCSC2)C1 257969320 351856080 /nfs/dbraw/zinc/85/60/80/351856080.db2.gz YJVUGTDIRNIWSC-QMMMGPOBSA-N 1 2 185.292 1.157 10 0 ADAELO CSCc1c[nH+]cn1C 258077746 351859151 /nfs/dbraw/zinc/85/91/51/351859151.db2.gz HFBCMQMRLPUKKA-UHFFFAOYSA-N 1 2 142.227 1.283 10 0 ADAELO C[N@@H+]1CCC[C@@H]1c1ncc(C=O)s1 258130972 351859557 /nfs/dbraw/zinc/85/95/57/351859557.db2.gz PFZFYUMWJCTDQW-MRVPVSSYSA-N 1 2 196.275 1.722 10 0 ADAELO C[N@H+]1CCC[C@@H]1c1ncc(C=O)s1 258130972 351859560 /nfs/dbraw/zinc/85/95/60/351859560.db2.gz PFZFYUMWJCTDQW-MRVPVSSYSA-N 1 2 196.275 1.722 10 0 ADAELO C[N@@H+]1CCC[C@H]1c1ncc(C=O)s1 258130977 351859848 /nfs/dbraw/zinc/85/98/48/351859848.db2.gz PFZFYUMWJCTDQW-QMMMGPOBSA-N 1 2 196.275 1.722 10 0 ADAELO C[N@H+]1CCC[C@H]1c1ncc(C=O)s1 258130977 351859850 /nfs/dbraw/zinc/85/98/50/351859850.db2.gz PFZFYUMWJCTDQW-QMMMGPOBSA-N 1 2 196.275 1.722 10 0 ADAELO CCCc1[nH+]c(CO)[nH]c1C 258500371 351863219 /nfs/dbraw/zinc/86/32/19/351863219.db2.gz DUQCQXOGWRUJRC-UHFFFAOYSA-N 1 2 154.213 1.163 10 0 ADAELO CCCc1[nH]c(CO)[nH+]c1C 258500371 351863220 /nfs/dbraw/zinc/86/32/20/351863220.db2.gz DUQCQXOGWRUJRC-UHFFFAOYSA-N 1 2 154.213 1.163 10 0 ADAELO Cc1[nH]c(CO)[nH+]c1C(C)(C)C 258652205 351865541 /nfs/dbraw/zinc/86/55/41/351865541.db2.gz ZOEKIDOEHZFQID-UHFFFAOYSA-N 1 2 168.240 1.508 10 0 ADAELO Cc1[nH+]c(CO)[nH]c1C(C)(C)C 258652205 351865543 /nfs/dbraw/zinc/86/55/43/351865543.db2.gz ZOEKIDOEHZFQID-UHFFFAOYSA-N 1 2 168.240 1.508 10 0 ADAELO NNc1nccc(C2CCC2)[nH+]1 259228466 351871252 /nfs/dbraw/zinc/87/12/52/351871252.db2.gz ASFMMWKOUUGJBQ-UHFFFAOYSA-N 1 2 164.212 1.030 10 0 ADAELO COc1cc[nH+]cc1C(C)(C)O 259418254 351874777 /nfs/dbraw/zinc/87/47/77/351874777.db2.gz SREXKNLIUJFWJL-UHFFFAOYSA-N 1 2 167.208 1.318 10 0 ADAELO Cc1csc(C(F)(F)C[NH3+])n1 259633143 351877411 /nfs/dbraw/zinc/87/74/11/351877411.db2.gz GCLAMZAASUAUMT-UHFFFAOYSA-N 1 2 178.207 1.502 10 0 ADAELO NNc1nccc(C2CCCC2)[nH+]1 259791212 351879528 /nfs/dbraw/zinc/87/95/28/351879528.db2.gz YMFPWPMTHCECPM-UHFFFAOYSA-N 1 2 178.239 1.420 10 0 ADAELO CCOC(=O)c1cc(N)cc(C)[nH+]1 259807528 351880156 /nfs/dbraw/zinc/88/01/56/351880156.db2.gz KSHWAOXVHWKMPF-UHFFFAOYSA-N 1 2 180.207 1.149 10 0 ADAELO Nc1cc(Cl)[nH+]c(N2CCC2)c1 259889984 351881171 /nfs/dbraw/zinc/88/11/71/351881171.db2.gz YZZRPLCPOJKCGG-UHFFFAOYSA-N 1 2 183.642 1.527 10 0 ADAELO COC(=O)[C@@H]([NH3+])c1ccsc1C 261161733 351889695 /nfs/dbraw/zinc/88/96/95/351889695.db2.gz WSXHJDOYVOGDRY-ZETCQYMHSA-N 1 2 185.248 1.229 10 0 ADAELO COC(=O)[C@H]([NH3+])c1ccsc1C 261161724 351889874 /nfs/dbraw/zinc/88/98/74/351889874.db2.gz WSXHJDOYVOGDRY-SSDOTTSWSA-N 1 2 185.248 1.229 10 0 ADAELO COC(=O)c1c(OC)cc[nH+]c1C 261278387 351890831 /nfs/dbraw/zinc/89/08/31/351890831.db2.gz SODGJBIBEBZPLH-UHFFFAOYSA-N 1 2 181.191 1.185 10 0 ADAELO CCOC(=O)c1c(OC)cc[nH+]c1C 261286042 351891156 /nfs/dbraw/zinc/89/11/56/351891156.db2.gz XOULEXROMIRIDO-UHFFFAOYSA-N 1 2 195.218 1.575 10 0 ADAELO C[C@@H]1COCC[C@H]1Nc1cccc[nH+]1 300896820 351898318 /nfs/dbraw/zinc/89/83/18/351898318.db2.gz ILDXBGYYPRMSMS-NXEZZACHSA-N 1 2 192.262 1.919 10 0 ADAELO C[C@@H]1COCC[C@@H]1Nc1cccc[nH+]1 300896823 351898358 /nfs/dbraw/zinc/89/83/58/351898358.db2.gz ILDXBGYYPRMSMS-ZJUUUORDSA-N 1 2 192.262 1.919 10 0 ADAELO Cc1nc([C@H]2CCC[N@H+]2C)no1 306147650 351899662 /nfs/dbraw/zinc/89/96/62/351899662.db2.gz ALWLWEJZUMSIGW-SSDOTTSWSA-N 1 2 167.212 1.145 10 0 ADAELO Cc1nc([C@H]2CCC[N@@H+]2C)no1 306147650 351899665 /nfs/dbraw/zinc/89/96/65/351899665.db2.gz ALWLWEJZUMSIGW-SSDOTTSWSA-N 1 2 167.212 1.145 10 0 ADAELO Cc1nc([C@@H]2CCC[N@H+]2C)no1 306147651 351900000 /nfs/dbraw/zinc/90/00/00/351900000.db2.gz ALWLWEJZUMSIGW-ZETCQYMHSA-N 1 2 167.212 1.145 10 0 ADAELO Cc1nc([C@@H]2CCC[N@@H+]2C)no1 306147651 351900003 /nfs/dbraw/zinc/90/00/03/351900003.db2.gz ALWLWEJZUMSIGW-ZETCQYMHSA-N 1 2 167.212 1.145 10 0 ADAELO C[C@@H]1CCS[C@H](c2cn(C)cn2)[NH2+]1 306156298 351901165 /nfs/dbraw/zinc/90/11/65/351901165.db2.gz ICVOHFBGEAACSU-VXNVDRBHSA-N 1 2 197.307 1.534 10 0 ADAELO C[C@H]1CCS[C@H](c2cn(C)cn2)[NH2+]1 306156297 351901465 /nfs/dbraw/zinc/90/14/65/351901465.db2.gz ICVOHFBGEAACSU-IONNQARKSA-N 1 2 197.307 1.534 10 0 ADAELO C[C@@H]1CCS[C@@H](c2cn(C)cn2)[NH2+]1 306156293 351901544 /nfs/dbraw/zinc/90/15/44/351901544.db2.gz ICVOHFBGEAACSU-APPZFPTMSA-N 1 2 197.307 1.534 10 0 ADAELO C[C@H]1CCS[C@@H](c2cn(C)cn2)[NH2+]1 306156295 351901626 /nfs/dbraw/zinc/90/16/26/351901626.db2.gz ICVOHFBGEAACSU-CBAPKCEASA-N 1 2 197.307 1.534 10 0 ADAELO CC1(C[NH+]2CC(F)C2)CCOCC1 306156976 351902619 /nfs/dbraw/zinc/90/26/19/351902619.db2.gz LSDZYOGGRQWMMZ-UHFFFAOYSA-N 1 2 187.258 1.457 10 0 ADAELO c1cnc(C[NH+]2CCSCC2)nc1 306160041 351903448 /nfs/dbraw/zinc/90/34/48/351903448.db2.gz OJULREYGGCVCQV-UHFFFAOYSA-N 1 2 195.291 1.025 10 0 ADAELO Cc1nc(NCC(C)(C)C)nc(N)[nH+]1 306213302 351907692 /nfs/dbraw/zinc/90/76/92/351907692.db2.gz UHUHWHNPUNBQLI-UHFFFAOYSA-N 1 2 195.270 1.220 10 0 ADAELO Cc1nc(N)nc(NCC(C)(C)C)[nH+]1 306213302 351907696 /nfs/dbraw/zinc/90/76/96/351907696.db2.gz UHUHWHNPUNBQLI-UHFFFAOYSA-N 1 2 195.270 1.220 10 0 ADAELO Cc1nc(N[C@H](C)C(C)C)nc(N)[nH+]1 306214225 351907968 /nfs/dbraw/zinc/90/79/68/351907968.db2.gz WZFCOZBZAIIDLN-ZCFIWIBFSA-N 1 2 195.270 1.219 10 0 ADAELO Cc1nc(N)nc(N[C@H](C)C(C)C)[nH+]1 306214225 351907970 /nfs/dbraw/zinc/90/79/70/351907970.db2.gz WZFCOZBZAIIDLN-ZCFIWIBFSA-N 1 2 195.270 1.219 10 0 ADAELO Cc1nc(N[C@@H](C)C(C)C)nc(N)[nH+]1 306214223 351908026 /nfs/dbraw/zinc/90/80/26/351908026.db2.gz WZFCOZBZAIIDLN-LURJTMIESA-N 1 2 195.270 1.219 10 0 ADAELO Cc1nc(N)nc(N[C@@H](C)C(C)C)[nH+]1 306214223 351908030 /nfs/dbraw/zinc/90/80/30/351908030.db2.gz WZFCOZBZAIIDLN-LURJTMIESA-N 1 2 195.270 1.219 10 0 ADAELO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]21)c1ncn[nH]1 306226811 351910470 /nfs/dbraw/zinc/91/04/70/351910470.db2.gz GRELSJZBABWKOY-UYXSQOIJSA-N 1 2 192.266 1.254 10 0 ADAELO C[C@@H]1C[C@H](Cn2cc[nH+]c2)CCO1 306232659 351911217 /nfs/dbraw/zinc/91/12/17/351911217.db2.gz AMZUJLRSCMNBDR-NXEZZACHSA-N 1 2 180.251 1.698 10 0 ADAELO C[C@@H]1C[C@@H](Cn2cc[nH+]c2)CCO1 306232670 351911489 /nfs/dbraw/zinc/91/14/89/351911489.db2.gz AMZUJLRSCMNBDR-ZJUUUORDSA-N 1 2 180.251 1.698 10 0 ADAELO OCC[N@@H+]1CCCC[C@H]1C(F)F 306272002 351913633 /nfs/dbraw/zinc/91/36/33/351913633.db2.gz WOWSHVYQVNAPMC-ZETCQYMHSA-N 1 2 179.210 1.098 10 0 ADAELO OCC[N@H+]1CCCC[C@H]1C(F)F 306272002 351913635 /nfs/dbraw/zinc/91/36/35/351913635.db2.gz WOWSHVYQVNAPMC-ZETCQYMHSA-N 1 2 179.210 1.098 10 0 ADAELO OCC[N@@H+]1CCCC[C@@H]1C(F)F 306272001 351913821 /nfs/dbraw/zinc/91/38/21/351913821.db2.gz WOWSHVYQVNAPMC-SSDOTTSWSA-N 1 2 179.210 1.098 10 0 ADAELO OCC[N@H+]1CCCC[C@@H]1C(F)F 306272001 351913825 /nfs/dbraw/zinc/91/38/25/351913825.db2.gz WOWSHVYQVNAPMC-SSDOTTSWSA-N 1 2 179.210 1.098 10 0 ADAELO CC(C)=CCNc1nc(C)[nH+]c(N)n1 306282434 351915780 /nfs/dbraw/zinc/91/57/80/351915780.db2.gz ANZFFWSENDQZPB-UHFFFAOYSA-N 1 2 193.254 1.140 10 0 ADAELO CC(C)=CCNc1nc(N)nc(C)[nH+]1 306282434 351915784 /nfs/dbraw/zinc/91/57/84/351915784.db2.gz ANZFFWSENDQZPB-UHFFFAOYSA-N 1 2 193.254 1.140 10 0 ADAELO Cc1nc(N[C@H]2CCC[C@@H]2O)cc[nH+]1 306353927 351922213 /nfs/dbraw/zinc/92/22/13/351922213.db2.gz BHVRTYLUNASERR-IUCAKERBSA-N 1 2 193.250 1.110 10 0 ADAELO C[C@@H]1C[C@H]1c1noc(C[NH+](C)C)n1 306422030 351927503 /nfs/dbraw/zinc/92/75/03/351927503.db2.gz AHZVZBSADUOKLS-RNFRBKRXSA-N 1 2 181.239 1.255 10 0 ADAELO C[C@@H]1C[C@@H]1c1noc(C[NH+](C)C)n1 306422032 351927685 /nfs/dbraw/zinc/92/76/85/351927685.db2.gz AHZVZBSADUOKLS-RQJHMYQMSA-N 1 2 181.239 1.255 10 0 ADAELO Nc1cc(Cl)[nH+]c(NCCF)c1 306452514 351932609 /nfs/dbraw/zinc/93/26/09/351932609.db2.gz GSYZPPAKGNQGGI-UHFFFAOYSA-N 1 2 189.621 1.699 10 0 ADAELO C[C@@H]1C[C@@H](C)[NH+]1Cc1csnn1 306494877 351937457 /nfs/dbraw/zinc/93/74/57/351937457.db2.gz BLJFKMIKNNVEKT-RNFRBKRXSA-N 1 2 183.280 1.521 10 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/nfs/dbraw/zinc/97/17/23/351971723.db2.gz KMDGVVHZDCKMEG-VXNVDRBHSA-N 1 2 185.292 1.013 10 0 ADAELO C[C@H]1CSC[C@H]1[N@@H+]1CCC(=O)C1 306883592 351971592 /nfs/dbraw/zinc/97/15/92/351971592.db2.gz KMDGVVHZDCKMEG-IONNQARKSA-N 1 2 185.292 1.013 10 0 ADAELO C[C@H]1CSC[C@H]1[N@H+]1CCC(=O)C1 306883592 351971597 /nfs/dbraw/zinc/97/15/97/351971597.db2.gz KMDGVVHZDCKMEG-IONNQARKSA-N 1 2 185.292 1.013 10 0 ADAELO C[C@@H]1CSC[C@@H]1[N@@H+]1CCC(=O)C1 306883588 351971710 /nfs/dbraw/zinc/97/17/10/351971710.db2.gz KMDGVVHZDCKMEG-APPZFPTMSA-N 1 2 185.292 1.013 10 0 ADAELO C[C@@H]1CSC[C@@H]1[N@H+]1CCC(=O)C1 306883588 351971712 /nfs/dbraw/zinc/97/17/12/351971712.db2.gz KMDGVVHZDCKMEG-APPZFPTMSA-N 1 2 185.292 1.013 10 0 ADAELO C[C@@H]1CSC[C@H]1[N@@H+]1CCC(=O)C1 306883594 351971720 /nfs/dbraw/zinc/97/17/20/351971720.db2.gz KMDGVVHZDCKMEG-VXNVDRBHSA-N 1 2 185.292 1.013 10 0 ADAELO C[C@H]1CSC[C@@H]1[N@@H+]1CCC(=O)C1 306883590 351971738 /nfs/dbraw/zinc/97/17/38/351971738.db2.gz KMDGVVHZDCKMEG-CBAPKCEASA-N 1 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351983763 /nfs/dbraw/zinc/98/37/63/351983763.db2.gz PTFAYSJEHSQBLP-RNFRBKRXSA-N 1 2 193.237 1.797 10 0 ADAELO C[C@@H]1C[N@H+](Cc2ncccn2)[C@@H]1C 307066929 351984536 /nfs/dbraw/zinc/98/45/36/351984536.db2.gz WUAOZWUYSHCKAP-RKDXNWHRSA-N 1 2 177.251 1.317 10 0 ADAELO C[C@@H]1C[N@@H+](Cc2ncccn2)[C@@H]1C 307066929 351984538 /nfs/dbraw/zinc/98/45/38/351984538.db2.gz WUAOZWUYSHCKAP-RKDXNWHRSA-N 1 2 177.251 1.317 10 0 ADAELO C[C@H]1C[N@H+](Cc2ncccn2)[C@@H]1C 307066927 351984770 /nfs/dbraw/zinc/98/47/70/351984770.db2.gz WUAOZWUYSHCKAP-DTWKUNHWSA-N 1 2 177.251 1.317 10 0 ADAELO C[C@H]1C[N@@H+](Cc2ncccn2)[C@@H]1C 307066927 351984771 /nfs/dbraw/zinc/98/47/71/351984771.db2.gz WUAOZWUYSHCKAP-DTWKUNHWSA-N 1 2 177.251 1.317 10 0 ADAELO C[C@H]1C[N@H+](Cc2ncccn2)[C@H]1C 307066928 351984856 /nfs/dbraw/zinc/98/48/56/351984856.db2.gz WUAOZWUYSHCKAP-IUCAKERBSA-N 1 2 177.251 1.317 10 0 ADAELO C[C@H]1C[N@@H+](Cc2ncccn2)[C@H]1C 307066928 351984858 /nfs/dbraw/zinc/98/48/58/351984858.db2.gz WUAOZWUYSHCKAP-IUCAKERBSA-N 1 2 177.251 1.317 10 0 ADAELO C[C@H]1[C@H](C)C[N@@H+]1Cc1ncccn1 307066926 351984888 /nfs/dbraw/zinc/98/48/88/351984888.db2.gz WUAOZWUYSHCKAP-BDAKNGLRSA-N 1 2 177.251 1.317 10 0 ADAELO C[C@H]1[C@H](C)C[N@H+]1Cc1ncccn1 307066926 351984892 /nfs/dbraw/zinc/98/48/92/351984892.db2.gz WUAOZWUYSHCKAP-BDAKNGLRSA-N 1 2 177.251 1.317 10 0 ADAELO CCC(CC)Nc1nc(C)[nH+]c(N)n1 307204275 351994216 /nfs/dbraw/zinc/99/42/16/351994216.db2.gz GHFYYBNPOJPPBO-UHFFFAOYSA-N 1 2 195.270 1.363 10 0 ADAELO CCC(CC)Nc1nc(N)nc(C)[nH+]1 307204275 351994219 /nfs/dbraw/zinc/99/42/19/351994219.db2.gz GHFYYBNPOJPPBO-UHFFFAOYSA-N 1 2 195.270 1.363 10 0 ADAELO c1cc(N2CCC2)nc(C2CC2)[nH+]1 307205167 351994272 /nfs/dbraw/zinc/99/42/72/351994272.db2.gz JKMOTBCHUYMPGI-UHFFFAOYSA-N 1 2 175.235 1.564 10 0 ADAELO Nc1cc(Cl)[nH+]c(N2CC=CC2)c1 307212527 351995587 /nfs/dbraw/zinc/99/55/87/351995587.db2.gz PFAYFJCTDBGLJN-UHFFFAOYSA-N 1 2 195.653 1.693 10 0 ADAELO CC/C=C/CNc1nc(C)[nH+]c(N)n1 307244153 351997768 /nfs/dbraw/zinc/99/77/68/351997768.db2.gz KZZZASDSRVEZEN-SNAWJCMRSA-N 1 2 193.254 1.140 10 0 ADAELO CC/C=C/CNc1nc(N)nc(C)[nH+]1 307244153 351997773 /nfs/dbraw/zinc/99/77/73/351997773.db2.gz KZZZASDSRVEZEN-SNAWJCMRSA-N 1 2 193.254 1.140 10 0 ADAELO c1cc(C[NH2+][C@@H]2CC23CCCC3)[nH]n1 307235645 351997940 /nfs/dbraw/zinc/99/79/40/351997940.db2.gz GKPWIECFFOAWHU-SNVBAGLBSA-N 1 2 191.278 1.832 10 0 ADAELO c1cc(C[NH2+][C@H]2CC23CCCC3)[nH]n1 307235639 351997972 /nfs/dbraw/zinc/99/79/72/351997972.db2.gz GKPWIECFFOAWHU-JTQLQIEISA-N 1 2 191.278 1.832 10 0 ADAELO Cc1nc(N2CCCC2)c(O)c[nH+]1 307274063 351999937 /nfs/dbraw/zinc/99/99/37/351999937.db2.gz YGISYYUKFXVHIR-UHFFFAOYSA-N 1 2 179.223 1.091 10 0 ADAELO Nc1cc(Cl)c2[nH+]ccn2c1 307410688 352010591 /nfs/dbraw/zinc/01/05/91/352010591.db2.gz FNNZBMMQNNOEME-UHFFFAOYSA-N 1 2 167.599 1.570 10 0 ADAELO CCC[C@H](C)Nc1nc(C)[nH+]c(N)n1 307565981 352022666 /nfs/dbraw/zinc/02/26/66/352022666.db2.gz GAFVXLJBGSDLNK-LURJTMIESA-N 1 2 195.270 1.363 10 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HBCCGLFDZOUHEP-NSCUHMNNSA-N 1 2 169.253 1.204 10 0 ADAELO c1cc(NC2CC2)nc(C2CC2)[nH+]1 307753738 352038792 /nfs/dbraw/zinc/03/87/92/352038792.db2.gz WXMOWTKFDKIHTG-UHFFFAOYSA-N 1 2 175.235 1.928 10 0 ADAELO Cc1cc(NCCCCF)nc[nH+]1 308132096 352043209 /nfs/dbraw/zinc/04/32/09/352043209.db2.gz KBZPKXPAGKUIPL-UHFFFAOYSA-N 1 2 183.230 1.947 10 0 ADAELO c1cn(Cc2ncc(C3CC3)o2)c[nH+]1 334168441 352057782 /nfs/dbraw/zinc/05/77/82/352057782.db2.gz AWFPGFXLXIVWDM-UHFFFAOYSA-N 1 2 189.218 1.797 10 0 ADAELO C[C@@H]1OCC[N@H+](Cc2cc[nH]n2)[C@H]1C 334394144 352067825 /nfs/dbraw/zinc/06/78/25/352067825.db2.gz BIAHXPQTSKLMGO-IUCAKERBSA-N 1 2 195.266 1.019 10 0 ADAELO C[C@@H]1OCC[N@@H+](Cc2cc[nH]n2)[C@H]1C 334394144 352067827 /nfs/dbraw/zinc/06/78/27/352067827.db2.gz BIAHXPQTSKLMGO-IUCAKERBSA-N 1 2 195.266 1.019 10 0 ADAELO Cc1cnc(C[N@H+]2C[C@H](C)[C@@H]2C)nc1 334454350 352070742 /nfs/dbraw/zinc/07/07/42/352070742.db2.gz FIBBPIXBTMLBNJ-UWVGGRQHSA-N 1 2 191.278 1.625 10 0 ADAELO Cc1cnc(C[N@@H+]2C[C@H](C)[C@@H]2C)nc1 334454350 352070745 /nfs/dbraw/zinc/07/07/45/352070745.db2.gz FIBBPIXBTMLBNJ-UWVGGRQHSA-N 1 2 191.278 1.625 10 0 ADAELO Cc1cnc(C[N@H+]2C[C@@H](C)[C@@H]2C)nc1 334454511 352070777 /nfs/dbraw/zinc/07/07/77/352070777.db2.gz FIBBPIXBTMLBNJ-ZJUUUORDSA-N 1 2 191.278 1.625 10 0 ADAELO Cc1cnc(C[N@@H+]2C[C@@H](C)[C@@H]2C)nc1 334454511 352070779 /nfs/dbraw/zinc/07/07/79/352070779.db2.gz FIBBPIXBTMLBNJ-ZJUUUORDSA-N 1 2 191.278 1.625 10 0 ADAELO Cc1cnc(C[N@H+]2C[C@@H](C)[C@H]2C)nc1 334454349 352070881 /nfs/dbraw/zinc/07/08/81/352070881.db2.gz FIBBPIXBTMLBNJ-NXEZZACHSA-N 1 2 191.278 1.625 10 0 ADAELO Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H]2C)nc1 334454349 352070882 /nfs/dbraw/zinc/07/08/82/352070882.db2.gz FIBBPIXBTMLBNJ-NXEZZACHSA-N 1 2 191.278 1.625 10 0 ADAELO Cc1cnc(C[N@H+]2C[C@H](C)[C@H]2C)nc1 334454352 352071194 /nfs/dbraw/zinc/07/11/94/352071194.db2.gz FIBBPIXBTMLBNJ-VHSXEESVSA-N 1 2 191.278 1.625 10 0 ADAELO Cc1cnc(C[N@@H+]2C[C@H](C)[C@H]2C)nc1 334454352 352071198 /nfs/dbraw/zinc/07/11/98/352071198.db2.gz FIBBPIXBTMLBNJ-VHSXEESVSA-N 1 2 191.278 1.625 10 0 ADAELO CCc1nnc(C[N@@H+]2C[C@H](C)[C@H]2C)o1 334460425 352071614 /nfs/dbraw/zinc/07/16/14/352071614.db2.gz NFMOKFDLTFALLB-JGVFFNPUSA-N 1 2 195.266 1.472 10 0 ADAELO CCc1nnc(C[N@H+]2C[C@H](C)[C@H]2C)o1 334460425 352071617 /nfs/dbraw/zinc/07/16/17/352071617.db2.gz NFMOKFDLTFALLB-JGVFFNPUSA-N 1 2 195.266 1.472 10 0 ADAELO CCc1nnc(C[N@@H+]2C[C@@H](C)[C@H]2C)o1 334460424 352071979 /nfs/dbraw/zinc/07/19/79/352071979.db2.gz NFMOKFDLTFALLB-HTQZYQBOSA-N 1 2 195.266 1.472 10 0 ADAELO CCc1nnc(C[N@H+]2C[C@@H](C)[C@H]2C)o1 334460424 352071981 /nfs/dbraw/zinc/07/19/81/352071981.db2.gz NFMOKFDLTFALLB-HTQZYQBOSA-N 1 2 195.266 1.472 10 0 ADAELO C[C@@]1(C(N)=O)CCCC[N@@H+]1CC(N)=O 334669441 352079228 /nfs/dbraw/zinc/07/92/28/352079228.db2.gz JFZDPDDUNWHXSW-VIFPVBQESA-N 1 2 199.254 1.302 10 0 ADAELO C[C@@]1(C(N)=O)CCCC[N@H+]1CC(N)=O 334669441 352079230 /nfs/dbraw/zinc/07/92/30/352079230.db2.gz JFZDPDDUNWHXSW-VIFPVBQESA-N 1 2 199.254 1.302 10 0 ADAELO c1ccc(N2C[C@@H]3C[C@H]2CS3)[nH+]c1 334820578 352082986 /nfs/dbraw/zinc/08/29/86/352082986.db2.gz ZPSLHCQSSLBSDH-IUCAKERBSA-N 1 2 192.287 1.776 10 0 ADAELO c1cc(N2CCCC2)nc(C2CC2)[nH+]1 334885644 352084416 /nfs/dbraw/zinc/08/44/16/352084416.db2.gz VIWXFTUIBNEYKV-UHFFFAOYSA-N 1 2 189.262 1.954 10 0 ADAELO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cn[nH]n1 335187319 352090694 /nfs/dbraw/zinc/09/06/94/352090694.db2.gz AKLLPPSGPPMUGM-MRVPVSSYSA-N 1 2 194.282 1.425 10 0 ADAELO C[C@@H]1CC(C)(C)C[N@H+]1Cc1cn[nH]n1 335187319 352090695 /nfs/dbraw/zinc/09/06/95/352090695.db2.gz AKLLPPSGPPMUGM-MRVPVSSYSA-N 1 2 194.282 1.425 10 0 ADAELO Cc1cc(N2CCC23CCC3)nc[nH+]1 335199783 352091254 /nfs/dbraw/zinc/09/12/54/352091254.db2.gz IBARDVPJXVDBNV-UHFFFAOYSA-N 1 2 189.262 1.918 10 0 ADAELO Cc1nc(N2CCC23CCC3)cc[nH+]1 335200521 352091278 /nfs/dbraw/zinc/09/12/78/352091278.db2.gz OWPAPUAFQGPTSV-UHFFFAOYSA-N 1 2 189.262 1.918 10 0 ADAELO c1snnc1C[N@@H+]1CCC12CCC2 335555498 352103468 /nfs/dbraw/zinc/10/34/68/352103468.db2.gz XCCMEJKCYOULOO-UHFFFAOYSA-N 1 2 195.291 1.667 10 0 ADAELO c1snnc1C[N@H+]1CCC12CCC2 335555498 352103469 /nfs/dbraw/zinc/10/34/69/352103469.db2.gz XCCMEJKCYOULOO-UHFFFAOYSA-N 1 2 195.291 1.667 10 0 ADAELO c1nnsc1C[N@@H+]1CCC12CCC2 335570303 352104285 /nfs/dbraw/zinc/10/42/85/352104285.db2.gz LTNWFVUPAJNMLR-UHFFFAOYSA-N 1 2 195.291 1.667 10 0 ADAELO c1nnsc1C[N@H+]1CCC12CCC2 335570303 352104286 /nfs/dbraw/zinc/10/42/86/352104286.db2.gz LTNWFVUPAJNMLR-UHFFFAOYSA-N 1 2 195.291 1.667 10 0 ADAELO c1coc(C[N@@H+]2C[C@@H]3CC[C@H](C2)O3)c1 335944901 352120335 /nfs/dbraw/zinc/12/03/35/352120335.db2.gz IOQBPCKNFAUJDM-PHIMTYICSA-N 1 2 193.246 1.643 10 0 ADAELO c1coc(C[N@H+]2C[C@@H]3CC[C@H](C2)O3)c1 335944901 352120338 /nfs/dbraw/zinc/12/03/38/352120338.db2.gz IOQBPCKNFAUJDM-PHIMTYICSA-N 1 2 193.246 1.643 10 0 ADAELO c1cnc(C[N@@H+]2CCC23CCC3)nc1 336085704 352124439 /nfs/dbraw/zinc/12/44/39/352124439.db2.gz JNDJKPBFTTUKHK-UHFFFAOYSA-N 1 2 189.262 1.605 10 0 ADAELO c1cnc(C[N@H+]2CCC23CCC3)nc1 336085704 352124444 /nfs/dbraw/zinc/12/44/44/352124444.db2.gz JNDJKPBFTTUKHK-UHFFFAOYSA-N 1 2 189.262 1.605 10 0 ADAELO C[C@@H]1C[C@@H](C)[NH+]1Cc1cnns1 336203915 352129126 /nfs/dbraw/zinc/12/91/26/352129126.db2.gz APHIFJVGRNJRBP-RNFRBKRXSA-N 1 2 183.280 1.521 10 0 ADAELO c1snnc1C[N@@H+]1CC[C@@H]1C1CC1 336216244 352130212 /nfs/dbraw/zinc/13/02/12/352130212.db2.gz MNYMSTDWVOGWEJ-SECBINFHSA-N 1 2 195.291 1.522 10 0 ADAELO c1snnc1C[N@H+]1CC[C@@H]1C1CC1 336216244 352130214 /nfs/dbraw/zinc/13/02/14/352130214.db2.gz MNYMSTDWVOGWEJ-SECBINFHSA-N 1 2 195.291 1.522 10 0 ADAELO c1snnc1C[N@@H+]1CC[C@H]1C1CC1 336216245 352130255 /nfs/dbraw/zinc/13/02/55/352130255.db2.gz MNYMSTDWVOGWEJ-VIFPVBQESA-N 1 2 195.291 1.522 10 0 ADAELO c1snnc1C[N@H+]1CC[C@H]1C1CC1 336216245 352130258 /nfs/dbraw/zinc/13/02/58/352130258.db2.gz MNYMSTDWVOGWEJ-VIFPVBQESA-N 1 2 195.291 1.522 10 0 ADAELO CC(C)=CC[N@@H+]1C[C@H](F)[C@H](F)C1 336269121 352133698 /nfs/dbraw/zinc/13/36/98/352133698.db2.gz KYNWYEYYQWKXQC-DTORHVGOSA-N 1 2 175.222 1.944 10 0 ADAELO CC(C)=CC[N@H+]1C[C@H](F)[C@H](F)C1 336269121 352133701 /nfs/dbraw/zinc/13/37/01/352133701.db2.gz KYNWYEYYQWKXQC-DTORHVGOSA-N 1 2 175.222 1.944 10 0 ADAELO C[C@@H]1C[N@H+](Cc2cnns2)[C@@H]1C 336265658 352133915 /nfs/dbraw/zinc/13/39/15/352133915.db2.gz GHYZERGTXDHCAP-RNFRBKRXSA-N 1 2 183.280 1.378 10 0 ADAELO C[C@@H]1C[N@@H+](Cc2cnns2)[C@@H]1C 336265658 352133919 /nfs/dbraw/zinc/13/39/19/352133919.db2.gz GHYZERGTXDHCAP-RNFRBKRXSA-N 1 2 183.280 1.378 10 0 ADAELO c1coc(C[N@@H+]2CCOCC23CC3)c1 336360192 352138397 /nfs/dbraw/zinc/13/83/97/352138397.db2.gz CUARPTVULRWAIB-UHFFFAOYSA-N 1 2 193.246 1.644 10 0 ADAELO c1coc(C[N@H+]2CCOCC23CC3)c1 336360192 352138400 /nfs/dbraw/zinc/13/84/00/352138400.db2.gz CUARPTVULRWAIB-UHFFFAOYSA-N 1 2 193.246 1.644 10 0 ADAELO c1cc(-n2cc[nH+]c2)nc(C2CC2)n1 336587657 352149433 /nfs/dbraw/zinc/14/94/33/352149433.db2.gz ZTJNGCAQGAYROJ-UHFFFAOYSA-N 1 2 186.218 1.540 10 0 ADAELO CC(F)(F)C1CCN([NH3+])CC1 409425392 352160795 /nfs/dbraw/zinc/16/07/95/352160795.db2.gz FQGZVGJHKGCTGT-UHFFFAOYSA-N 1 2 164.199 1.227 10 0 ADAELO c1ccc(NCC2COC2)[nH+]c1 527535117 352167030 /nfs/dbraw/zinc/16/70/30/352167030.db2.gz ZTSBCAZTWVLZHX-UHFFFAOYSA-N 1 2 164.208 1.140 10 0 ADAELO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccn[nH]1 527783559 352169971 /nfs/dbraw/zinc/16/99/71/352169971.db2.gz LZWRGTVPLZPUEH-ZJUUUORDSA-N 1 2 195.266 1.067 10 0 ADAELO COc1ccc[nH+]c1N1CC=CCC1 527952966 352174271 /nfs/dbraw/zinc/17/42/71/352174271.db2.gz HCWJOQDRCRUCRU-UHFFFAOYSA-N 1 2 190.246 1.857 10 0 ADAELO Cc1cc[nH+]cc1 575124270 352195746 /nfs/dbraw/zinc/19/57/46/352195746.db2.gz YASSJEIIZFGGTD-UHFFFAOYSA-N 1 2 93.129 1.162 10 0 in-vitro ADAELO c1ccc(N2CCCCC2)[nH+]c1 575180720 352196072 /nfs/dbraw/zinc/19/60/72/352196072.db2.gz UTGIBRNTWLWOSS-UHFFFAOYSA-N 1 2 162.236 1.586 10 0 ADAELO Cc1cccc(C)[nH+]1 575180727 352196108 /nfs/dbraw/zinc/19/61/08/352196108.db2.gz VHILRDBYGIAQAR-UHFFFAOYSA-N 1 2 107.156 1.552 10 0 ADAELO Fc1ccccc1C[NH+]1CCOCC1 575191156 352196249 /nfs/dbraw/zinc/19/62/49/352196249.db2.gz HSACTQQWXVNQMV-UHFFFAOYSA-N 1 2 194.229 1.471 10 0 ADAELO c1ccc(N2CCCC2)[nH+]c1 575180692 352196352 /nfs/dbraw/zinc/19/63/52/352196352.db2.gz NGKNRUKSOGJADN-UHFFFAOYSA-N 1 2 148.209 1.196 10 0 ADAELO Fc1cccc(C[NH+]2CCOCC2)c1 575191231 352196905 /nfs/dbraw/zinc/19/69/05/352196905.db2.gz STOKLHRITRLIHD-UHFFFAOYSA-N 1 2 194.229 1.471 10 0 ADAELO CC(C)OC(=O)[C@@H]([NH3+])Cc1ccco1 575407956 352197458 /nfs/dbraw/zinc/19/74/58/352197458.db2.gz ZYNQNPMDTUIUBT-VIFPVBQESA-N 1 2 197.234 1.101 10 0 ADAELO CC(C)OC(=O)[C@H]([NH3+])Cc1ccco1 575407955 352197608 /nfs/dbraw/zinc/19/76/08/352197608.db2.gz ZYNQNPMDTUIUBT-SECBINFHSA-N 1 2 197.234 1.101 10 0 ADAELO Cc1cc2c(c(C)[nH+]1)CC(=O)N2 575439063 352203870 /nfs/dbraw/zinc/20/38/70/352203870.db2.gz RJVAHJQQTJYGEE-UHFFFAOYSA-N 1 2 162.192 1.885 10 0 ADAELO O=C1CCC[C@H]1[NH+]1CC(C(F)F)C1 575449889 352208978 /nfs/dbraw/zinc/20/89/78/352208978.db2.gz VBWWKDDOBRLVJC-SSDOTTSWSA-N 1 2 189.205 1.305 10 0 ADAELO O=C1CCC[C@@H]1[NH+]1CC(C(F)F)C1 575449890 352209309 /nfs/dbraw/zinc/20/93/09/352209309.db2.gz VBWWKDDOBRLVJC-ZETCQYMHSA-N 1 2 189.205 1.305 10 0 ADAELO c1c[nH+]c2c(c1)C[C@]1(CC2)CO1 575450807 352210908 /nfs/dbraw/zinc/21/09/08/352210908.db2.gz JQPJMEXTJMEFNH-SNVBAGLBSA-N 1 2 161.204 1.339 10 0 ADAELO c1c[nH+]c2c(c1)C[C@@]1(CC2)CO1 575450805 352211155 /nfs/dbraw/zinc/21/11/55/352211155.db2.gz JQPJMEXTJMEFNH-JTQLQIEISA-N 1 2 161.204 1.339 10 0 ADAELO Cc1ncsc1[C@@H]([NH3+])c1ncc[nH]1 575451431 352214206 /nfs/dbraw/zinc/21/42/06/352214206.db2.gz VEBNWFFKYXXJOF-ZCFIWIBFSA-N 1 2 194.263 1.223 10 0 ADAELO Cc1ncsc1[C@H]([NH3+])c1ncc[nH]1 575451430 352214269 /nfs/dbraw/zinc/21/42/69/352214269.db2.gz VEBNWFFKYXXJOF-LURJTMIESA-N 1 2 194.263 1.223 10 0 ADAELO Cc1cc(-n2cc[nH+]c2)nc(F)n1 575451492 352214925 /nfs/dbraw/zinc/21/49/25/352214925.db2.gz JJJQZNVSCOAFOE-UHFFFAOYSA-N 1 2 178.170 1.110 10 0 ADAELO Nc1c[nH+]cc(N2CC=CCC2)c1 575451931 352215995 /nfs/dbraw/zinc/21/59/95/352215995.db2.gz GZWVAHDEAPSDSH-UHFFFAOYSA-N 1 2 175.235 1.430 10 0 ADAELO CCCNc1cc[nH+]nc1C 575452357 352218121 /nfs/dbraw/zinc/21/81/21/352218121.db2.gz YLECAPMCKCASBP-UHFFFAOYSA-N 1 2 151.213 1.607 10 0 ADAELO Nc1[nH]c(-c2ccc(Cl)cn2)c[nH+]1 575453670 352221395 /nfs/dbraw/zinc/22/13/95/352221395.db2.gz AGIVHYGWVYWCQH-UHFFFAOYSA-N 1 2 194.625 1.538 10 0 ADAELO [NH3+][C@H](c1cncs1)C(F)F 575454429 352224774 /nfs/dbraw/zinc/22/47/74/352224774.db2.gz OXEYNFZRVOOJBR-SCSAIBSYSA-N 1 2 164.180 1.408 10 0 ADAELO [NH3+][C@@H](c1cncs1)C(F)F 575454402 352224836 /nfs/dbraw/zinc/22/48/36/352224836.db2.gz OXEYNFZRVOOJBR-BYPYZUCNSA-N 1 2 164.180 1.408 10 0 ADAELO Fc1ccc([C@@H]2[NH2+]CCS2)nc1 575454761 352225485 /nfs/dbraw/zinc/22/54/85/352225485.db2.gz VTNBPCDDQJFPJB-MRVPVSSYSA-N 1 2 184.239 1.556 10 0 ADAELO Fc1ccc([C@H]2[NH2+]CCS2)nc1 575454763 352225496 /nfs/dbraw/zinc/22/54/96/352225496.db2.gz VTNBPCDDQJFPJB-QMMMGPOBSA-N 1 2 184.239 1.556 10 0 ADAELO C[NH2+]c1ccc(N)c(N)c1F 575455833 352227405 /nfs/dbraw/zinc/22/74/05/352227405.db2.gz JQTDQRYFBWQZEU-UHFFFAOYSA-N 1 2 155.176 1.032 10 0 ADAELO C[C@@H]([NH2+][C@H]1C=CCC1)C(F)F 575456168 352228899 /nfs/dbraw/zinc/22/88/99/352228899.db2.gz HONKTEDLFGDDQJ-RQJHMYQMSA-N 1 2 161.195 1.948 10 0 ADAELO C[C@@H]([NH2+][C@@H]1C=CCC1)C(F)F 575456167 352228999 /nfs/dbraw/zinc/22/89/99/352228999.db2.gz HONKTEDLFGDDQJ-RNFRBKRXSA-N 1 2 161.195 1.948 10 0 ADAELO C[C@H]([NH2+][C@@H]1C=CCC1)C(F)F 575456166 352229005 /nfs/dbraw/zinc/22/90/05/352229005.db2.gz HONKTEDLFGDDQJ-NKWVEPMBSA-N 1 2 161.195 1.948 10 0 ADAELO C[C@H]([NH2+][C@H]1C=CCC1)C(F)F 575456152 352229045 /nfs/dbraw/zinc/22/90/45/352229045.db2.gz HONKTEDLFGDDQJ-BQBZGAKWSA-N 1 2 161.195 1.948 10 0 ADAELO Cc1c(F)ncnc1-n1cc[nH+]c1 575456373 352229638 /nfs/dbraw/zinc/22/96/38/352229638.db2.gz TZLUQOZMXDHODJ-UHFFFAOYSA-N 1 2 178.170 1.110 10 0 ADAELO c1n[nH]cc1[C@H]1[NH2+]CCCS1 575456462 352230252 /nfs/dbraw/zinc/23/02/52/352230252.db2.gz OKMAEDOLOUBTGZ-ZETCQYMHSA-N 1 2 169.253 1.135 10 0 ADAELO c1n[nH]cc1[C@@H]1[NH2+]CCCS1 575456459 352230562 /nfs/dbraw/zinc/23/05/62/352230562.db2.gz OKMAEDOLOUBTGZ-SSDOTTSWSA-N 1 2 169.253 1.135 10 0 ADAELO Cn1c[nH+]cc1-c1ccc(N)cn1 575457618 352233249 /nfs/dbraw/zinc/23/32/49/352233249.db2.gz UHCLJGYYBQVBBZ-UHFFFAOYSA-N 1 2 174.207 1.064 10 0 ADAELO Cc1[nH]c(CNc2cnsc2)c[nH+]1 575457931 352234788 /nfs/dbraw/zinc/23/47/88/352234788.db2.gz OAVWCLHSTJUBOI-UHFFFAOYSA-N 1 2 194.263 1.787 10 0 ADAELO Cc1[nH]cc(CNc2cnsc2)[nH+]1 575457931 352234793 /nfs/dbraw/zinc/23/47/93/352234793.db2.gz OAVWCLHSTJUBOI-UHFFFAOYSA-N 1 2 194.263 1.787 10 0 ADAELO Cc1cnc(F)nc1-n1cc[nH+]c1 575458109 352235617 /nfs/dbraw/zinc/23/56/17/352235617.db2.gz JKEHCZZIIJVDNO-UHFFFAOYSA-N 1 2 178.170 1.110 10 0 ADAELO C[N@@H+]1CCC[C@](N)(c2cscn2)C1 575458308 352236012 /nfs/dbraw/zinc/23/60/12/352236012.db2.gz GUJRKALFUYUOIZ-SECBINFHSA-N 1 2 197.307 1.023 10 0 ADAELO C[N@H+]1CCC[C@](N)(c2cscn2)C1 575458308 352236015 /nfs/dbraw/zinc/23/60/15/352236015.db2.gz GUJRKALFUYUOIZ-SECBINFHSA-N 1 2 197.307 1.023 10 0 ADAELO [NH3+]C(c1ccsn1)c1ccsn1 575458273 352236062 /nfs/dbraw/zinc/23/60/62/352236062.db2.gz OAMDIJYZAQYOHK-UHFFFAOYSA-N 1 2 197.288 1.648 10 0 ADAELO CC(=O)[C@H](C)[N@@H+]1CCC[C@H](F)C1 575458298 352236137 /nfs/dbraw/zinc/23/61/37/352236137.db2.gz OYCAINSZKKWQFV-CBAPKCEASA-N 1 2 173.231 1.398 10 0 ADAELO CC(=O)[C@H](C)[N@H+]1CCC[C@H](F)C1 575458298 352236139 /nfs/dbraw/zinc/23/61/39/352236139.db2.gz OYCAINSZKKWQFV-CBAPKCEASA-N 1 2 173.231 1.398 10 0 ADAELO C[N@@H+]1CCC[C@@](N)(c2cscn2)C1 575458313 352236229 /nfs/dbraw/zinc/23/62/29/352236229.db2.gz GUJRKALFUYUOIZ-VIFPVBQESA-N 1 2 197.307 1.023 10 0 ADAELO C[N@H+]1CCC[C@@](N)(c2cscn2)C1 575458313 352236232 /nfs/dbraw/zinc/23/62/32/352236232.db2.gz GUJRKALFUYUOIZ-VIFPVBQESA-N 1 2 197.307 1.023 10 0 ADAELO CC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](F)C1 575458300 352236262 /nfs/dbraw/zinc/23/62/62/352236262.db2.gz OYCAINSZKKWQFV-VXNVDRBHSA-N 1 2 173.231 1.398 10 0 ADAELO CC(=O)[C@@H](C)[N@H+]1CCC[C@@H](F)C1 575458300 352236266 /nfs/dbraw/zinc/23/62/66/352236266.db2.gz OYCAINSZKKWQFV-VXNVDRBHSA-N 1 2 173.231 1.398 10 0 ADAELO CC(=O)[C@@H](C)[N@@H+]1CCC[C@H](F)C1 575458291 352236442 /nfs/dbraw/zinc/23/64/42/352236442.db2.gz OYCAINSZKKWQFV-APPZFPTMSA-N 1 2 173.231 1.398 10 0 ADAELO CC(=O)[C@@H](C)[N@H+]1CCC[C@H](F)C1 575458291 352236445 /nfs/dbraw/zinc/23/64/45/352236445.db2.gz OYCAINSZKKWQFV-APPZFPTMSA-N 1 2 173.231 1.398 10 0 ADAELO CC(=O)[C@H](C)[N@@H+]1CCC[C@@H](F)C1 575458299 352236498 /nfs/dbraw/zinc/23/64/98/352236498.db2.gz OYCAINSZKKWQFV-IONNQARKSA-N 1 2 173.231 1.398 10 0 ADAELO CC(=O)[C@H](C)[N@H+]1CCC[C@@H](F)C1 575458299 352236501 /nfs/dbraw/zinc/23/65/01/352236501.db2.gz OYCAINSZKKWQFV-IONNQARKSA-N 1 2 173.231 1.398 10 0 ADAELO CS[C@H]1CC[C@H]1[N@H+]1CCC(=O)C1 575458588 352236885 /nfs/dbraw/zinc/23/68/85/352236885.db2.gz GNHDGFWOUPARKU-BDAKNGLRSA-N 1 2 185.292 1.155 10 0 ADAELO CS[C@H]1CC[C@@H]1[N@@H+]1CCC(=O)C1 575458590 352237004 /nfs/dbraw/zinc/23/70/04/352237004.db2.gz GNHDGFWOUPARKU-IUCAKERBSA-N 1 2 185.292 1.155 10 0 ADAELO CS[C@H]1CC[C@@H]1[N@H+]1CCC(=O)C1 575458590 352237008 /nfs/dbraw/zinc/23/70/08/352237008.db2.gz GNHDGFWOUPARKU-IUCAKERBSA-N 1 2 185.292 1.155 10 0 ADAELO CS[C@@H]1CC[C@@H]1[N@@H+]1CCC(=O)C1 575458589 352237208 /nfs/dbraw/zinc/23/72/08/352237208.db2.gz GNHDGFWOUPARKU-DTWKUNHWSA-N 1 2 185.292 1.155 10 0 ADAELO CS[C@@H]1CC[C@@H]1[N@H+]1CCC(=O)C1 575458589 352237211 /nfs/dbraw/zinc/23/72/11/352237211.db2.gz GNHDGFWOUPARKU-DTWKUNHWSA-N 1 2 185.292 1.155 10 0 ADAELO CS[C@@H]1CC[C@H]1[N@@H+]1CCC(=O)C1 575458591 352237253 /nfs/dbraw/zinc/23/72/53/352237253.db2.gz GNHDGFWOUPARKU-RKDXNWHRSA-N 1 2 185.292 1.155 10 0 ADAELO CS[C@@H]1CC[C@H]1[N@H+]1CCC(=O)C1 575458591 352237255 /nfs/dbraw/zinc/23/72/55/352237255.db2.gz GNHDGFWOUPARKU-RKDXNWHRSA-N 1 2 185.292 1.155 10 0 ADAELO Cc1ncc([C@H]([NH3+])C(F)F)s1 575458902 352238429 /nfs/dbraw/zinc/23/84/29/352238429.db2.gz VLVCNPGHWRUKRW-YFKPBYRVSA-N 1 2 178.207 1.716 10 0 ADAELO Cc1ncc([C@@H]([NH3+])C(F)F)s1 575458896 352238436 /nfs/dbraw/zinc/23/84/36/352238436.db2.gz VLVCNPGHWRUKRW-RXMQYKEDSA-N 1 2 178.207 1.716 10 0 ADAELO [NH3+]C(c1ccns1)c1ccns1 575459165 352240146 /nfs/dbraw/zinc/24/01/46/352240146.db2.gz XDUYPNKZRJXDFO-UHFFFAOYSA-N 1 2 197.288 1.648 10 0 ADAELO Cc1[nH+]c([C@](C)(N)C(F)F)cn1C 575460482 352242885 /nfs/dbraw/zinc/24/28/85/352242885.db2.gz AIBSNVDTENOLHZ-QMMMGPOBSA-N 1 2 189.209 1.168 10 0 ADAELO Cc1nc([C@](C)([NH3+])C(F)F)cn1C 575460482 352242886 /nfs/dbraw/zinc/24/28/86/352242886.db2.gz AIBSNVDTENOLHZ-QMMMGPOBSA-N 1 2 189.209 1.168 10 0 ADAELO Cc1[nH+]c([C@@](C)(N)C(F)F)cn1C 575460481 352242927 /nfs/dbraw/zinc/24/29/27/352242927.db2.gz AIBSNVDTENOLHZ-MRVPVSSYSA-N 1 2 189.209 1.168 10 0 ADAELO Cc1nc([C@@](C)([NH3+])C(F)F)cn1C 575460481 352242928 /nfs/dbraw/zinc/24/29/28/352242928.db2.gz AIBSNVDTENOLHZ-MRVPVSSYSA-N 1 2 189.209 1.168 10 0 ADAELO Cc1nc(C[NH+](C)C)nc(F)c1C 575460421 352243148 /nfs/dbraw/zinc/24/31/48/352243148.db2.gz OOVFQVUOYJWADP-UHFFFAOYSA-N 1 2 183.230 1.294 10 0 ADAELO COC(=[NH2+])c1c(C)cc(C)[nH]c1=O 575460479 352243255 /nfs/dbraw/zinc/24/32/55/352243255.db2.gz ASVQEXFILOVVJO-UHFFFAOYSA-N 1 2 180.207 1.376 10 0 ADAELO Nc1c[nH+]cc(NCC2CSC2)c1 575460962 352245260 /nfs/dbraw/zinc/24/52/60/352245260.db2.gz JEAALJWNVODMIL-UHFFFAOYSA-N 1 2 195.291 1.439 10 0 ADAELO C[C@H](CF)Nc1cc[nH+]cc1F 575460926 352245408 /nfs/dbraw/zinc/24/54/08/352245408.db2.gz DQTAWLLORRSVRA-ZCFIWIBFSA-N 1 2 172.178 1.413 10 0 ADAELO C[C@@H](CF)Nc1cc[nH+]cc1F 575460924 352245443 /nfs/dbraw/zinc/24/54/43/352245443.db2.gz DQTAWLLORRSVRA-LURJTMIESA-N 1 2 172.178 1.413 10 0 ADAELO FC1(c2cnc(C3CC3)o2)C[NH2+]C1 575461060 352245775 /nfs/dbraw/zinc/24/57/75/352245775.db2.gz VBQNPWFZIQMFOS-UHFFFAOYSA-N 1 2 182.198 1.320 10 0 ADAELO Cc1c(F)nc(C[NH+](C)C)nc1F 575461184 352246886 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181.279 1.697 10 0 ADAELO C[C@H]1CC(=O)CC[N@H+]1C1CSC1 575565224 352699882 /nfs/dbraw/zinc/69/98/82/352699882.db2.gz HMHIGWZGLAAICM-ZETCQYMHSA-N 1 2 185.292 1.155 10 0 ADAELO C[C@@H]1CC(=O)CC[N@@H+]1C1CSC1 575565220 352700150 /nfs/dbraw/zinc/70/01/50/352700150.db2.gz HMHIGWZGLAAICM-SSDOTTSWSA-N 1 2 185.292 1.155 10 0 ADAELO C[C@@H]1CC(=O)CC[N@H+]1C1CSC1 575565220 352700152 /nfs/dbraw/zinc/70/01/52/352700152.db2.gz HMHIGWZGLAAICM-SSDOTTSWSA-N 1 2 185.292 1.155 10 0 ADAELO C/C=C/[C@H]([NH2+]C)c1cnsn1 575565912 352704177 /nfs/dbraw/zinc/70/41/77/352704177.db2.gz FKMSPZCKRBWFMC-YUDCMIJISA-N 1 2 169.253 1.375 10 0 ADAELO C/C=C/[C@@H]([NH2+]C)c1cnsn1 575565893 352704336 /nfs/dbraw/zinc/70/43/36/352704336.db2.gz FKMSPZCKRBWFMC-FCJGRKLLSA-N 1 2 169.253 1.375 10 0 ADAELO C/C=C/[C@@H]([NH2+]C)C(C)(F)F 575566045 352704826 /nfs/dbraw/zinc/70/48/26/352704826.db2.gz GCGPQTPNPVHKJM-BMMSZFGTSA-N 1 2 149.184 1.806 10 0 ADAELO C/C=C/[C@H]([NH2+]C)C(C)(F)F 575566052 352704849 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CC(=O)C[N@H+]1CCOC(C)(C)[C@H]1C 575587161 352811210 /nfs/dbraw/zinc/81/12/10/352811210.db2.gz HBBJILOILWTAKX-SECBINFHSA-N 1 2 185.267 1.075 10 0 ADAELO Cc1csc([C@@](C)([NH3+])C(F)F)n1 575588273 352816710 /nfs/dbraw/zinc/81/67/10/352816710.db2.gz IUMHUGJKVSBBLZ-ZETCQYMHSA-N 1 2 192.234 1.891 10 0 ADAELO Cn1c[nH+]cc1-c1ccc(O)cn1 575588204 352816864 /nfs/dbraw/zinc/81/68/64/352816864.db2.gz PDSIBVGGWXEZMU-UHFFFAOYSA-N 1 2 175.191 1.188 10 0 ADAELO Cn1c[nH+]cc1-c1cncc(O)c1 575588199 352816875 /nfs/dbraw/zinc/81/68/75/352816875.db2.gz MVQILRUNSOFUNI-UHFFFAOYSA-N 1 2 175.191 1.188 10 0 ADAELO Cc1csc([C@](C)([NH3+])C(F)F)n1 575588271 352817019 /nfs/dbraw/zinc/81/70/19/352817019.db2.gz IUMHUGJKVSBBLZ-SSDOTTSWSA-N 1 2 192.234 1.891 10 0 ADAELO C[C@@H]1CCN1c1[nH+]cnc(N)c1Cl 575589067 352821146 /nfs/dbraw/zinc/82/11/46/352821146.db2.gz NZVVEQOEXHQOCH-RXMQYKEDSA-N 1 2 198.657 1.311 10 0 ADAELO C[C@H]1CCN1c1nc[nH+]c(N)c1Cl 575589069 352821575 /nfs/dbraw/zinc/82/15/75/352821575.db2.gz 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/nfs/dbraw/zinc/83/72/47/352837247.db2.gz UYLGDVKORJFVSK-ZETCQYMHSA-N 1 2 177.251 1.450 10 0 ADAELO C[C@H]1CC[N@H+]1c1ccc(N)c(N)c1 575592372 352837250 /nfs/dbraw/zinc/83/72/50/352837250.db2.gz UYLGDVKORJFVSK-ZETCQYMHSA-N 1 2 177.251 1.450 10 0 ADAELO C[C@@H]1CC[N@@H+]1c1ccc(N)c(N)c1 575592371 352837501 /nfs/dbraw/zinc/83/75/01/352837501.db2.gz UYLGDVKORJFVSK-SSDOTTSWSA-N 1 2 177.251 1.450 10 0 ADAELO C[C@@H]1CC[N@H+]1c1ccc(N)c(N)c1 575592371 352837506 /nfs/dbraw/zinc/83/75/06/352837506.db2.gz UYLGDVKORJFVSK-SSDOTTSWSA-N 1 2 177.251 1.450 10 0 ADAELO C[C@H]1CCN1c1cc(N)cc(Cl)[nH+]1 575592841 352839783 /nfs/dbraw/zinc/83/97/83/352839783.db2.gz YEGRSFPYMKRYQV-LURJTMIESA-N 1 2 197.669 1.916 10 0 ADAELO C[C@@H]1CCN1c1cc(N)cc(Cl)[nH+]1 575592844 352839836 /nfs/dbraw/zinc/83/98/36/352839836.db2.gz YEGRSFPYMKRYQV-ZCFIWIBFSA-N 1 2 197.669 1.916 10 0 ADAELO C[C@H]1C[C@@]1(C)Nc1c[nH+]cc(N)c1 575592972 352839829 /nfs/dbraw/zinc/83/98/29/352839829.db2.gz ZGMDKVYBJZOTNP-OIBJUYFYSA-N 1 2 177.251 1.874 10 0 ADAELO C[C@@H]1C[C@@]1(C)Nc1c[nH+]cc(N)c1 575592969 352840142 /nfs/dbraw/zinc/84/01/42/352840142.db2.gz ZGMDKVYBJZOTNP-GMSGAONNSA-N 1 2 177.251 1.874 10 0 ADAELO C[C@H]1C[C@]1(C)Nc1c[nH+]cc(N)c1 575592974 352840382 /nfs/dbraw/zinc/84/03/82/352840382.db2.gz ZGMDKVYBJZOTNP-XVKPBYJWSA-N 1 2 177.251 1.874 10 0 ADAELO C[C@@H]1C[C@]1(C)Nc1c[nH+]cc(N)c1 575592973 352840353 /nfs/dbraw/zinc/84/03/53/352840353.db2.gz ZGMDKVYBJZOTNP-XCBNKYQSSA-N 1 2 177.251 1.874 10 0 ADAELO CC1C[NH+](Cc2cnc(Cl)cn2)C1 575594882 352851442 /nfs/dbraw/zinc/85/14/42/352851442.db2.gz ZUGIWEBQQLVKRM-UHFFFAOYSA-N 1 2 197.669 1.582 10 0 ADAELO Fc1ccnc(C[NH+]2CCCC2)n1 575596878 352858724 /nfs/dbraw/zinc/85/87/24/352858724.db2.gz LCBIKWNWGAHQIG-UHFFFAOYSA-N 1 2 181.214 1.212 10 0 ADAELO Cn1c[nH+]cc1-c1cccc(F)n1 575597044 352859324 /nfs/dbraw/zinc/85/93/24/352859324.db2.gz XJQWKHAMPSPDMH-UHFFFAOYSA-N 1 2 177.182 1.621 10 0 ADAELO C[C@@H]1CC[N@@H+]1Cc1ccc(Cl)nn1 575597365 352859804 /nfs/dbraw/zinc/85/98/04/352859804.db2.gz CRKDFEHSSTYCFD-SSDOTTSWSA-N 1 2 197.669 1.724 10 0 ADAELO C[C@@H]1CC[N@H+]1Cc1ccc(Cl)nn1 575597365 352859806 /nfs/dbraw/zinc/85/98/06/352859806.db2.gz CRKDFEHSSTYCFD-SSDOTTSWSA-N 1 2 197.669 1.724 10 0 ADAELO C[C@@H]1CC[N@@H+]1Cc1cnc(Cl)cn1 575597540 352859897 /nfs/dbraw/zinc/85/98/97/352859897.db2.gz AXDLOJJTEMPKBF-SSDOTTSWSA-N 1 2 197.669 1.724 10 0 ADAELO C[C@@H]1CC[N@H+]1Cc1cnc(Cl)cn1 575597540 352859899 /nfs/dbraw/zinc/85/98/99/352859899.db2.gz AXDLOJJTEMPKBF-SSDOTTSWSA-N 1 2 197.669 1.724 10 0 ADAELO Cn1c[nH+]cc1-c1cnc(F)nc1 575597400 352859915 /nfs/dbraw/zinc/85/99/15/352859915.db2.gz FNSPRZKBBWZBNE-UHFFFAOYSA-N 1 2 178.170 1.016 10 0 ADAELO C[C@H]1CC[N@@H+]1Cc1cnc(Cl)cn1 575597541 352859920 /nfs/dbraw/zinc/85/99/20/352859920.db2.gz AXDLOJJTEMPKBF-ZETCQYMHSA-N 1 2 197.669 1.724 10 0 ADAELO C[C@H]1CC[N@H+]1Cc1cnc(Cl)cn1 575597541 352859922 /nfs/dbraw/zinc/85/99/22/352859922.db2.gz AXDLOJJTEMPKBF-ZETCQYMHSA-N 1 2 197.669 1.724 10 0 ADAELO C[C@H]1CC[N@@H+]1Cc1ccc(Cl)nn1 575597367 352859993 /nfs/dbraw/zinc/85/99/93/352859993.db2.gz CRKDFEHSSTYCFD-ZETCQYMHSA-N 1 2 197.669 1.724 10 0 ADAELO C[C@H]1CC[N@H+]1Cc1ccc(Cl)nn1 575597367 352859995 /nfs/dbraw/zinc/85/99/95/352859995.db2.gz CRKDFEHSSTYCFD-ZETCQYMHSA-N 1 2 197.669 1.724 10 0 ADAELO Cn1c[nH+]cc1-c1cc(F)ccn1 575597666 352860294 /nfs/dbraw/zinc/86/02/94/352860294.db2.gz OYSCLCKAIMASHG-UHFFFAOYSA-N 1 2 177.182 1.621 10 0 ADAELO Cc1nc(C[NH+](C)C)nc(F)c1F 575599383 352862188 /nfs/dbraw/zinc/86/21/88/352862188.db2.gz JOBHBERMGODSGT-UHFFFAOYSA-N 1 2 187.193 1.125 10 0 ADAELO C[C@@H]1CC[N@@H+]1Cc1ccnc(Cl)n1 575599587 352862238 /nfs/dbraw/zinc/86/22/38/352862238.db2.gz WAOPBKKURXAGRP-SSDOTTSWSA-N 1 2 197.669 1.724 10 0 ADAELO C[C@@H]1CC[N@H+]1Cc1ccnc(Cl)n1 575599587 352862240 /nfs/dbraw/zinc/86/22/40/352862240.db2.gz WAOPBKKURXAGRP-SSDOTTSWSA-N 1 2 197.669 1.724 10 0 ADAELO C[C@H]1CC[N@@H+]1Cc1ccnc(Cl)n1 575599592 352862316 /nfs/dbraw/zinc/86/23/16/352862316.db2.gz 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/nfs/dbraw/zinc/86/56/52/352865652.db2.gz OBGUXNRRRDMIAA-VIFPVBQESA-N 1 2 193.246 1.730 10 0 ADAELO FCC[NH2+]Cc1cc2n(n1)CCCC2 575602003 352865710 /nfs/dbraw/zinc/86/57/10/352865710.db2.gz GSZPAVPOQGQYAJ-UHFFFAOYSA-N 1 2 197.257 1.279 10 0 ADAELO Cc1noc(C)c1-c1cc(N)cc[nH+]1 584621537 352907252 /nfs/dbraw/zinc/90/72/52/352907252.db2.gz VYFAWBDLPROVDY-UHFFFAOYSA-N 1 2 189.218 1.936 10 0 ADAELO C[N@@H+]1CCOC[C@@H]1c1ccccn1 616638581 352931837 /nfs/dbraw/zinc/93/18/37/352931837.db2.gz YCWRSCDWMJIEGG-SNVBAGLBSA-N 1 2 178.235 1.085 10 0 ADAELO C[N@H+]1CCOC[C@@H]1c1ccccn1 616638581 352931840 /nfs/dbraw/zinc/93/18/40/352931840.db2.gz YCWRSCDWMJIEGG-SNVBAGLBSA-N 1 2 178.235 1.085 10 0 ADAELO CC(C)N1CCOC[C@@H]1c1[nH]cc[nH+]1 616638437 352931846 /nfs/dbraw/zinc/93/18/46/352931846.db2.gz SPVMDUHMEHOZGZ-SECBINFHSA-N 1 2 195.266 1.191 10 0 ADAELO CC(C)[N@@H+]1CCOC[C@@H]1c1cn[nH]c1 616638434 352932051 /nfs/dbraw/zinc/93/20/51/352932051.db2.gz SHQYISQUWGYXJJ-SNVBAGLBSA-N 1 2 195.266 1.191 10 0 ADAELO CC(C)[N@H+]1CCOC[C@@H]1c1cn[nH]c1 616638434 352932054 /nfs/dbraw/zinc/93/20/54/352932054.db2.gz SHQYISQUWGYXJJ-SNVBAGLBSA-N 1 2 195.266 1.191 10 0 ADAELO CC[N@@H+]1CCOC[C@@H]1c1cnco1 616638584 352932248 /nfs/dbraw/zinc/93/22/48/352932248.db2.gz YHDLPWZYPAFXKM-MRVPVSSYSA-N 1 2 182.223 1.068 10 0 ADAELO CC[N@H+]1CCOC[C@@H]1c1cnco1 616638584 352932253 /nfs/dbraw/zinc/93/22/53/352932253.db2.gz YHDLPWZYPAFXKM-MRVPVSSYSA-N 1 2 182.223 1.068 10 0 ADAELO CC[N@@H+]1CCOC[C@@H]1c1cnoc1 616638596 352932334 /nfs/dbraw/zinc/93/23/34/352932334.db2.gz YMKAPBLLGUNFIM-SECBINFHSA-N 1 2 182.223 1.068 10 0 ADAELO CC[N@H+]1CCOC[C@@H]1c1cnoc1 616638596 352932337 /nfs/dbraw/zinc/93/23/37/352932337.db2.gz YMKAPBLLGUNFIM-SECBINFHSA-N 1 2 182.223 1.068 10 0 ADAELO Cc1cc(N2CC(C3CC3)C2)nc[nH+]1 643169585 352939353 /nfs/dbraw/zinc/93/93/53/352939353.db2.gz NHNHEMBHANYQQU-UHFFFAOYSA-N 1 2 189.262 1.631 10 0 ADAELO Cc1nc(N2CC(C3CC3)C2)cc[nH+]1 643170157 352939389 /nfs/dbraw/zinc/93/93/89/352939389.db2.gz 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CHGFRLRSUMPUOU-NSHDSACASA-N 1 2 193.294 1.320 10 0 ADAELO C[C@@H](OC(C)(C)C)[C@H]([NH3+])c1nnc[nH]1 308546873 573313246 /nfs/dbraw/zinc/31/32/46/573313246.db2.gz OFZTWHGRICRBEO-RQJHMYQMSA-N 1 2 198.270 1.008 10 0 ADAELO C[C@@H](OC(C)(C)C)[C@H]([NH3+])c1nc[nH]n1 308546873 573313250 /nfs/dbraw/zinc/31/32/50/573313250.db2.gz OFZTWHGRICRBEO-RQJHMYQMSA-N 1 2 198.270 1.008 10 0 ADAELO CCn1c[nH+]c([C@H](CC(C)C)NN)c1 308546513 573313366 /nfs/dbraw/zinc/31/33/66/573313366.db2.gz OAUAPUDSEHMJAP-VIFPVBQESA-N 1 2 196.298 1.454 10 0 ADAELO CO[C@H](C)CN(C)c1c[nH+]cc(N)c1 393661508 573313429 /nfs/dbraw/zinc/31/34/29/573313429.db2.gz XIOFBUFTKDZXIM-MRVPVSSYSA-N 1 2 195.266 1.135 10 0 ADAELO CCC[C@H]1[NH2+][C@@H](CC(C)C)C(=O)N1C 132521916 573313885 /nfs/dbraw/zinc/31/38/85/573313885.db2.gz ZEKFMAHLCJURFV-UWVGGRQHSA-N 1 2 198.310 1.589 10 0 ADAELO Cc1[nH]c(-c2ccco2)c(N)[nH+]1 106774464 573314551 /nfs/dbraw/zinc/31/45/51/573314551.db2.gz IDWRFOOXHDJPKE-UHFFFAOYSA-N 1 2 163.180 1.560 10 0 ADAELO 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CCOC(=O)Cc1[nH+]c(CC)cn1C 259493828 573537732 /nfs/dbraw/zinc/53/77/32/573537732.db2.gz PEBVHHYQWLRFQZ-UHFFFAOYSA-N 1 2 196.250 1.088 10 0 ADAELO Cc1[nH]c2c(N)c(=O)ccc-2[nH+]c1C 259492653 573537780 /nfs/dbraw/zinc/53/77/80/573537780.db2.gz PRRYPOAMWMOUOS-UHFFFAOYSA-N 1 2 189.218 1.534 10 0 ADAELO Cc1ccc([C@@H]2N[C@H](C)CC[NH2+]2)cc1 238434144 573538190 /nfs/dbraw/zinc/53/81/90/573538190.db2.gz KCUVJOHDFBYLOS-PWSUYJOCSA-N 1 2 190.290 1.965 10 0 ADAELO Cc1ccc[nH+]c1[C@H](C)CCO 238436165 573546406 /nfs/dbraw/zinc/54/64/06/573546406.db2.gz KKMNOQFYHYCEQD-SECBINFHSA-N 1 2 165.236 1.876 10 0 ADAELO CCn1cc[nH+]c1C1=C[C@@H](O)CC1 83549026 573546572 /nfs/dbraw/zinc/54/65/72/573546572.db2.gz GZZYIOGSVIHTAJ-VIFPVBQESA-N 1 2 178.235 1.441 10 0 ADAELO O[C@H]1CC[C@@H](Oc2cc[nH+]cc2)C1 259501710 573549531 /nfs/dbraw/zinc/54/95/31/573549531.db2.gz JKHKTMUAXMZAOQ-WCBMZHEXSA-N 1 2 179.219 1.374 10 0 ADAELO [NH3+][C@@H](C1=CCCCCC1)c1cnn[nH]1 236305126 573549741 /nfs/dbraw/zinc/54/97/41/573549741.db2.gz GMWIIRGPGQTOKH-JTQLQIEISA-N 1 2 192.266 1.695 10 0 ADAELO [NH3+][C@@H](c1cccc2c1OCC2)C(F)F 236310822 573550129 /nfs/dbraw/zinc/55/01/29/573550129.db2.gz DFBZBMCMDOKABK-QMMMGPOBSA-N 1 2 199.200 1.886 10 0 ADAELO CCC[N@@H+]1Cc2cncnc2C1 585332079 573554853 /nfs/dbraw/zinc/55/48/53/573554853.db2.gz FPLSAWAMUKZSPZ-UHFFFAOYSA-N 1 2 163.224 1.202 10 0 ADAELO CCC[N@H+]1Cc2cncnc2C1 585332079 573554859 /nfs/dbraw/zinc/55/48/59/573554859.db2.gz FPLSAWAMUKZSPZ-UHFFFAOYSA-N 1 2 163.224 1.202 10 0 ADAELO C[C@H]1CC[NH2+][C@@H](c2ccccc2)N1 238438368 573554954 /nfs/dbraw/zinc/55/49/54/573554954.db2.gz HHEGNOULRWVFSD-GXSJLCMTSA-N 1 2 176.263 1.657 10 0 ADAELO [NH3+][C@@H](c1ccoc1)C(F)F 95779595 573560470 /nfs/dbraw/zinc/56/04/70/573560470.db2.gz WEBQRTIFCGJNQN-YFKPBYRVSA-N 1 2 147.124 1.545 10 0 ADAELO Nc1c[nH]c(-c2ccncc2)[nH+]1 75408611 573560492 /nfs/dbraw/zinc/56/04/92/573560492.db2.gz AZGGRQOMPWJOOV-UHFFFAOYSA-N 1 2 160.180 1.054 10 0 ADAELO C[NH2+][C@H](c1ccn(C)n1)c1ccco1 83573721 573560662 /nfs/dbraw/zinc/56/06/62/573560662.db2.gz HOAGNDGEYDMRQT-SNVBAGLBSA-N 1 2 191.234 1.322 10 0 ADAELO CC(C)n1[nH]c2c(c1=O)CC[N@H+](C)C2 257831410 573565611 /nfs/dbraw/zinc/56/56/11/573565611.db2.gz JJQNEXRXBROZHL-UHFFFAOYSA-N 1 2 195.266 1.158 10 0 ADAELO CC(C)n1[nH]c2c(c1=O)CC[N@@H+](C)C2 257831410 573565616 /nfs/dbraw/zinc/56/56/16/573565616.db2.gz JJQNEXRXBROZHL-UHFFFAOYSA-N 1 2 195.266 1.158 10 0 ADAELO c1ccn(CCc2c[nH]c[nH+]2)c1 83610813 573568645 /nfs/dbraw/zinc/56/86/45/573568645.db2.gz DOORCANFCPSFJQ-UHFFFAOYSA-N 1 2 161.208 1.454 10 0 ADAELO c1ccn(CCc2c[nH+]c[nH]2)c1 83610813 573568651 /nfs/dbraw/zinc/56/86/51/573568651.db2.gz DOORCANFCPSFJQ-UHFFFAOYSA-N 1 2 161.208 1.454 10 0 ADAELO C[C@H](O)c1[nH+]cc2cccc(O)n12 257831925 573568855 /nfs/dbraw/zinc/56/88/55/573568855.db2.gz JVLYDLVXQHUDSL-LURJTMIESA-N 1 2 178.191 1.093 10 0 ADAELO Cc1ccc2c([nH+]1)NCCC(=O)N2 83610047 573570142 /nfs/dbraw/zinc/57/01/42/573570142.db2.gz QJVSGOTUBSQNFW-UHFFFAOYSA-N 1 2 177.207 1.144 10 0 ADAELO C[C@H](O)c1[nH+]cc2c(O)cccn12 257831997 573570346 /nfs/dbraw/zinc/57/03/46/573570346.db2.gz JXLFRRXBDGDMJC-LURJTMIESA-N 1 2 178.191 1.093 10 0 ADAELO C[C@@H](O)c1[nH+]cc2cccc(O)n12 257831927 573570373 /nfs/dbraw/zinc/57/03/73/573570373.db2.gz JVLYDLVXQHUDSL-ZCFIWIBFSA-N 1 2 178.191 1.093 10 0 ADAELO Nc1nc(-n2cc[nH+]c2)c(F)cc1F 236365790 573573668 /nfs/dbraw/zinc/57/36/68/573573668.db2.gz ZVDTYUVDZDASJM-UHFFFAOYSA-N 1 2 196.160 1.128 10 0 ADAELO CN(CC(C)(C)CO)c1cccc[nH+]1 258782859 573573718 /nfs/dbraw/zinc/57/37/18/573573718.db2.gz IRWKOHZPFRKXMA-UHFFFAOYSA-N 1 2 194.278 1.536 10 0 ADAELO C[NH+](C)CC(=O)c1ccsc1 78677320 573576971 /nfs/dbraw/zinc/57/69/71/573576971.db2.gz CTKLRODEOJZJAK-UHFFFAOYSA-N 1 2 169.249 1.492 10 0 ADAELO Cc1cc(F)ccc1C(=O)C[NH+](C)C 78676890 573577241 /nfs/dbraw/zinc/57/72/41/573577241.db2.gz KHYILVQILGVUDE-UHFFFAOYSA-N 1 2 195.237 1.878 10 0 ADAELO C[C@H]1C[C@@H]([NH2+]CCC2CCC2)C(=O)O1 308639075 573584320 /nfs/dbraw/zinc/58/43/20/573584320.db2.gz DFHCEMKYHXSGIV-WCBMZHEXSA-N 1 2 197.278 1.470 10 0 ADAELO CC(C)c1ccc([C@H]([NH3+])NN)cc1 259519620 573583781 /nfs/dbraw/zinc/58/37/81/573583781.db2.gz SDABVWUSOJAVIH-SNVBAGLBSA-N 1 2 179.267 1.231 10 0 ADAELO CC[C@@H](C)c1nnc(C[NH+](C)C)o1 308402745 573583980 /nfs/dbraw/zinc/58/39/80/573583980.db2.gz HWCGTUXUPXAQFB-SSDOTTSWSA-N 1 2 183.255 1.645 10 0 ADAELO C[C@@H]1C[C@H]([NH2+]CCC2CCC2)C(=O)O1 308639070 573585943 /nfs/dbraw/zinc/58/59/43/573585943.db2.gz DFHCEMKYHXSGIV-SCZZXKLOSA-N 1 2 197.278 1.470 10 0 ADAELO CN1CC[N@H+](C)[C@H](c2ccco2)C1 258804228 573585949 /nfs/dbraw/zinc/58/59/49/573585949.db2.gz NNYFYROIQDWYJD-VIFPVBQESA-N 1 2 180.251 1.198 10 0 ADAELO CN1CC[N@@H+](C)[C@H](c2ccco2)C1 258804228 573585956 /nfs/dbraw/zinc/58/59/56/573585956.db2.gz NNYFYROIQDWYJD-VIFPVBQESA-N 1 2 180.251 1.198 10 0 ADAELO Cc1cc(N)[nH+]cc1-c1nccn1C 86716469 573586114 /nfs/dbraw/zinc/58/61/14/573586114.db2.gz LOGQORRAFYIGQV-UHFFFAOYSA-N 1 2 188.234 1.373 10 0 ADAELO CCc1[nH+]ccn1-c1ncns1 83675995 573586312 /nfs/dbraw/zinc/58/63/12/573586312.db2.gz GKBMNTWRURJNKM-UHFFFAOYSA-N 1 2 180.236 1.286 10 0 ADAELO CCc1nsc(-n2cc[nH+]c2C)n1 83675993 573587537 /nfs/dbraw/zinc/58/75/37/573587537.db2.gz VOEKKAULTFTEAK-UHFFFAOYSA-N 1 2 194.263 1.595 10 0 ADAELO Cc1[nH+]ccn1-c1ncns1 83675989 573587712 /nfs/dbraw/zinc/58/77/12/573587712.db2.gz GFTFCVUYGKMTCH-UHFFFAOYSA-N 1 2 166.209 1.032 10 0 ADAELO CCC[C@@]([NH3+])(C(=O)OC)C(C)(C)F 257833714 573587949 /nfs/dbraw/zinc/58/79/49/573587949.db2.gz KDFKGICKNTXCAH-SECBINFHSA-N 1 2 191.246 1.405 10 0 ADAELO CN1CC[N@H+](C)[C@@H](c2ccco2)C1 258804226 573588083 /nfs/dbraw/zinc/58/80/83/573588083.db2.gz NNYFYROIQDWYJD-SECBINFHSA-N 1 2 180.251 1.198 10 0 ADAELO CN1CC[N@@H+](C)[C@@H](c2ccco2)C1 258804226 573588087 /nfs/dbraw/zinc/58/80/87/573588087.db2.gz NNYFYROIQDWYJD-SECBINFHSA-N 1 2 180.251 1.198 10 0 ADAELO CCCc1c[nH]c(C2(CO)CC2)[nH+]1 259134422 573590517 /nfs/dbraw/zinc/59/05/17/573590517.db2.gz RHDLZEDXZYDCKH-UHFFFAOYSA-N 1 2 180.251 1.386 10 0 ADAELO CC[N@@H+]1CCCC[C@@H]1c1noc(N)n1 258063497 573590863 /nfs/dbraw/zinc/59/08/63/573590863.db2.gz PVMACTRIVPBIFE-SSDOTTSWSA-N 1 2 196.254 1.199 10 0 ADAELO CC[N@H+]1CCCC[C@@H]1c1noc(N)n1 258063497 573590868 /nfs/dbraw/zinc/59/08/68/573590868.db2.gz PVMACTRIVPBIFE-SSDOTTSWSA-N 1 2 196.254 1.199 10 0 ADAELO CC(C)(C)c1ccc([C@@H]([NH3+])NN)cc1 259134467 573592607 /nfs/dbraw/zinc/59/26/07/573592607.db2.gz AXTYPDBWNSNFIY-JTQLQIEISA-N 1 2 193.294 1.405 10 0 ADAELO CCN1c2cc(N)ccc2[NH2+]C[C@H]1C 259135670 573592690 /nfs/dbraw/zinc/59/26/90/573592690.db2.gz HBEQXOJSZGVJLB-MRVPVSSYSA-N 1 2 191.278 1.909 10 0 ADAELO CCN1c2cc([NH3+])ccc2NC[C@H]1C 259135670 573592695 /nfs/dbraw/zinc/59/26/95/573592695.db2.gz HBEQXOJSZGVJLB-MRVPVSSYSA-N 1 2 191.278 1.909 10 0 ADAELO Cc1[nH]c(C[NH3+])nc1[C@@H]1CCCO1 259521286 573593985 /nfs/dbraw/zinc/59/39/85/573593985.db2.gz AJQRWXWXCYWAIS-ZETCQYMHSA-N 1 2 181.239 1.028 10 0 ADAELO Cc1cc(O)ccc1-n1cc[nH+]c1 83696259 573594277 /nfs/dbraw/zinc/59/42/77/573594277.db2.gz KSXIYBCQGYDAON-UHFFFAOYSA-N 1 2 174.203 1.886 10 0 ADAELO Cc1ccsc1-c1c[nH]c(NN)[nH+]1 259136924 573594379 /nfs/dbraw/zinc/59/43/79/573594379.db2.gz RJXMTIFEZSGJAW-UHFFFAOYSA-N 1 2 194.263 1.732 10 0 ADAELO CCOC(=O)C[NH2+][C@@H]1[C@H]2CCCC[C@H]21 308648798 573601953 /nfs/dbraw/zinc/60/19/53/573601953.db2.gz JDZJBMNNGSLHNK-JZYVYDRUSA-N 1 2 197.278 1.328 10 0 ADAELO Cc1c[nH+]c(C2CCC(O)CC2)[nH]1 259124779 573601965 /nfs/dbraw/zinc/60/19/65/573601965.db2.gz QEZRNTPWFYOADU-UHFFFAOYSA-N 1 2 180.251 1.737 10 0 ADAELO Oc1ccccc1NC1=[NH+]CCOC1 259525796 573602533 /nfs/dbraw/zinc/60/25/33/573602533.db2.gz ATSSJSHJHLAADL-UHFFFAOYSA-N 1 2 192.218 1.233 10 0 ADAELO CCC(CC)CN1C(=O)C[NH2+][C@H]1CC 130581736 573606833 /nfs/dbraw/zinc/60/68/33/573606833.db2.gz VQNIRMFTUANDTG-SNVBAGLBSA-N 1 2 198.310 1.591 10 0 ADAELO Cn1cc[nH+]c1C[C@H]1CCCC1=O 86753273 573606901 /nfs/dbraw/zinc/60/69/01/573606901.db2.gz XTUMQSGNAGQGIZ-MRVPVSSYSA-N 1 2 178.235 1.332 10 0 ADAELO CCn1cc[nH+]c1CC1=C[C@H](O)CC1 86754653 573606931 /nfs/dbraw/zinc/60/69/31/573606931.db2.gz YACYRWAZINOGNQ-SNVBAGLBSA-N 1 2 192.262 1.527 10 0 ADAELO CCC(C)(C)C(=O)C[NH+]1CC(OC)C1 308647809 573607059 /nfs/dbraw/zinc/60/70/59/573607059.db2.gz IFNTZHGOWZDSRF-UHFFFAOYSA-N 1 2 199.294 1.322 10 0 ADAELO Cn1cc[nH+]c1C[C@@H]1CCCC(=O)C1 86753669 573609925 /nfs/dbraw/zinc/60/99/25/573609925.db2.gz RGWSLNBMKDVDKW-SECBINFHSA-N 1 2 192.262 1.722 10 0 ADAELO CC[C@@]1(C(=O)OC)CCCC[NH2+]1 142721524 573609988 /nfs/dbraw/zinc/60/99/88/573609988.db2.gz BDAPWOWLAJBINL-VIFPVBQESA-N 1 2 171.240 1.082 10 0 ADAELO Cn1cc[nH+]c1C[C@H]1CCCCC1=O 86753263 573610000 /nfs/dbraw/zinc/61/00/00/573610000.db2.gz RYLFYOVTMVXEOV-SECBINFHSA-N 1 2 192.262 1.722 10 0 ADAELO CC(C)/C(=C/c1c[nH+]cn1C)CO 211944240 573610077 /nfs/dbraw/zinc/61/00/77/573610077.db2.gz VRSZGHDMUAUINF-RUDMXATFSA-N 1 2 180.251 1.452 10 0 ADAELO C[C@H]1C(=O)CC[C@H]1Cc1[nH+]ccn1C 86753780 573610106 /nfs/dbraw/zinc/61/01/06/573610106.db2.gz WFKGRTKDEHFJBH-BDAKNGLRSA-N 1 2 192.262 1.578 10 0 ADAELO C[NH2+][C@@H](C)c1noc(CC(C)(C)C)n1 258068597 573611319 /nfs/dbraw/zinc/61/13/19/573611319.db2.gz QGEQJYUIJVGQGF-ZETCQYMHSA-N 1 2 197.282 1.939 10 0 ADAELO CCOC(=O)C[C@@H](C)[NH2+]CC(F)F 147565451 573611502 /nfs/dbraw/zinc/61/15/02/573611502.db2.gz IYGJVHAYPOQOBY-ZCFIWIBFSA-N 1 2 195.209 1.183 10 0 ADAELO CC(C)(O)Cc1ccc2[nH]c[nH+]c2c1 259130662 573611542 /nfs/dbraw/zinc/61/15/42/573611542.db2.gz MMXAQDRUTDLTLY-UHFFFAOYSA-N 1 2 190.246 1.876 10 0 ADAELO CNC([NH2+]C)c1ccc(F)cc1F 259533146 573622425 /nfs/dbraw/zinc/62/24/25/573622425.db2.gz USZKHEVCKRABII-UHFFFAOYSA-N 1 2 186.205 1.402 10 0 ADAELO OCCCc1cn2c(F)cccc2[nH+]1 259535315 573629330 /nfs/dbraw/zinc/62/93/30/573629330.db2.gz BIMPXMKBIUTKRU-UHFFFAOYSA-N 1 2 194.209 1.398 10 0 ADAELO Cc1ccc(-c2[nH+]ccn2C)c(N)c1 96551236 573629351 /nfs/dbraw/zinc/62/93/51/573629351.db2.gz NBQKKWFZIWVUGM-UHFFFAOYSA-N 1 2 187.246 1.978 10 0 ADAELO COC[N@H+](C)CCc1ccccc1F 259132307 573629414 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C[NH2+][C@@H](NN)c1ccc(SC)cc1 259181886 573755609 /nfs/dbraw/zinc/75/56/09/573755609.db2.gz JVYYZQVVTIRQLN-VIFPVBQESA-N 1 2 197.307 1.090 10 0 ADAELO [NH3+]Cc1c[nH]n(C2CCCCC2)c1=O 258119297 573756531 /nfs/dbraw/zinc/75/65/31/573756531.db2.gz WCJSGOVGFLJOOK-UHFFFAOYSA-N 1 2 195.266 1.553 10 0 ADAELO C[NH2+][C@@H](C(C)=O)c1ccc(F)cc1F 259564749 573756605 /nfs/dbraw/zinc/75/66/05/573756605.db2.gz WJOOTZAEOPOREV-JTQLQIEISA-N 1 2 199.200 1.814 10 0 ADAELO C[NH2+][C@H](NN)c1ccc(SC)cc1 259181883 573757308 /nfs/dbraw/zinc/75/73/08/573757308.db2.gz JVYYZQVVTIRQLN-SECBINFHSA-N 1 2 197.307 1.090 10 0 ADAELO CCN(CC)c1cc(CO)cc[nH+]1 40863910 573769411 /nfs/dbraw/zinc/76/94/11/573769411.db2.gz YUBJKQLPLHDJKA-UHFFFAOYSA-N 1 2 180.251 1.420 10 0 ADAELO Oc1cccc2[nH+]c(C3CC3)cn12 257871069 573769476 /nfs/dbraw/zinc/76/94/76/573769476.db2.gz BAPSSVABJOSNII-UHFFFAOYSA-N 1 2 174.203 1.917 10 0 ADAELO Cc1cn(C(C)C)c(C[NH+](C)C)n1 257870963 573769517 /nfs/dbraw/zinc/76/95/17/573769517.db2.gz 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/nfs/dbraw/zinc/77/36/59/573773659.db2.gz LQIVWGLUQDBEIW-VIFPVBQESA-N 1 2 194.278 1.809 10 0 ADAELO CC[C@@H](C)N(C)c1cc(CO)cc[nH+]1 40865199 573773703 /nfs/dbraw/zinc/77/37/03/573773703.db2.gz LQIVWGLUQDBEIW-SECBINFHSA-N 1 2 194.278 1.809 10 0 ADAELO CN(CC1CC1)c1[nH+]cccc1CO 40879201 573773748 /nfs/dbraw/zinc/77/37/48/573773748.db2.gz OCSWMASWSUAOPQ-UHFFFAOYSA-N 1 2 192.262 1.420 10 0 ADAELO CC[C@H](C)N(C)c1ccc(CO)c[nH+]1 40865190 573773835 /nfs/dbraw/zinc/77/38/35/573773835.db2.gz RHSXZXYPHXUFMC-VIFPVBQESA-N 1 2 194.278 1.809 10 0 ADAELO Oc1ccc2c(c1)N(C1CC1)CC[NH2+]2 257874348 573773886 /nfs/dbraw/zinc/77/38/86/573773886.db2.gz UESAAZRBRBDJBC-UHFFFAOYSA-N 1 2 190.246 1.787 10 0 ADAELO C[NH+](C)[C@@H](O)c1cc(F)ccc1F 259567531 573773917 /nfs/dbraw/zinc/77/39/17/573773917.db2.gz OZTMQSPBLJISPG-VIFPVBQESA-N 1 2 187.189 1.517 10 0 ADAELO CCC1(C[NH2+][C@@H]2CCOC2=O)CCC1 308717102 573775139 /nfs/dbraw/zinc/77/51/39/573775139.db2.gz BSTOPTIGXMYYIN-SECBINFHSA-N 1 2 197.278 1.472 10 0 ADAELO [NH3+]N1CCC[C@@H](C(F)(F)F)C1 87100923 573782030 /nfs/dbraw/zinc/78/20/30/573782030.db2.gz DTQLBVFZQGXECP-RXMQYKEDSA-N 1 2 168.162 1.134 10 0 ADAELO Cc1[nH+]c(C(F)F)cc(N)c1C=O 238503428 573782193 /nfs/dbraw/zinc/78/21/93/573782193.db2.gz CTNWEHNFLXKRMA-UHFFFAOYSA-N 1 2 186.161 1.722 10 0 ADAELO CCCc1noc([C@@H](C)[NH+](C)C)n1 308431030 573782194 /nfs/dbraw/zinc/78/21/94/573782194.db2.gz TWHOYYMRGWKIIF-SSDOTTSWSA-N 1 2 183.255 1.645 10 0 ADAELO Cc1[nH+]c2cccc(N)c2cc1O 238503555 573782211 /nfs/dbraw/zinc/78/22/11/573782211.db2.gz NSJNBYQLGHIWBL-UHFFFAOYSA-N 1 2 174.203 1.831 10 0 ADAELO CC1=C[N@@H+](C)C=CN1C 100226970 573782238 /nfs/dbraw/zinc/78/22/38/573782238.db2.gz SXCLJEUBBROISF-UHFFFAOYSA-N 1 2 124.187 1.196 10 0 ADAELO CC1=C[N@H+](C)C=CN1C 100226970 573782241 /nfs/dbraw/zinc/78/22/41/573782241.db2.gz SXCLJEUBBROISF-UHFFFAOYSA-N 1 2 124.187 1.196 10 0 ADAELO C[C@H]1CCC[C@H](N(C)[NH3+])C1 87100774 573782273 /nfs/dbraw/zinc/78/22/73/573782273.db2.gz CLOGUCOBHNICQN-YUMQZZPRSA-N 1 2 142.246 1.371 10 0 ADAELO C[C@H](N(C)[NH3+])C(C)(C)C 87100746 573782373 /nfs/dbraw/zinc/78/23/73/573782373.db2.gz MVZWJCZSCUXKTH-LURJTMIESA-N 1 2 130.235 1.227 10 0 ADAELO CO[C@H](C)C[N@@H+]1CCC[C@@H]1C(F)F 308436982 573782526 /nfs/dbraw/zinc/78/25/26/573782526.db2.gz XCPRXRKOPMZDCY-HTQZYQBOSA-N 1 2 193.237 1.751 10 0 ADAELO CO[C@H](C)C[N@H+]1CCC[C@@H]1C(F)F 308436982 573782532 /nfs/dbraw/zinc/78/25/32/573782532.db2.gz XCPRXRKOPMZDCY-HTQZYQBOSA-N 1 2 193.237 1.751 10 0 ADAELO C[C@@H]1CCC[C@@H](N(C)[NH3+])C1 87100776 573782549 /nfs/dbraw/zinc/78/25/49/573782549.db2.gz CLOGUCOBHNICQN-HTQZYQBOSA-N 1 2 142.246 1.371 10 0 ADAELO CCC1CCC(N(C)[NH3+])CC1 87100864 573782574 /nfs/dbraw/zinc/78/25/74/573782574.db2.gz HHEOOJPVKODDJC-UHFFFAOYSA-N 1 2 156.273 1.761 10 0 ADAELO C[C@]([NH3+])(CF)Nc1ccc(C=O)cc1 238503401 573782670 /nfs/dbraw/zinc/78/26/70/573782670.db2.gz QDNZQIPIBIOYGM-SNVBAGLBSA-N 1 2 196.225 1.555 10 0 ADAELO CCCc1noc([C@H](C)[NH+](C)C)n1 308431032 573783963 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158.151 1.347 10 0 ADAELO CCCCCOC(=O)C[NH2+]CC1CC1 40954340 573795073 /nfs/dbraw/zinc/79/50/73/573795073.db2.gz TWKXAHRLFAPGFI-UHFFFAOYSA-N 1 2 199.294 1.719 10 0 ADAELO CN(c1cccc[nH+]1)C(C)(C)CCO 258949020 573795146 /nfs/dbraw/zinc/79/51/46/573795146.db2.gz WUQXUOCLCWQXAJ-UHFFFAOYSA-N 1 2 194.278 1.679 10 0 ADAELO Cc1[nH+]cnc(NCC2CC2)c1C 670644456 573795185 /nfs/dbraw/zinc/79/51/85/573795185.db2.gz QRZXEIOYVGYBSI-UHFFFAOYSA-N 1 2 177.251 1.915 10 0 ADAELO FC(F)C1=CC(C(F)F)=[NH+]CCN1 238521417 573795265 /nfs/dbraw/zinc/79/52/65/573795265.db2.gz BVGRKJKSTOFPCA-UHFFFAOYSA-N 1 2 196.147 1.445 10 0 ADAELO Cc1nccc([C@H]([NH3+])c2ccco2)n1 125119180 573795655 /nfs/dbraw/zinc/79/56/55/573795655.db2.gz DFZHILJRVUIHKM-JTQLQIEISA-N 1 2 189.218 1.426 10 0 ADAELO C[NH2+]CC(=O)O[C@@H]1CCC[C@@H](C)C1 40953463 573795674 /nfs/dbraw/zinc/79/56/74/573795674.db2.gz KWHLSLUAZLDVID-RKDXNWHRSA-N 1 2 185.267 1.328 10 0 ADAELO CCC[C@@H](O)CNc1cc(F)cc[nH+]1 308727885 573795701 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Nc1cccc(F)c1[C@H]1COCC[NH2+]1 104480337 574001237 /nfs/dbraw/zinc/00/12/37/574001237.db2.gz WIGBQJGULFSGGN-SECBINFHSA-N 1 2 196.225 1.069 10 0 ADAELO CC(C)C[C@H](O)c1c[nH+]cn1C 85171207 574001309 /nfs/dbraw/zinc/00/13/09/574001309.db2.gz QGJJHTXQKYQJFO-VIFPVBQESA-N 1 2 168.240 1.500 10 0 ADAELO CCOC(=O)N[C@H](C)c1[nH+]ccn1C 82276732 574001341 /nfs/dbraw/zinc/00/13/41/574001341.db2.gz AGBRLDJLJPRSRN-SSDOTTSWSA-N 1 2 197.238 1.227 10 0 ADAELO Cn1c[nH+]cc1[C@H](O)c1ccsc1 85171706 574001342 /nfs/dbraw/zinc/00/13/42/574001342.db2.gz QQLRRCRHXLSOAW-SECBINFHSA-N 1 2 194.259 1.563 10 0 ADAELO Nc1cccc(F)c1[C@@H]1COCC[NH2+]1 104480333 574001464 /nfs/dbraw/zinc/00/14/64/574001464.db2.gz WIGBQJGULFSGGN-VIFPVBQESA-N 1 2 196.225 1.069 10 0 ADAELO CC[N@@H+]1CCC[C@H]1c1ncc(C=O)o1 258198199 574001608 /nfs/dbraw/zinc/00/16/08/574001608.db2.gz SWJYJCGKLBPSRB-VIFPVBQESA-N 1 2 194.234 1.644 10 0 ADAELO CC[N@H+]1CCC[C@H]1c1ncc(C=O)o1 258198199 574001613 /nfs/dbraw/zinc/00/16/13/574001613.db2.gz SWJYJCGKLBPSRB-VIFPVBQESA-N 1 2 194.234 1.644 10 0 ADAELO C/C(=C\c1c[nH+]cn1C1CC1)[N+](=O)[O-] 85189924 574005511 /nfs/dbraw/zinc/00/55/11/574005511.db2.gz FVQUMDIZVYYQLH-QPJJXVBHSA-N 1 2 193.206 1.856 10 0 ADAELO Cc1nc(N2CC(F)(F)C2)cc[nH+]1 585379728 574005552 /nfs/dbraw/zinc/00/55/52/574005552.db2.gz BKGTZAJLBSKCPU-UHFFFAOYSA-N 1 2 185.177 1.240 10 0 ADAELO CCn1c[nH+]cc1/C=C(/C)[N+](=O)[O-] 85183474 574005568 /nfs/dbraw/zinc/00/55/68/574005568.db2.gz PWTPXENERIVRHR-DAXSKMNVSA-N 1 2 181.195 1.541 10 0 ADAELO Cc1cn(-c2ccnc(Cl)n2)c[nH+]1 197867240 574005588 /nfs/dbraw/zinc/00/55/88/574005588.db2.gz ACOAUYHWOXBJNL-UHFFFAOYSA-N 1 2 194.625 1.624 10 0 ADAELO CCCn1c[nH+]cc1/C=C/[N+](=O)[O-] 85186318 574005591 /nfs/dbraw/zinc/00/55/91/574005591.db2.gz OTRHBLOORKPCNQ-HWKANZROSA-N 1 2 181.195 1.541 10 0 ADAELO CC(C)n1c[nH+]cc1[C@@H](O)C1CC1 85188994 574005772 /nfs/dbraw/zinc/00/57/72/574005772.db2.gz VCOWNUNPHQDAFH-JTQLQIEISA-N 1 2 180.251 1.907 10 0 ADAELO CCn1c[nH+]cc1[C@@H]1C[C@H]1C(C)=O 85183315 574005850 /nfs/dbraw/zinc/00/58/50/574005850.db2.gz LHJOBFMERHEEHD-DTWKUNHWSA-N 1 2 178.235 1.596 10 0 ADAELO CC[C@H](C)OC(=O)[C@H]1CCCC[NH2+]1 48265475 574005933 /nfs/dbraw/zinc/00/59/33/574005933.db2.gz SXJAFBREGOXRND-DTWKUNHWSA-N 1 2 185.267 1.470 10 0 ADAELO C=Cc1cc(CC)c(N)c[nH+]1 209769963 574005952 /nfs/dbraw/zinc/00/59/52/574005952.db2.gz CKPQHHVMPIBYTA-UHFFFAOYSA-N 1 2 148.209 1.869 10 0 ADAELO CC1(C)Cc2[nH+]c[nH]c2[C@@H](NC=O)C1 238239540 574005405 /nfs/dbraw/zinc/00/54/05/574005405.db2.gz MJALKTBWYOWVJU-QMMMGPOBSA-N 1 2 193.250 1.169 10 0 ADAELO CC(C)n1c[nH+]cc1/C=C/[N+](=O)[O-] 85188058 574008029 /nfs/dbraw/zinc/00/80/29/574008029.db2.gz HOWDESAPNLWXPQ-ONEGZZNKSA-N 1 2 181.195 1.711 10 0 ADAELO C[C@@H]1C[NH2+]c2c(O)cccc2OC1 259272653 574008085 /nfs/dbraw/zinc/00/80/85/574008085.db2.gz PCDOSCVCBKLPAD-SSDOTTSWSA-N 1 2 179.219 1.833 10 0 ADAELO C[NH2+][C@@H](NN)c1ccc(C)c(C)c1C 259272488 574008115 /nfs/dbraw/zinc/00/81/15/574008115.db2.gz OVJSYXXWGFMHDO-NSHDSACASA-N 1 2 193.294 1.293 10 0 ADAELO FC1(F)CN(c2cccc[nH+]2)C1 585380674 574007669 /nfs/dbraw/zinc/00/76/69/574007669.db2.gz SOGNXXAEODSVJH-UHFFFAOYSA-N 1 2 170.162 1.537 10 0 ADAELO CCCn1c[nH+]cc1[C@@H]1COC(=O)N1 85187601 574007671 /nfs/dbraw/zinc/00/76/71/574007671.db2.gz GYXDFDILPDWPFH-ZETCQYMHSA-N 1 2 195.222 1.074 10 0 ADAELO CCn1c[nH+]cc1[C@H](O)C(F)(F)F 85185368 574007698 /nfs/dbraw/zinc/00/76/98/574007698.db2.gz UNMPZONOEZFEMP-LURJTMIESA-N 1 2 194.156 1.499 10 0 ADAELO C[NH2+][C@H](NN)c1ccc(C)c(C)c1C 259272485 574007932 /nfs/dbraw/zinc/00/79/32/574007932.db2.gz OVJSYXXWGFMHDO-LLVKDONJSA-N 1 2 193.294 1.293 10 0 ADAELO CC(C)n1c[nH+]cc1[C@H]1CNC(=O)O1 85189479 574008680 /nfs/dbraw/zinc/00/86/80/574008680.db2.gz NXTYAKKUPDSJKN-MRVPVSSYSA-N 1 2 195.222 1.245 10 0 ADAELO O=C1CC[N@H+](C[C@@H]2CCCS2)C1 87669446 574008729 /nfs/dbraw/zinc/00/87/29/574008729.db2.gz AHIYVONSSOVSRT-VIFPVBQESA-N 1 2 185.292 1.157 10 0 ADAELO O=C1CC[N@@H+](C[C@@H]2CCCS2)C1 87669446 574008733 /nfs/dbraw/zinc/00/87/33/574008733.db2.gz AHIYVONSSOVSRT-VIFPVBQESA-N 1 2 185.292 1.157 10 0 ADAELO CCn1c[nH+]cc1[C@H](O)C(C)C 85185051 574008260 /nfs/dbraw/zinc/00/82/60/574008260.db2.gz RMJFLATVXJBOJP-SECBINFHSA-N 1 2 168.240 1.592 10 0 ADAELO CCn1c[nH+]cc1[C@H]1C[C@@H](O)CCO1 85185568 574008313 /nfs/dbraw/zinc/00/83/13/574008313.db2.gz JIGHSQMTCDZOFB-WCBMZHEXSA-N 1 2 196.250 1.115 10 0 ADAELO CC(=O)[C@H]1C[C@H]1c1c[nH+]cn1C1CC1 85189760 574008322 /nfs/dbraw/zinc/00/83/22/574008322.db2.gz MNJBVIBHPMQCME-NXEZZACHSA-N 1 2 190.246 1.911 10 0 ADAELO CCn1c[nH+]cc1[C@H](O)C1CC1 85185150 574008342 /nfs/dbraw/zinc/00/83/42/574008342.db2.gz XNNFHUXCKVTKHE-SECBINFHSA-N 1 2 166.224 1.346 10 0 ADAELO CCn1c[nH+]cc1CNc1cn[nH]c1 85183151 574008369 /nfs/dbraw/zinc/00/83/69/574008369.db2.gz WXTYTFKQFQZVNE-UHFFFAOYSA-N 1 2 191.238 1.238 10 0 ADAELO CC[C@@H](O)c1c[nH+]cn1C(C)C 85188906 574008439 /nfs/dbraw/zinc/00/84/39/574008439.db2.gz JCCSJEMTOJBGNO-SECBINFHSA-N 1 2 168.240 1.907 10 0 ADAELO CC[C@H](O)c1c[nH+]cn1CC 85185013 574008450 /nfs/dbraw/zinc/00/84/50/574008450.db2.gz GENBQYMNOUXQFZ-QMMMGPOBSA-N 1 2 154.213 1.346 10 0 ADAELO CC(C)n1c[nH+]cc1[C@@H]1CC(=O)N1 85189412 574008474 /nfs/dbraw/zinc/00/84/74/574008474.db2.gz CSMUNMYMCPMDKP-ZETCQYMHSA-N 1 2 179.223 1.025 10 0 ADAELO CC(=O)[C@H]([NH3+])c1ccc(F)cc1F 104491135 574008503 /nfs/dbraw/zinc/00/85/03/574008503.db2.gz BDUDBRFUANESNV-VIFPVBQESA-N 1 2 185.173 1.554 10 0 ADAELO C[C@H]1C[NH2+]c2c(O)cccc2OC1 259272658 574008537 /nfs/dbraw/zinc/00/85/37/574008537.db2.gz PCDOSCVCBKLPAD-ZETCQYMHSA-N 1 2 179.219 1.833 10 0 ADAELO O=C1CC[N@H+](C[C@H]2CCCS2)C1 87669445 574008543 /nfs/dbraw/zinc/00/85/43/574008543.db2.gz AHIYVONSSOVSRT-SECBINFHSA-N 1 2 185.292 1.157 10 0 ADAELO O=C1CC[N@@H+](C[C@H]2CCCS2)C1 87669445 574008548 /nfs/dbraw/zinc/00/85/48/574008548.db2.gz AHIYVONSSOVSRT-SECBINFHSA-N 1 2 185.292 1.157 10 0 ADAELO CC(=O)[C@@H]1C[C@@H]1c1c[nH+]cn1C1CC1 85189754 574008563 /nfs/dbraw/zinc/00/85/63/574008563.db2.gz 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Cc1cc(C[NH2+][C@H]2CCC[C@@H]2F)no1 585386232 574020436 /nfs/dbraw/zinc/02/04/36/574020436.db2.gz WGKZMZPNYKSTCD-UWVGGRQHSA-N 1 2 198.241 1.963 10 0 ADAELO Cc1ocnc1C[NH2+][C@@H]1CCC[C@H]1F 585385601 574020443 /nfs/dbraw/zinc/02/04/43/574020443.db2.gz DKGMKODKEMZACH-RKDXNWHRSA-N 1 2 198.241 1.963 10 0 ADAELO C[N@H+](Cc1cocn1)[C@@H]1CCC[C@@H]1F 585386237 574020466 /nfs/dbraw/zinc/02/04/66/574020466.db2.gz WMOMGHURWJPFMJ-VHSXEESVSA-N 1 2 198.241 1.997 10 0 ADAELO C[N@@H+](Cc1cocn1)[C@@H]1CCC[C@@H]1F 585386237 574020468 /nfs/dbraw/zinc/02/04/68/574020468.db2.gz WMOMGHURWJPFMJ-VHSXEESVSA-N 1 2 198.241 1.997 10 0 ADAELO Cc1noc(C[NH2+][C@H]2CCC[C@H]2F)n1 585386293 574020537 /nfs/dbraw/zinc/02/05/37/574020537.db2.gz XSIMYRPHDPKQGL-SFYZADRCSA-N 1 2 199.229 1.358 10 0 ADAELO COC(=[NH2+])[C@H]1CCCCS1 87714803 574020565 /nfs/dbraw/zinc/02/05/65/574020565.db2.gz KQLBXPNFIBKLSP-ZCFIWIBFSA-N 1 2 159.254 1.896 10 0 ADAELO F[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH]cn1 585385832 574020637 /nfs/dbraw/zinc/02/06/37/574020637.db2.gz HZYROWQWAOKCTD-RKDXNWHRSA-N 1 2 183.230 1.390 10 0 ADAELO N#CN1CC=[NH+]C=C1c1ccccc1 104506905 574020656 /nfs/dbraw/zinc/02/06/56/574020656.db2.gz BDQZLVQSMJQVLR-UHFFFAOYSA-N 1 2 183.214 1.852 10 0 ADAELO Cc1noc(C[NH2+][C@H]2CCC[C@@H]2F)n1 585386294 574020697 /nfs/dbraw/zinc/02/06/97/574020697.db2.gz XSIMYRPHDPKQGL-YUMQZZPRSA-N 1 2 199.229 1.358 10 0 ADAELO C[N@H+](Cc1cocn1)[C@H]1CCC[C@H]1F 585386238 574020756 /nfs/dbraw/zinc/02/07/56/574020756.db2.gz WMOMGHURWJPFMJ-ZJUUUORDSA-N 1 2 198.241 1.997 10 0 ADAELO C[N@@H+](Cc1cocn1)[C@H]1CCC[C@H]1F 585386238 574020758 /nfs/dbraw/zinc/02/07/58/574020758.db2.gz WMOMGHURWJPFMJ-ZJUUUORDSA-N 1 2 198.241 1.997 10 0 ADAELO CCOC(=[NH2+])[C@H]1CCCS1 87714814 574020964 /nfs/dbraw/zinc/02/09/64/574020964.db2.gz PCBAOORJPWGOAU-ZCFIWIBFSA-N 1 2 159.254 1.896 10 0 ADAELO Cc1ocnc1C[NH2+][C@@H]1CCC[C@@H]1F 585385599 574020979 /nfs/dbraw/zinc/02/09/79/574020979.db2.gz DKGMKODKEMZACH-DTWKUNHWSA-N 1 2 198.241 1.963 10 0 ADAELO [NH3+]Cc1n[nH]c([C@@H]2CCCCS2)n1 87716457 574020989 /nfs/dbraw/zinc/02/09/89/574020989.db2.gz FGVMAIAQSNQCEW-LURJTMIESA-N 1 2 198.295 1.222 10 0 ADAELO [NH3+][C@@H]1CCOc2cc(S)ccc21 104514304 574023533 /nfs/dbraw/zinc/02/35/33/574023533.db2.gz VKRPEQFHNLUHKM-MRVPVSSYSA-N 1 2 181.260 1.758 10 0 ADAELO C[C@@H](O)c1ccn2cc[nH+]c2c1 143745277 574032510 /nfs/dbraw/zinc/03/25/10/574032510.db2.gz ITVWJRBUPUDWQA-SSDOTTSWSA-N 1 2 162.192 1.388 10 0 ADAELO C[C@H](O)c1ccn2cc[nH+]c2c1 143745471 574032569 /nfs/dbraw/zinc/03/25/69/574032569.db2.gz ITVWJRBUPUDWQA-ZETCQYMHSA-N 1 2 162.192 1.388 10 0 ADAELO c1cncc([C@H]2[NH2+]CCCS2)c1 85314800 574032926 /nfs/dbraw/zinc/03/29/26/574032926.db2.gz MRXPXTMVDBCUCE-VIFPVBQESA-N 1 2 180.276 1.807 10 0 ADAELO c1ccc([C@@H]2[NH2+]CCCS2)nc1 85314769 574032939 /nfs/dbraw/zinc/03/29/39/574032939.db2.gz MUTMGOHLAZJVGK-SECBINFHSA-N 1 2 180.276 1.807 10 0 ADAELO Cc1cc([NH2+][C@H]2CCOC2)ccc1N 87783364 574033097 /nfs/dbraw/zinc/03/30/97/574033097.db2.gz 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574033358 /nfs/dbraw/zinc/03/33/58/574033358.db2.gz HAQHZFYOFASTCV-MRVPVSSYSA-N 1 2 181.264 1.202 10 0 ADAELO C(=Cc1c[nH]c[nH+]1)c1ccon1 143800768 574033467 /nfs/dbraw/zinc/03/34/67/574033467.db2.gz QXOTZNZWZDTSHM-OWOJBTEDSA-N 1 2 161.164 1.568 10 0 ADAELO CCn1cncc1[C@@H]1[NH2+]CCCS1 85314729 574033489 /nfs/dbraw/zinc/03/34/89/574033489.db2.gz GMKZUUYKRWXZSI-SECBINFHSA-N 1 2 197.307 1.628 10 0 ADAELO Cn1cncc1[C@H]1[NH2+]CCCS1 85314758 574033574 /nfs/dbraw/zinc/03/35/74/574033574.db2.gz ZNQWNHNDLMMUFW-QMMMGPOBSA-N 1 2 183.280 1.145 10 0 ADAELO Cn1cc([C@H]2[NH2+]CCCS2)cn1 85314866 574033666 /nfs/dbraw/zinc/03/36/66/574033666.db2.gz LJRQGTZDNUYCDN-QMMMGPOBSA-N 1 2 183.280 1.145 10 0 ADAELO COC(=O)[C@H]([NH2+]C1CC1)C1(C)CCC1 686133510 574033677 /nfs/dbraw/zinc/03/36/77/574033677.db2.gz MTEGKOWPPJHKAM-VIFPVBQESA-N 1 2 197.278 1.470 10 0 ADAELO O=[S@]1CCC[NH2+][C@@H](c2ccco2)C1 85315500 574033764 /nfs/dbraw/zinc/03/37/64/574033764.db2.gz QCGXAYNKHBCNLG-AMIZOPFISA-N 1 2 199.275 1.063 10 0 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/nfs/dbraw/zinc/89/44/15/629894415.db2.gz HFCYPYVVSWGICV-UHFFFAOYSA-N 1 2 168.240 1.436 10 0 ADAELO C[C@H]1CCC(=O)C[N@@H+]1CCCCC#N 167942809 629967030 /nfs/dbraw/zinc/96/70/30/629967030.db2.gz YHZYGZJGNBEFOL-JTQLQIEISA-N 1 2 194.278 1.734 10 0 ADAELO C[C@H]1CCC(=O)C[N@H+]1CCCCC#N 167942809 629967097 /nfs/dbraw/zinc/96/70/97/629967097.db2.gz YHZYGZJGNBEFOL-JTQLQIEISA-N 1 2 194.278 1.734 10 0 ADAELO C[C@@H]1CCC(=O)C[N@@H+]1CCCCC#N 167942697 629969051 /nfs/dbraw/zinc/96/90/51/629969051.db2.gz YHZYGZJGNBEFOL-SNVBAGLBSA-N 1 2 194.278 1.734 10 0 ADAELO C[C@@H]1CCC(=O)C[N@H+]1CCCCC#N 167942697 629969058 /nfs/dbraw/zinc/96/90/58/629969058.db2.gz YHZYGZJGNBEFOL-SNVBAGLBSA-N 1 2 194.278 1.734 10 0 ADAELO C[C@H]1COC[C@@H](C)[N@@H+]1C/C=C\Cl 307960470 629973514 /nfs/dbraw/zinc/97/35/14/629973514.db2.gz WFNZVMJOCYEBBM-GPCGZLNTSA-N 1 2 189.686 1.848 10 0 ADAELO C[C@H]1COC[C@@H](C)[N@H+]1C/C=C\Cl 307960470 629973521 /nfs/dbraw/zinc/97/35/21/629973521.db2.gz WFNZVMJOCYEBBM-GPCGZLNTSA-N 1 2 189.686 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C[C@@H]1CC[N@H+](CCF)C[C@H]1F 307400890 630163717 /nfs/dbraw/zinc/16/37/17/630163717.db2.gz HRYCDZGYFJHLCU-HTQZYQBOSA-N 1 2 163.211 1.636 10 0 ADAELO C[C@@H]1CC[N@@H+](CCF)C[C@H]1F 307400890 630163721 /nfs/dbraw/zinc/16/37/21/630163721.db2.gz HRYCDZGYFJHLCU-HTQZYQBOSA-N 1 2 163.211 1.636 10 0 ADAELO C[C@H]1CC[N@H+](CCF)C[C@@H]1F 307400908 630165344 /nfs/dbraw/zinc/16/53/44/630165344.db2.gz HRYCDZGYFJHLCU-YUMQZZPRSA-N 1 2 163.211 1.636 10 0 ADAELO C[C@H]1CC[N@@H+](CCF)C[C@@H]1F 307400908 630165347 /nfs/dbraw/zinc/16/53/47/630165347.db2.gz HRYCDZGYFJHLCU-YUMQZZPRSA-N 1 2 163.211 1.636 10 0 ADAELO C[C@H]([NH2+][C@H]1COCC1(C)C)C(F)F 307435043 630166830 /nfs/dbraw/zinc/16/68/30/630166830.db2.gz NEGNACJBWYOURQ-BQBZGAKWSA-N 1 2 193.237 1.655 10 0 ADAELO C[C@H]([NH2+][C@@H]1COCC1(C)C)C(F)F 307435044 630167514 /nfs/dbraw/zinc/16/75/14/630167514.db2.gz NEGNACJBWYOURQ-NKWVEPMBSA-N 1 2 193.237 1.655 10 0 ADAELO CC(C)C1([NH2+][C@@H]2CCOC2=O)CC1 307474047 630168567 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